SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_014448327.1 NCBI__GCF_000284315.1:WP_014448327.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

8rplB Amp-forming acetyl-coa synthetase from chloroflexota bacterium with bound acetyl amp (see paper)
49% identity, 98% coverage: 11:630/634 of query aligns to 1:630/630 of 8rplB

query
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8rplB

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binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate: G391 (= G392), E392 (= E393), P393 (= P394), T416 (= T416), W417 (= W417), W418 (= W418), Q419 (= Q419), T420 (= T420), D502 (= D502), R517 (= R517), K523 (= K523), R528 (= R528)
binding magnesium ion: V539 (= V539), H541 (= H541)

Q89WV5 Acetyl-coenzyme A synthetase; AcCoA synthetase; Acs; Acetate--CoA ligase; Acyl-activating enzyme; EC 6.2.1.1 from Bradyrhizobium diazoefficiens (strain JCM 10833 / BCRC 13528 / IAM 13628 / NBRC 14792 / USDA 110) (see paper)
45% identity, 95% coverage: 30:634/634 of query aligns to 21:631/648 of Q89WV5

query
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Q89WV5

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G263 (= G271) mutation to I: Loss of activity.
G266 (= G274) mutation to I: Great decrease in activity.
K269 (= K277) mutation to G: Great decrease in activity.
E414 (= E421) mutation to Q: Great decrease in activity.

P27550 Acetyl-coenzyme A synthetase; AcCoA synthetase; Acs; Acetate--CoA ligase; Acyl-activating enzyme; EC 6.2.1.1 from Escherichia coli (strain K12) (see paper)
44% identity, 95% coverage: 32:634/634 of query aligns to 24:634/652 of P27550

query
sites
P27550

Y

Y

Q

E

T

A

I

M

Y

Y

D

Q

E

Q

S

S

I

I

R

N

D

V

P

P

E

D

Q

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F

F

W

W

G

G

K

E

I

Q

A

G

E

K

D

I

F

L

R

D

W

W

S

I

R

K

K

P

W

Y

D

Q

R

K

V

V

L

K

D

N

-

T

-

S

W

F

N

A

P

P

K

G

T

N

Y

V

E

S

A

I

R

K

W

W

F

Y

S

E

G

D

S

G

L

T

S

L

N

N

I

L

T

A

T

A

N

N

M

C

L

L

D

D

R

R

H

H

I

L

D

Q

E

E

G

N

L

-

S

G

N

D

K

R

V

T

A

A

L

I

I

I

A

W

V

E

A

G

D

D

D

D

G

A

S

S

E

Q

R

S

V

K

Y

H

-

I

T

S

Y

Y

G

K

R

E

I

L

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H

D

R

E

D

T

V

N

C

R

R

L

F

C

A

H

N

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F

L

A

L

E

E

M

L

G

G

L

I

K

K

K

K

G

G

D

D

R

V

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T

A

I

I

F

Y

L

M

P

P

P

M

T

V

P

P

E

E

Q

A

V

A

I

V

S

A

M

M

I

L

A

A

C

C

A

A

R

R

S

I

G

G

L

A

V

V

H

H

T

S

V

V

V

I

F

F

S

G

G

G

F

F

S

S

A

P

G

E

A

A

L

V

K

A

S

G

R

R

M

I

E

I

D

D

S

S

E

N

P

S

R

R

L

L

L

V

I

I

T

T

A

S

D

D

C

E

A

G

Y

V

R

R

R

A

G

G

K

R

R

S

I

I

A

P

L

L

L

K

D

K

T

N

A

V

R

D

E

D

A

A

K

L

K

K

A

N

-

P

-

N

I

V

T

T

S

S

L

V

E

E

K

H

T

V

I

V

V

V

I

L

R

K

R

R

E

T

N

G

P

G

D

K

L

I

E

D

L

W

E

Q

T

E

G

G

E

R

I

D

P

L

F

W

D

W

S

H

L

D

L

L

K

V

K

E

H

Q

A

A

S

S

S

D

G

Q

F

H

F

-

K

Q

A

A

V

E

D

E

C

M

T

N

T

A

D

E

D

D

P

P

L

L

F

F

I

I

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

K

P

P

K

K

G

G

I

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V

L

H

H

T

T

H

T

P

G

G

G

Y

Y

M

L

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V

G

Y

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A

F

A

L

L

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T

T

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R

K

W

Y

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V

F

F

N

D

I

Y

H

H

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P

D

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D

D

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I

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Y

F

W

C

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T

A

A

D

D

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V

G

G

W

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T

G

G

H

H

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S

Y

Y

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L

Y

Y

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G

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P

L

L

L

A

N

C

G

G

A

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T

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T

L

L

L

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A

F

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E

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P

D

N

Y

W

P

P

D

T

P

P

G

A

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R

W

M

W

A

H

Q

L

V

V

V

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D

K

K

Y

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N

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L

Y

Y

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T

A

P

P

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A

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L

L

R

R

L

I

L

L

G

G

S

S

V

V

G

G

E

E

P

P

I

I

N

N

P

P

E

E

A

A

W

W

L

E

W

W

F

Y

-

W

R

K

E

K

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G

G

N

G

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K

L

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P

P

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M

V

D

D

T

T

W

W

W

W

Q

Q

T

T

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T

G

G

M

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

V

A

P

T

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E

L

L

V

K

P

A

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G

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S

A

A

T

T

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R

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F

P

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G

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V

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A

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D

A

V

L

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N

D

R

N

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N

S

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L

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G

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W

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A

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L

Y

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G

D

D

P

H

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Y

F

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K

Q

-

T

Y

Y

W

F

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I

F

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K

G

N

V

M

Y

Y

F

F

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S

G

G

D

D

S

G

A

A

K

R

R

R

D

D

H

E

H

D

G

G

L

Y

F

Y

H

W

M

I

I

T

G

G

R

R

V

V

D

D

D

D

V

V

I

L

K

N

V

V

A

S

G

G

H

H

R

R

L

L

G

G

T

T

A

A

E

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V

I

E

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S

A

A

L

L

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S

A

H

H

P

P

C

K

V

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A

E

E

A

A

A

A

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P

D

H

E

N

L

I

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K

G

G

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V

A

I

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Y

A

A

F

Y

V

V

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T

L

L

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N

K

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D

G

A

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T

S

P

P

D

E

L

L

E

Y

L

A

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R

Q

N

H

W

V

V

R

R

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K

E

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G

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A

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T

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D

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I

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D

W

S

L

L

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P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

I

E

A

L

A

G

G

L

D

P

T

E

S

-

N

-

L

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G

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A

D

D

K609 (= K611) modified: N6-acetyllysine; by autocatalysis

5jrhA Crystal structure of salmonella enterica acetyl-coa synthetase (acs) in complex with camp and coenzyme a (see paper)
45% identity, 95% coverage: 32:634/634 of query aligns to 20:627/640 of 5jrhA

query
sites
5jrhA

Y

Y

Q

E

T

T

I

K

Y

Y

D

K

E

Q

S

S

I

I

R

N

D

D

P

P

E

D

Q

T

F

F

W

W

G

G

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E

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A

G

E

K

D

I

F

L

R

D

W

W

S

I

R

T

K

P

W

Y

D

Q

R

K

V

V

L

K

D

N

-

T

-

S

W

F

N

A

P

P

K

G

T

N

Y

V

E

S

A

I

R

K

W

W

F

Y

S

E

G

D

S

G

L

T

S

L

N

N

I

L

T

A

T

A

N

N

M

C

L

L

D

D

R

R

H

H

I

L

D

Q

E

E

G

N

L

-

S

G

N

D

K

R

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T

A

A

L

I

I

I

A
x
W

V

E

A

G

D

D

D

D

G

T

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S

E

Q

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K

Y

H

-

I

T

S

Y

Y

G

R

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E

I

L

M

H

D

R

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D

T

V

N

C

R

R

L

F

C

A

H

N

S

T

F

L

A

L

E

D

M

L

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G

L

I

K

K

K

K

G

G

D

D

R

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V

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T

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I

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F

Y

L

M

P

P

P

M

T

V

P

P

E
|
E

Q

A

V

A

I

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S

A

M

M

I

L

A

A

C

C

A

A

R

R

S

I

G

G

L

A

V

V

H

H

T

S

V

V

V

I

F
|
F

S
x
G

G
|
G

F

F

S

S

A

P

G

E

A

A

L

V

K

A

S
x
G

R

R

M

I

E

I

D

D

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S

P

S

R

R

L

L

L

V

I

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A

A

D

D

C

E

A

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Y

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R
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R

R

A

G

G

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R

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I

I

A

P

L

L

L

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D

K

T

N

A

V

R

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E

D

A

A

K

L

K

K

A

N

-

P

-

N

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K

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F

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D

L

L

L

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K

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K

K

H

A

A

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S

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S

E

G

H

F

Q

F

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K

E

A

A

V

M

D

N

C

A

T

-

T

-

D

E

D

D

P

P

L

L

F

F

I

I

L

L

Y

Y

T
|
T

S

S

G

G

T

S

T

T

G

G

K
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K

P
|
P

K

K

G

G

I

V

V

L

H

H

T

T

H

T

P

G

G

G

Y

Y

M

L

V

V

G

Y

T

A

F

A

L

T

T

T

T

F

R

K

W

Y

V

V

F

F

N

D

I

Y

H

H

N

P

D

G

D

D

V

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F

Y

F

W

C

C

V

T

A

A

D

D

P

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G

G

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W

I

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T

G

G

H

H

S

S

Y

Y

I

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L

Y

Y

G

G

P

P

L

L

L

A

N

C

G

G

A

A

T

T

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T

L

L

L

M

A

F

E

E

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G

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V

P

P

D

N

Y

W

P

P

D

T

P

P

G

A

R

R

W

M

W

C

H

Q

L

V

V

V

E

D

K

K

Y

H

R

Q

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N

V

I

F

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Y

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T

A

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T

A

A

I

I

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A

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R

A

L

E

G

G

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D

Q

K

W

A

P

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K

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D

L

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S

L

L

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R

L

I

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

N

P

P

E

E

A

A

W

W

L

E

W

W

F

Y

-

W

R

K

E

K

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G

G

K

G

E

R

K

L

C

P

P

I

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M

V

D

D

T
|
T

W
|
W

W
|
W

Q
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Q

T
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T

E
|
E

T

T

G

G

M

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

-

A

V

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L

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A

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S

A

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R

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N

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Y

Y

F

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|
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S

G

A

A

K

R

R

R

D

D

H

E

H

D

G

G

L

Y

F

Y

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W

M
x
I

I

T

G

G

R

R

V

V

D

D

D

D

V

V

I

L

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x
N

V

V

A
x
S

G

G

H

H

R
|
R

L

L

G

G

T

T

A

A

E

E

V

I

E

E

S

S

A

A

L

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V
|
V

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H
|
H

P

P

C

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V
x
I

S

A

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

P

D

H

E

A

L

I

K

K

G

G

E

Q

V

A

I

I

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Y

A

A

F

Y

V

V

I

T

L

L

R

N

K

H

D

G

A

E

E

E

R

P

T

S

P

P

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E

L

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E

Y

L

A

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R

Q

N

H

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V

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R
|
R

E

K

E

E

L

I

G

G

A
x
P

I

L

A

A

M

T

P

P

D

D

E

V

I

L

E

H

I

W

T

T

E

D

W

S

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

I

E

A

L

A

G

G

L

-

P

D

E

L

G

G

D

D

T

T

S

S

T

T

L

L

E

A

D

D

active site: T260 (= T269), T412 (= T420), E413 (= E421), N517 (≠ K523), R522 (= R528), K605 (= K611)
binding (r,r)-2,3-butanediol: W93 (≠ A104), E140 (= E150), G169 (≠ S179), K266 (= K275), P267 (= P276)
binding adenosine-3',5'-cyclic-monophosphate: G383 (= G392), E384 (= E393), P385 (= P394), T408 (= T416), W409 (= W417), W410 (= W418), Q411 (= Q419), T412 (= T420), D496 (= D502), I508 (≠ M514), N517 (≠ K523), R522 (= R528)
binding coenzyme a: F159 (= F169), G160 (≠ S170), G161 (= G171), R187 (= R197), S519 (≠ A525), R580 (= R586), P585 (≠ A591)
binding magnesium ion: V533 (= V539), H535 (= H541), I538 (≠ V544)

2p20A Acetyl-coa synthetase, r584a mutation (see paper)
44% identity, 95% coverage: 32:634/634 of query aligns to 20:628/641 of 2p20A

query
sites
2p20A

Y

Y

Q

E

T

T

I

K

Y

Y

D

K

E

Q

S

S

I

I

R

N

D

D

P

P

E

D

Q

T

F

F

W

W

G

G

K

E

I

Q

A

G

E

K

D

I

F

L

R

D

W

W

S

I

R

T

K

P

W

Y

D

Q

R

K

V

V

L

K

D

N

-

T

-

S

W

F

N

A

P

P

K

G

T

N

Y

V

E

S

A

I

R

K

W

W

F

Y

S

E

G

D

S

G

L

T

S

L

N

N

I

L

T

A

T

A

N

N

M

C

L

L

D

D

R

R

H

H

I

L

D

Q

E

E

G

N

L

-

S

G

N

D

K

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A

A

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I

I

I

A

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A

G

D

D

D

D

G

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Y

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I

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Y

Y

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M

H

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N

C

R

R

L

F

C

A

H

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L

A

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D

M

L

G

G

L

I

K

K

K

K

G

G

D

D

R

V

V

V

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A

I

I

F

Y

L

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P

P

P

M

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V

P

P

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E

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A

V

A

I

V

S

A

M

M

I

L

A

A

C

C

A

A

R

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I

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G

L

A

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V

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H

T

S

V

V

V

I

F

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A

A

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L

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A

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G

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I

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L

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N

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N

-

P

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L

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N

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A

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-

T

-

D

E

D

D

P

P

L

L

F

F

I

I

L

L

Y

Y

T
|
T

S

S

G

G

T

S

T

T

G

G

K

K

P

P

K

K

G

G

I

V

V

L

H

H

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H

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Y

Y

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D

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H

H

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D

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I

F

Y

F

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C

C

V

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A

A

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D

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G

G

W

W

I

V

T

T

G

G

H

H

S

S

Y

Y

I

L

V

L

Y

Y

G

G

P

P

L

L

L

A

N

C

G

G

A

A

T

T

V

T

L

L

L

M

A

F

E

E

G

G

S

V

P

P

D

N

Y

W

P

P

D

T

P

P

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A

R

R

W

M

W

C

H

Q

L

V

V

V

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K

K

Y

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V

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N

V

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L

Y

Y

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T

A

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P

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T

A

A

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I

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R

L

A

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L

M

M

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A

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I

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G

Y

T

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D

L

R

S

S

S

S

L

L

R

R

L

I

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

N

P

P

E

E

A

A

W

W

L

E

W

W

F

Y

-

W

R

K

E

K

V

I

T

G

G

K

G

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K

L

C

P

P

I

V

M

V

D

D

T
|
T

W
|
W

W
|
W

Q
|
Q

T
|
T

E
|
E

T

T

G

G

M

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

-

A

V

I

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L

L

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K

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A

G

G

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S

A

A

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R

P

P

F

F

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F

G

G

V

V

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A

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D

A

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L

V

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N

D

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N

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G

G

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H

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G

A

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N

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W

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Y

Y

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F

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N

V

M

Y

Y

F

F

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S

G

G

D
|
D

S

G

A

A

K

R

R

R

D

D

H

E

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

T

G

G

R
|
R

V

V

D

D

D

D

V

V

I

L

K
x
N

V

V

A

S

G

G

H

H

R
|
R

L

L

G

G

T

T

A

A

E

E

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I

E

E

S

S

A

A

L

L

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V

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A

H

H

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P

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A

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V

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G

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K

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G

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V

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L

L

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N

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L

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L

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H

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W

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L

L

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P

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T

R

R

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S

G

G

K
|
K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

I

E

A

L

A

G

G

L

D

P

T

E

S

G

N

D

D

T

T

S

S

T

T

L

L

E

A

D

D

active site: T260 (= T269), T412 (= T420), E413 (= E421), N517 (≠ K523), R522 (= R528), K605 (= K611)
binding adenosine-5'-monophosphate-propyl ester: G383 (= G392), E384 (= E393), P385 (= P394), T408 (= T416), W409 (= W417), W410 (= W418), Q411 (= Q419), T412 (= T420), D496 (= D502), I508 (≠ M514), R511 (= R517), R522 (= R528)

Q8ZKF6 Acetyl-coenzyme A synthetase; AcCoA synthetase; Acs; Acetate--CoA ligase; Acyl-activating enzyme; EC 6.2.1.1 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see 4 papers)
44% identity, 95% coverage: 32:634/634 of query aligns to 24:634/652 of Q8ZKF6

query
sites
Q8ZKF6

Y

Y

Q

E

T

T

I

K

Y

Y

D

K

E

Q

S

S

I

I

R

N

D

D

P

P

E

D

Q

T

F

F

W

W

G

G

K

E

I

Q

A

G

E

K

D

I

F

L

R

D

W

W

S

I

R

T

K

P

W

Y

D

Q

R

K

V

V

L

K

D

N

-

T

-

S

W

F

N

A

P

P

K

G

T

N

Y

V

E

S

A

I

R

K

W

W

F

Y

S

E

G

D

S

G

L

T

S

L

N

N

I

L

T

A

T

A

N

N

M

C

L

L

D

D

R

R

H

H

I

L

D

Q

E

E

G

N

L

-

S

G

N

D

K

R

V

T

A

A

L

I

I

I

A

W

V

E

A

G

D

D

D

D

G

T

S

S

E

Q

R

S

V

K

Y

H

-

I

T

S

Y

Y

G

R

R

E

I

L

M

H

D

R

E

D

T

V

N

C

R

R

L

F

C

A

H

N

S

T

F

L

A

L

E

D

M

L

G

G

L

I

K

K

K

K

G

G

D

D

R

V

V

V

T

A

I

I

F

Y

L

M

P

P

P

M

T

V

P

P

E

E

Q

A

V

A

I

V

S

A

M

M

I

L

A

A

C

C

A

A

R

R

S

I

G

G

L

A

V

V

H

H

T

S

V

V

V

I

F

F

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G

G

G

F

F

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S

A

P

G

E

A

A

L

V

K

A

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G

R

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M

I

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I

D

D

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P

S

R

R

L

L

L

V

I

I

T

T

A

A

D

D

C

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A

G

Y

V

R

R

R

A

G

G

K
x
R

R

S

I

I

A

P

L

L

L

K

D

K

T

N

A

V

R

D

E

D

A

A

K

L

K

K

A

N

-

P

-

N

I

V

T

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S

S

L

V

E

E

K

H

T

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I

I

V

V

I

L

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K

R

R

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T

N

G

P

S

D

D

L

I

E

D

L

W

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Q

T

E

G

G

-

R

E

D

I

L

P

W

F

W

D

R

S

D

L

L

L

I

K

E

K

K

H

A

A

S

S

P

S

E

G

H

F

Q

F

P

K

E

A

A

V

M

D

N

C

A

T

-

T

-

D

E

D

D

P

P

L

L

F

F

I

I

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

K

P

P

K

K

G

G

I

V

V

L

H

H

T

T

H

T

P

G

G

G

Y

Y

M

L

V

V

G

Y

T

A

F

A

L

T

T

T

T

F

R

K

W

Y

V

V

F

F

N

D

I

Y

H

H

N

P

D

G

D

D

V

I

F

Y

F

W

C

C

V

T

A

A

D

D

P

V

G

G

W

W

I

V

T
|
T

G

G

H

H

S

S

Y

Y

I

L

V

L

Y

Y

G

G

P

P

L

L

L

A

N

C

G

G

A

A

T

T

V

T

L

L

L

M

A

F

E

E

G

G

S

V

P

P

D
x
N

Y

W

P

P

D

T

P

P

G

A

R

R

W

M

W

C

H

Q

L

V

V

V

E

D

K

K

Y

H

R

Q

V

V

T

N

V

I

F

L

Y

Y

S

T

T
x
A

P

P

T

T

A

A

I

I

R

R

L

A

Q

L

M

M

R

A

L

E

G

G

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D

Q

K

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A

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I

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E

K

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Y

T

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D

L

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S

S

S

L

L

R

R

L

I

L

L

G

G

S

S

V

V

G

G

E

E

P

P

I

I

N

N

P

P

E

E

A

A

W

W

L

E

W

W

F

Y

-

W

R

K

E

K

V

I

T

G

G

K

G

E

R

K

L

C

P

P

I

V

M

V

D

D

T

T

W

W

W

W

Q

Q

T

T

E

E

T

T

G

G

M

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

-

A

V

I

P

E

L

L

V

K

P

A

G

G

S

S

A

A

T

T

R

R

P

P

F

F

P

F

G

G

V

V

V

Q

A

P

D

A

V

L

V

V

N

D

R

N

Q

E

G

G

E

H

S

P

V

Q

A

E

P

G

G

A

E

T

A

E

G

G

F

N

V

L

I

V

V

I

R

T

Q

D

P

S

W

W

P

P

S

G

M

Q

F

A

R

R

T

T

V

L

Y

F

G

G

D

D

P

H

E

E

R

R

Y

F

R

E

K

Q

-

T

Y

Y

W

F

E

S

E

T

I

F

P

K

G

N

V

M

Y

Y

F

F

S

S

G

G

D

D

S

G

A

A

K

R

R

R

D

D

H

E

H

D

G

G

L

Y

F

Y

H

W

M

I

I

T

G

G

R

R

V

V

D
|
D

D

D

V

V

I

L

K

N

V

V

A
x
S

G
|
G

H

H

R
|
R

L

L

G

G

T

T

A

A

E

E

V

I

E

E

S

S

A

A

L

L

V

V

S

A

H

H

P

P

C

K

V

I

S

A

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

P

D

H

E

A

L

I

K

K

G

G

E

Q

V

A

I

I

K

Y

A

A

F

Y

V

V

I

T

L

L

R

N

K

H

D

G

A

E

E

E

R

P

T

S

P

P

D

E

L

L

E

Y

L

A

R

E

I

V

R

R

Q

N

H

W

V

V

R
|
R

E

K

E

E

L

I

G

G

A

P

I

L

A

A

M

T

P

P

D

D

E

V

I

L

E

H

I

W

T

T

E

D

W

S

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

I

E

A

L

A

G

G

L

D

P

T

E

S

-

N

-

L

G

G

D

D

T

T

S

S

T

T

L

L

E

A

D

D

R194 (≠ K200) mutation to A: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 2-fold increase in the affinity for ATP and 3-fold reduction for CoA.; mutation to E: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 2-fold increase in the affinity for ATP and 2-fold reduction for CoA.
T311 (= T316) binding CoA
N335 (≠ D340) binding CoA
A357 (≠ T362) mutation to V: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 3-fold increase in the affinity for ATP and 3-fold reduction for CoA.
D517 (= D519) mutation to G: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 2-fold increase in the affinity for ATP and 10-fold reduction for CoA.; mutation to P: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 3-fold reduction in the affinity for ATP and 4.5-fold reduction for CoA.
S523 (≠ A525) binding CoA
G524 (= G526) mutation to L: No acetyl-coenzyme A synthetase activity.; mutation to S: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. Almost the same affinity as the wild-type for ATP, but 9-fold reduction in the affinity for CoA.
R526 (= R528) mutation to A: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 3-fold increase in the affinity for ATP and 4-fold reduction for CoA.
R584 (= R586) binding CoA; mutation to A: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 2-fold increase in the affinity for ATP and 7-fold reduction for CoA.; mutation to E: Results in a 2-fold reduction in the catalytic efficiency for both ATP and CoA. 3-fold increase in the affinity for ATP and 8-fold reduction for CoA.
K609 (= K611) modified: N6-acetyllysine; by Pat; mutation to A: No acetyl-coenzyme A synthetase activity.

P9WQD1 Acetyl-coenzyme A synthetase; AcCoA synthetase; Acs; Acetate--CoA ligase; Acyl-activating enzyme; EC 6.2.1.1 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
45% identity, 96% coverage: 28:634/634 of query aligns to 21:640/651 of P9WQD1

query
sites
P9WQD1

H

H

V

A

S

N

D

A

Y

R

Q

A

T

E

I

L

Y

Y

D

R

E

E

S

A

I

E

R

E

D

D

P

R

E

L

Q

A

F

F

W

W

G

A

K

K

I

Q

A

A

E

N

D

R

F

L

R

S

W

W

S

T

R

T

K

P

W

F

D

T

R

E

V

V

L

L

D

D

W

W

N

S

P

G

K

A

T

P

Y

F

E

-

A

A

R

K

W

W

F

F

S

V

G

G

S

G

L

E

S

L

N

N

I

V

T

A

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

V

D

E

E

A

G

G

L

H

S

G

N

D

K

R

V

V

A

A

L

I

I

H

A

W

V

E

A

G

D

E

D

P

-

V

G

G

S

D

E

R

R

R

V

T

Y

L

T

T

Y

Y

G

S

R

D

I

L

M

L

D

A

E

E

T

V

N

S

R

K

L

A

C

A

H

N

S

A

F

L

A

T

E

D

M

L

G

G

L

L

K

V

K

A

G

G

D

D

R

R

V

V

T

A

I

I

F

Y

L

L

P

P

P

L

T

I

P

P

E

E

Q

A

V

V

I

I

S

A

M

M

I

L

A

A

C

C

A

A

R

R

S

L

G

G

L

I

V

M

H

H

T

S

V

V

V

V

F

F

S

G

G

G

F

F

S

T

A

A

G

A

A

A

L

L

K

Q

S

A

R

R

M

I

E

V

D

D

S

A

E

Q

P

A

R

K

L

L

L

L

I

I

T

T

A

A

D

D

C

G

A

Q

Y

F

R

R

R

R

G

G

K

K

R

P

I

S

A

P

L

L

L

K

D

A

T

A

A

A

R

D

E

E

A

A

K

L

K

A

A

A

I

I

-

P

-

D

T

C

S

S

L

V

E

E

K

H

T

V

I

L

V

V

I

V

R

R

R

R

E

T

N

G

P

I

D

E

L

M

E

A

L

W

E

S

T

E

G

G

-

R

E

D

I

L

P

W

F

W

D

H

S

H

L

V

L

V

K

G

K

S

H

A

A

S

S

P

S

A

G

H

F

T

F

P

K

E

A

P

V

F

D

D

C

-

T

-

T

S

D

E

D

H

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

T

T

T

G

G

K

K

P

P

K

K

G

G

I

I

V

M

H

H

T

T

H

S

P

G

G

G

Y

Y

M

L

V

T

G

Q

T

C

F

C

L

Y

T

T

T

M

R

R

W

T

V

I

F

F

N

D

I

V

H

K

N

P

D

D

-

S

D

D

V

V

F

F

F

W

C

C

V

T

A

A

D

D

P

I

G

G

W

W

I

V

T

T

G

G

H

H

S

T

Y

Y

I

G

V

V

Y

Y

G

G

P

P

L

L

L

C

N

N

G

G

A

V

T

T

V

E

L

V

L

L

A

Y

E

E

G

G

S

T

P

P

D

D

Y

T

P

P

D

D

P

R

G

H

R

R

W

H

W

F

H

Q

L

I

V

I

E

E

K

K

Y

Y

R

G

V

V

T

T

V

I

F

Y

Y

Y

S

T

T

A

P

P

T

T

A

L

I

I

R

R

L

M

Q

F

M

M

R

K

L

W

G

G

K

R

Q

E

W

I

P

P

E

D

K

S

Y

H

D

D

L

L

S

S

S

S

L

L

R

R

L

L

L

L

G

G

S

S

V

V

G

G

E

E

P

P

I

I

N

N

P

P

E

E

A

A

W

W

L

R

W

W

F

Y

R

R

E

D

V

V

T

I

-

G

G

G

G

G

R

R

L

T

P

P

I

L

M

V

D

D

T

T

W

W

W

W

Q

Q

T

T

E

E

T

T

G

G

M

S

H

A

M

M

I

I

T

S

P

P

L

L

P

P

G

G

V

I

P

A

L

A

V

A

-

K

P

P

G

G

S

S

A

A

T

M

R

T

P

P

F

L

P

P

G

G

V

I

V

S

A

A

D

K

V

I

V

V

N

D

R

D

Q

H

G

G

E

D

S

P

V

L

A

P

P

P

G

H

E

T

-

E

-

G

-

A

-

Q

-

H

-

V

A

T

G

G

F

Y

V

L

I

V

V

L

R

D

Q

Q

P

P

W

W

P

P

S

S

M

M

F

L

R

R

T

G

V

I

Y

W

G

G

D

D

P

P

E

A

R

R

Y

Y

-

W

R

H

K

S

Y

Y

W

W

E

S

E

K

I

F

P

S

-

D

-

K

G

G

V

Y

Y

Y

F

F

S

A

G

G

D

D

S

G

A

A

K

R

R

I

D

D

H

P

H

D

G

G

L

A

F

I

H

W

M

V

I

L

G

G

R

R

V

I

D

D

D

D

V

V

I

M

K

N

V

V

A

S

G

G

H

H

R

R

L

I

G

S

T

T

A

A

E

E

V

V

E

E

S

S

A

A

L

L

V

V

S

A

H

H

P

S

C

G

V

V

S

A

E

E

A

A

A

A

V

V

I

V

G

G

K

V

P

T

D

D

E

E

L

T

K

T

G

T

E

Q

V

A

I

I

K

C

A

A

F

F

V

V

I

V

L

L

R

R

K

A

D

N

A

Y

E

A

R

P

T

H

P

D

D

R

L

T

E

A

L

E

R

E

I

L

R

R

Q

T

H

E

V

V

R

A

E

R

E

V

L

I

G

S

A

P

I

I

A

A

M

R

P

P

D

R

E

D

I

V

E

H

I

V

T

V

E

P

W

E

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

R

R

V

L

L

L

K

R

A

D

R

V

E

A

L

E

G

N

L

R

P

E

E

L

G

G

D

D

T

T

S

S

T

T

L

L

E

L

D

D

K617 (= K611) modified: N6-acetyllysine; mutation to R: Complete loss of acetyl-coenzyme A synthetase activity.

2p2fA Acetyl-coa synthetase, wild-type with acetate, amp, and coa bound (see paper)
44% identity, 95% coverage: 32:634/634 of query aligns to 19:624/637 of 2p2fA

query
sites
2p2fA

Y

Y

Q

E

T

T

I

K

Y

Y

D

K

E

Q

S

S

I

I

R

N

D

D

P

P

E

D

Q

T

F

F

W

W

G

G

K

E

I

Q

A

G

E

K

D

I

F

L

R

D

W

W

S

I

R

T

K

P

W

Y

D

Q

R

K

V

V

L

K

D

N

-

T

-

S

W

F

N

A

P

P

K

G

T

N

Y

V

E

S

A

I

R

K

W

W

F

Y

S

E

G

D

S

G

L

T

S

L

N

N

I

L

T

A

T

A

N

N

M

C

L

L

D

D

R

R

H

H

I

L

D

Q

E

E

G

N

L

-

S

G

N

D

K

R

V

T

A

A

L

I

I

I

A

W

V

E

A

G

D

D

D

D

G

T

S

S

E

Q

R

S

V

K

Y

H

-

I

T

S

Y

Y

G

R

R

E

I

L

M

H

D

R

E

D

T

V

N

C

R

R

L

F

C

A

H

N

S

T

F

L

A

L

E

D

M

L

G

G

L

I

K

K

K

K

G

G

D

D

R

V

V

V

T

A

I

I

F

Y

L

M

P

P

P

M

T

V

P

P

E

E

Q

A

V

A

I

V

S

A

M

M

I

L

A

A

C

C

A

A

R

R

S

I

G

G

L

A

V

V

H

H

T

S

V

V

V

I

F
|
F

S

G

G

G

F

F

S

S

A

P

G

E

A

A

L

V

K

A

S

G

R

R

M

I

E

I

D

D

S

S

E

S

P

S

R

R

L

L

L

V

I

I

T

T

A

A

D

D

C

E

A

G

Y

V

R
|
R

R

A

G

G

K

R

R

S

I

I

A

P

L

L

L

K

D

K

T

N

A

V

R

D

E

D

A

A

K

L

K

K

A

N

-

P

-

N

I

V

T

T

S

S

L

V

E

E

K

H

T

V

I

I

V

V

I

L

R

K

R

R

E

T

N

G

P

S

D

D

L

I

E

D

L

W

E

Q

T

E

G

G

-

R

E

D

I

L

P

W

F

W

D

R

S

D

L

L

L

I

K

E

K

K

H

A

A

S

S

P

S

E

G

H

F

Q

F

P

K

E

A

A

V

M

D

N

C

A

T

-

T

-

D

E

D

D

P

P

L

L

F

F

I

I

L

L

Y

Y

T
|
T

S

S

G

G

T

S

T

T

G

G

K

K

P

P

K

K

G

G

I

V

V

L

H

H

T

T

H

T

P

G

G

G

Y

Y

M

L

V

V

G

Y

T

A

F

A

L

T

T

T

T

F

R

K

W

Y

V

V

F

F

N

D

I

Y

H

H

N

P

D

G

D

D

V

I

F

Y

F

W

C

C

V

T

A

A

D

D

P

V

G

G

W
|
W

I

V

T
|
T

G

G

H

H

S

S

Y

Y

I

L

V

L

Y

Y

G

G

P

P

L

L

L

A

N

C

G

G

A

A

T

T

V

T

L

L

L

M

A

F

E

E

G

G

S

V

P
|
P

D

N

Y

W

P

P

D

T

P

P

G

A

R

R

W

M

W

C

H

Q

L

V

V

V

E

D

K

K

Y

H

R

Q

V

V

T

N

V

I

F

L

Y

Y

S

T

T
x
A

P

P

T

T

A
|
A

I

I

R

R

L

A

Q

L

M

M

R

A

L

E

G

G

K

D

Q

K

W

A

P

I

E

E

K

G

Y

T

D

D

L

R

S

S

S

S

L

L

R

R

L

I

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

N

P

P

E

E

A

A

W

W

L

E

W

W

F

Y

-

W

R

K

E

K

V

I

T

G

G

K

G

E

R

K

L

C

P

P

I

V

M

V

D

D

T
|
T

W
|
W

W
|
W

Q
|
Q

T
|
T

E
|
E

T

T

G

G

M

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

-

A

V

I

P

E

L

L

V

K

P

A

G

G

S

S

A

A

T

T

R

R

P

P

F

F

P

F

G

G

V

V

V

Q

A

P

D

A

V

L

V

V

N

D

R

N

Q

E

G

G

E

H

S

P

V

Q

A

E

P

G

G

A

E

T

A

E

G

G

F

N

V

L

I

V

V

I

R

T

Q

D

P

S

W

W

P

P

S

G

M

Q

F

A

R

R

T

T

V

L

Y

F

G

G

D

D

P

H

E

E

R

R

Y

F

R

E

K

Q

-

T

Y

Y

W

F

E

S

E

T

I

F

P

K

G

N

V

M

Y

Y

F

F

S

S

G

G

D
|
D

S

G

A

A

K

R

R

R

D

D

H

E

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

T

G

G

R
|
R

V

V

D

D

D

D

V

V

I

L

K
x
N

V

V

A
x
S

G

G

H

H

R
|
R

L

L

G

G

T

T

A

A

E

E

V

I

E

E

S

S

A

A

L

L

V

V

S

A

H

H

P

P

C

K

V

I

S

A

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

P

D

H

E

A

L

I

K

K

G

G

E

Q

V

A

I

I

K

Y

A

A

F

Y

V

V

I

T

L

L

R

N

K

H

D

G

A

E

E

E

R

P

T

S

P

P

D

E

L

L

E

Y

L

A

R

E

I

V

R

R

Q

N

H

W

V

V

R
|
R

E

K

E

E

L

I

G

G

A
x
P

I

L

A

A

M

T

P

P

D

D

E

V

I

L

E

H

I

W

T

T

E

D

W

S

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

-

E

-

L

-

G

-

L

I

P

A

E

A

G

G

D

D

T

T

-

S

S

S

T

T

L

L

E

A

D

D

active site: T259 (= T269), T411 (= T420), E412 (= E421), N516 (≠ K523), R521 (= R528), K604 (= K611)
binding adenosine monophosphate: G382 (= G392), E383 (= E393), P384 (= P394), T407 (= T416), W408 (= W417), W409 (= W418), Q410 (= Q419), T411 (= T420), D495 (= D502), I507 (≠ M514), R510 (= R517), N516 (≠ K523), R521 (= R528)
binding coenzyme a: F158 (= F169), R186 (= R197), W304 (= W314), T306 (= T316), P329 (= P339), A352 (≠ T362), A355 (= A365), S518 (≠ A525), R579 (= R586), P584 (≠ A591)

1pg3A Acetyl coa synthetase, acetylated on lys609 (see paper)
44% identity, 93% coverage: 32:623/634 of query aligns to 20:617/634 of 1pg3A

query
sites
1pg3A

Y

Y

Q

E

T

T

I

K

Y

Y

D

K

E

Q

S

S

I

I

R

N

D

D

P

P

E

D

Q

T

F

F

W

W

G

G

K

E

I

Q

A

G

E

K

D

I

F

L

R

D

W

W

S

I

R

T

K

P

W

Y

D

Q

R

K

V

V

L

K

D

N

-

T

-

S

W

F

N

A

P

P

K

G

T

N

Y

V

E

S

A

I

R

K

W

W

F

Y

S

E

G

D

S

G

L

T

S

L

N

N

I

L

T

A

T

A

N

N

M

C

L

L

D

D

R

R

H

H

I

L

D

Q

E

E

G

N

L

-

S

G

N

D

K

R

V

T

A

A

L

I

I

I

A

W

V

E

A

G

D

D

D

D

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S

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I

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Y

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M

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C

A

A

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R

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I

G

G

L

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V

H

H

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V

V

V

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F
|
F

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x
G

G

G

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F

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S

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P

G

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A

A

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V

K

A

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G

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C

M

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L

L

L

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I

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A

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D

C

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A

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Y

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|
R

R

A

G

G

K
x
R

R

S

I

I

A

P

L

L

L

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D

K

T

N

A

V

R

D

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A

A

K

L

K

K

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P

-

N

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H

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E

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P

L

L

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F

I

I

L

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Y

Y

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|
T

S

S

G

G

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S

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T

G

G

K

K

P

P

K

K

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G

I

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V

L

H

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G

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C

C

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A
|
A

D

D

P

V

G

G

W

W

I

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T
|
T

G

G

H

H

S

S

Y

Y

I

L

V

L

Y

Y

G

G

P

P

L

L

L

A

N

C

G

G

A

A

T

T

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T

L

L

L

M

A

F

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G

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|
P

D

N

Y

W

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P

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T

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P

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A

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R

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M

W

C

H

Q

L

V

V

V

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D

K

K

Y

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N

V

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F

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Y

Y

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|
A

I

I

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R

L

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M

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D

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S

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L

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I

L

L

G

G

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S

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V

G
|
G

E
|
E

P
|
P

I

I

N

N

P

P

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A

A

W

W

L

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W

W

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W

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K

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G

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L

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|
T

W
|
W

W
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W

Q
|
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|
E

T

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G

G

M

G

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M

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L

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L

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|
D

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G

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|
R

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V

D

D

D

D

V

V

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x
N

V

V

A
x
S

G

G

H

H

R
|
R

L

L

G

G

T

T

A

A

E

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I

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S

A

A

L

L

V
|
V

S

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H
|
H

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x
I

S

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A

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A

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V

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I

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K

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G

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Y

A

A

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Y

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V

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L

L

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K

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D

G

A

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T

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P

P

D

E

L

L

E

Y

L

A

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I

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R

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N

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W

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V

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|
R

E

K

E

E

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G

A
x
P

I

L

A

A

M

T

P

P

D

D

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V

I

L

E

H

I

W

T

T

E

D

W

S

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

I

E

A

L

A

G

G

active site: T260 (= T269), T412 (= T420), E413 (= E421), N517 (≠ K523), R522 (= R528), K605 (= K611)
binding coenzyme a: F159 (= F169), G160 (≠ S170), R187 (= R197), R190 (≠ K200), A301 (= A310), T307 (= T316), P330 (= P339), A356 (= A365), S519 (≠ A525), R580 (= R586), P585 (≠ A591)
binding magnesium ion: V533 (= V539), H535 (= H541), I538 (≠ V544)
binding adenosine-5'-monophosphate-propyl ester: G383 (= G392), E384 (= E393), P385 (= P394), T408 (= T416), W409 (= W417), W410 (= W418), Q411 (= Q419), T412 (= T420), D496 (= D502), R511 (= R517), R522 (= R528)

Q99NB1 Acetyl-coenzyme A synthetase 2-like, mitochondrial; Acetate--CoA ligase 2; Acetyl-CoA synthetase 2; AceCS2; Acyl-CoA synthetase short-chain family member 1; Propionate--CoA ligase; EC 6.2.1.1; EC 6.2.1.17 from Mus musculus (Mouse) (see paper)
42% identity, 95% coverage: 32:634/634 of query aligns to 51:660/682 of Q99NB1

query
sites
Q99NB1

Y

Y

Q

P

T

A

I

L

Y

S

D

A

E

Q

S

A

I

A

R

Q

D

E

P

P

E

A

Q

A

F

F

W

W

G

G

K

P

I

L

A

A

E

R

D

D

-

T

F

L

R

V

W

W

S

D

R

T

K

P

W

Y

D

H

R

T

V

V

L

W

D

D

W

C

N

D

P

F

K

R

T

T

Y

G

E

K

A

I

R

G

W

W

F

F

S

L

G

G

S

G

L

Q

S

L

N

N

I

V

T

S

T

V

N

N

M

C

L

L

D

D

R

Q

H

H

I

V

D

Q

E

K

G

S

L

-

S

P

N

E

K

T

V

I

A

A

L

L

I

I

A

W

V

E

A

R

D

D

D

E

-

P

G

G

S

T

E

E

R

V

V

R

Y

I

T

T

Y

Y

G

R

R

E

I

L

M

L

D

E

E

T

T

T

N

C

R

R

L

L

C

A

H

N

S

T

F

L

A

K

E

R

M

H

G

G

L

V

K

H

K

R

G

G

D

D

R

R

V

V

T

A

I

I

F

Y

L

M

P

P

P

V

T

S

P

P

E

L

Q

A

V

V

I

A

S

A

M

M

I

L

A

A

C

C

A

A

R

R

S

I

G

G

L

A

V

I

H

H

T

T

V

V

V

V

F

F

S

A

G

G

F

F

S

S

A

A

G

E

A

S

L

L

K

A

S

G

R

R

M

I

E

N

D

D

S

A

E

K

P

C

R

K

L

A

L

V

I

I

T

T

A

F

D

N

C

Q

A

G

Y

L

R

R

R

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G

G

K

R

R

V

I

V

A

E

L

L

L

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D

K

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I

A

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D

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A

A

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K

K

A

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I

C

T

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S

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L

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K

H

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I

L

V

V

I

A

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H

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R

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T

N

D

P

T

D

K

L

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P

L

M

E

G

T

S

G

L

E

D

I

I

P

P

F

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D

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Q

L

E

L

M

K

A

K

K

H

E

A

A

S

P

S

V

G

C

F

T

F

P

K

E

A

S

V

M

D

-

C

-

T

S

T

S

D

E

D

D

P

M

L

L

F

F

I

M

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

L

V

V

H

H

T

T

H

Q

P

A

G

G

Y

Y

M

L

V

L

G

Y

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A

F

A

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M

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T

T

H

R

K

W

L

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V

F

F

N

D

I

Y

H

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N

P

D

G

D

D

V

V

F

F

F

G

C

C

V

V

A

A

D

D

P

I

G

G

W

W

I

I

T

T

G

G

H

H

S

S

Y

Y

I

V

V

V

Y

Y

G

G

P

P

L

L

L

C

N

N

G

G

A

A

T

T

V

T

L

V

L

L

A

F

E

E

G

S

S

T

P

P

D

V

Y

Y

P

P

D

D

P

A

G

G

R

R

W

Y

W

W

H

E

L

T

V

V

E

Q

K

R

Y

L

R

K

V

I

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N

V

Q

F

F

Y

Y

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G

T

A

P

P

T

T

A

A

I

V

R

R

L

L

Q

L

M

L

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K

L

Y

G

G

K

D

Q

A

W

W

P

V

E

K

K

K

Y

Y

D

D

L

R

S

S

S

S

L

L

R

R

L

T

L

L

G

G

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S

V

V

G

G

E

E

P

P

I

I

N

N

P

H

E

E

A

A

W

W

L

E

W

W

F

L

R

H

E

K

V

V

T

V

G

G

-

D

G

G

R

R

L

C

P

T

I

L

M

V

D

D

T

T

W

W

W

W

Q

Q

T

T

E

E

T

T

G

G

M

G

H

I

M

C

I

I

T

A

P

P

L

R

P

P

-

S

-

E

-

D

G

G

V

A

P

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L

I

V

L

P

P

G

G

S

M

A

A

T

M

R

R

P

P

F

F

P

F

G

G

V

I

V

V

A

P

D

V

V

L

V

M

N

D

R

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Q

K

G

G

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N

S

V

V

L

A

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P

G

G

G

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D

-

V

A

S

G

G

F

A

V

L

I

C

V

I

R

S

Q

Q

P

A

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W

P

P

S

G

M

M

F

A

R

R

T

T

V

I

Y

Y

G

G

D

D

P

H

E

Q

R

R

Y

F

-

V

R

D

K

A

Y

Y

W

F

E

R

E

A

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D

D

S

G

A

A

K

H

R

R

D

T

H

E

H

G

G

G

L

Y

F

Y

H

Q

M

I

I

T

G

G

R

R

V

M

D

D

D

D

V

V

I

I

K

N

V

I

A

S

G

G

H

H

R

R

L

L

G

G

T

T

A

A

E

E

V

I

E

E

S

D

A

A

L

M

V

A

S

D

H

H

P

P

C

A

V

V

S

P

E

E

A

T

A

A

V

V

I

I

G

G

K

Y

P

P

D

H

E

D

L

I

K

K

G

G

E

E

V

A

I

A

K

F

A

A

F

F

V

I

I

V

L

L

R

K

K

D

D

N

A

I

E

S

R

D

T

E

P

N

D

M

L

V

E

V

L

N

R

E

I

L

R

K

Q

L

H

S

V

V

R

A

E

T

E

K

L

I

G

A

A

K

I

Y

A

A

M

V

P

P

D

D

E

Q

I

I

E

L

I

V

T

V

E

K

W

R

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

V

M

M

R

R

R

R

V

L

L

L

K

R

A

K

-

I

-

I

R

T

E

S

L

R

G

G

L

Q

P

D

E

L

G

G

D

D

T

T

S

T

T

T

L

L

E

E

D

D

K635 (= K611) modified: N6-acetyllysine

8sf3A Crystal structure of acetyl-coenzyme a synthetase from leishmania infantum (amp, acetate and coa bound) (see paper)
44% identity, 96% coverage: 28:634/634 of query aligns to 21:646/662 of 8sf3A

query
sites
8sf3A

H

H

V

L

S

G

D

S

Y

R

Q

M

T

R

I

I

Y

Y

D

E

E

Y

S

S

I

I

R

E

D

H

P

N

E

D

Q

A

F

F

W

W

G

A

K

E

I

I

A

A

E

R

-

R

D

D

F

F

R

Y

W

W

S

K

R

T

K

T

W

W

D

P

R

D

V

-

L

-

D

D

W

Q

N

H

P

V

K

K

T

S

Y

Y

E

N

-

F

-

D

-

K

-

S

-

K

-

G

-

P

-

I

-

F

A

V

R

K

W

W

F

F

S

E

G

G

S

A

L

V

S

T

N

N

I

V

T

C

T

Y

N

N

M

A

L

L

D

D

R

R

H

H

I

L

D

P

E

A

G

H

L

K

S

D

N

R

K

V

V

C

A

F

L

Y

I

F

A

E

V

G

A

N

D

D

D

P

G

S

S

V

E

T

R

E

V

A

Y

V

T

T

Y

Y

G

G

-

S

-

M

-

Y

-

T

R

R

I

V

M

V

D

E

E

L

T

A

N

N

R

V

L

L

C

K

H

Y

S

Q

F

Y

A

-

E

-

M

-

G

G

L

I

K

A

K

K

G

G

D

D

R

R

V

V

T

G

I

L

F

Y

L

L

P

P

P

M

T

I

P

P

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A

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A

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M

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C

A

A

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R

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I

G

G

L

A

V

V

H

I

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V

V

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F
|
F

S
x
G

G
|
G

F

F

S

S

A

A

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Q

A

A

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L

K

S

S

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M

L

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D

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L

L

L

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I

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T

A

A

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D

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A

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A

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|
R

R

G

G

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K
|
K

R

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I

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L

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G

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|
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|
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|
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|
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G

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L

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|
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x
P

I

L

A

A

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D

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I

M

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Q

I

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-

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L

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G

K

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I

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V

I

L

L

K

R

A

K

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A

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G

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Q

-

Y

L

T

P

E

E

L

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D

D

T

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L

L

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A

D

N

binding adenosine monophosphate: G398 (= G392), E399 (= E393), P400 (= P394), T423 (= T416), W424 (= W417), Q426 (= Q419), T427 (= T420), D511 (= D502), R526 (= R517), R537 (= R528)
binding coenzyme a: F171 (= F169), G172 (≠ S170), G173 (= G171), R199 (= R197), K202 (= K200), R595 (= R586), P600 (≠ A591)

Q9NUB1 Acetyl-coenzyme A synthetase 2-like, mitochondrial; Acetate--CoA ligase 2; Acetyl-CoA synthetase 2; AceCS2; Acyl-CoA synthetase short-chain family member 1; Propionate--CoA ligase; EC 6.2.1.1; EC 6.2.1.17 from Homo sapiens (Human) (see 3 papers)
42% identity, 95% coverage: 32:634/634 of query aligns to 58:667/689 of Q9NUB1

query
sites
Q9NUB1

Y

Y

Q

P

T

A

I

L

Y

S

D

A

E

Q

S

A

I

A

R

R

D

E

P

P

E

A

Q

A

F

F

W

W

G

G

K

P

I

L

A

A

E

R

D

D

-

T

F

L

R

V

W

W

S

D

R

T

K

P

W

Y

D

H

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V

L

W

D

D

W

C

N

D

P

F

K

S

T

T

Y

G

E

K

A

I

R

G

W

W

F

F

S

L

G

G

S

G

L

Q

S

L

N

N

I

V

T

S

T

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N

N

M

C

L

L

D

D

R

Q

H

H

I

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D

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G

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-

S

P

N

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K

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V

A

A

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L

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D

D

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V

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Y

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Y

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M

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C

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R

L

L

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A

H

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L

A

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M

H

G

G

L

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G

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D

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P

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|
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V

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A

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D

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W

R

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K
|
K

I

V

M

M

R

R

R

R

V

L

L

L

K

R

-

K

-

I

-

I

-

T

-

S

-

E

A

A

R

Q

E

E

L

L

G

-

L

-

P

-

E

-

G

G

D

D

T

T

S

T

T

T

L

L

E

E

D

D

V488 (= V459) to M: in dbSNP:rs6050249
K642 (= K611) modified: N6-acetyllysine; mutation to Q: Loss of activity.

Sites not aligning to the query:

1:37 modified: transit peptide, Mitochondrion

8u2rA Crystal structure of acetyl-coenzyme a synthetase from leishmania infantum (ethyl amp bound) (see paper)
43% identity, 96% coverage: 28:634/634 of query aligns to 20:648/664 of 8u2rA

query
sites
8u2rA

H

H

V

L

S

G

D

S

Y

R

Q

M

T

R

I

I

Y

Y

D

E

E

Y

S

S

I

I

R

E

D

H

P

N

E

D

Q

A

F

F

W

W

G

A

K

E

I

I

A

A

E

R

-

R

D

D

F

F

R

Y

W

W

S

K

R

T

K

T

W

W

D

P

R

D

V

-

L

-

D

D

W

Q

N

H

P

V

K

K

T

S

Y

Y

E

N

-

F

-

D

-

K

-

S

-

K

-

G

-

P

-

I

-

F

A

V

R

K

W

W

F

F

S

E

G

G

S

A

L

V

S

T

N

N

I

V

T

C

T

Y

N

N

M

A

L

L

D

D

R

R

H

H

I

L

D

P

E

A

G

H

L

K

S

D

N

R

K

V

V

C

A

F

L

Y

I

F

A

E

V

G

A

N

D

D

D

P

G

S

S

V

E

T

R

E

V

A

Y

V

T

T

Y

Y

G

G

-

S

-

M

-

Y

-

T

R

R

I

V

M

V

D

E

E

L

T

A

N

N

R

V

L

L

C

K

H

Y

S

Q

F

Y

A

-

E

-

M

-

G

G

L

I

K

A

K

K

G

G

D

D

R

R

V

V

T

G

I

L

F

Y

L

L

P

P

P

M

T

I

P

P

E

F

Q

A

V

A

I

V

S

A

M

M

I

L

A

A

C

C

A

A

R

R

S

I

G

G

L

A

V

V

H

I

T

T

V

V

V

I

F

F

S

G

G

G

F

F

S

S

A

A

G

Q

A

A

L

L

K

S

S

S

R

R

M

L

E

K

D

D

S

A

E

Q

P

T

R

K

L

L

L

L

I

I

T

T

A

A

D

D

C

A

A

S

Y

A

R

R

R

G

G

T

K

K

R

P

I

I

A

P

L

L

L

K

D

D

T

V

A

A

R

D

E

E

A

A

K

L

K

K

A

E

I

C

-

E

-

E

-

E

-

G

T

M

S

S

L

I

E

A

K

C

T

L

I

V

V

A

I

E

R

N

R

M

E

N

N

R

P

Q

D

S

L

C

E

K

L

M

E

K

T

E

G

G

E

R

I

D

P

T

F

W

-

Y

-

G

D

D

S

A

L

L

L

A

K

R

K

L

H

T

A

P

S

E

S

Q

G

H

F

E

F

E

K

C

A

P

V

V

D

E

-

W

C

M

T

D

T

A

D

E

D

D

P

V

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

K

P

P

K

K

G

A

I

I

V

V

H

H

T

T

H

T

P

A

G

G

Y

Y

M

M

V

V

G

Y

T

A

F

S

L

T

T

T

T

F

R

M

W

Y

V

S

F

F

N

D

I

Y

H

H

N

M

D

D

D

D

V

V

F

Y

F

F

C

C

V

T

A

A

D

D

P

I

G

G

W

W

I
|
I

T

T

G

G

H

H

S

S

Y

Y

I

V

V

V

Y

Y

G

G

P

P

L

M

L

I

N

H

G

C

A

A

T

T

V

S

L

V

L

L

A

F

E

E

G

G

S

V

P

P

D

N

Y

Y

P

P

D

D

P

Y

G

S

R

R

W

W

W

W

H

Q

L

L

V

V

E

E

K

K

Y

Y

R

K

V

V

T

S

V

I

F

L

Y

Y

S

T

T

A

P

P

T

T

A

A

I

I

R

R

L

S

Q

L

M

M

R

Q

L

A

G

G

K

D

Q

D

W

Y

P

V

E

K

K

V

Y

G

D

N

L

R

S

S

S

T

L

L

R

R

L

V

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

N

P

V

E

E

A

A

W

W

L

K

W

W

F

L

R

R

E

D

V

V

T

G

G

G

-

E

G

G

R

H

L

C

P

D

I

V

M

S

D

D

T
|
T

W
|
W

W
|
W

Q
|
Q

T
|
T

E

E

T

T

G

G

M

G

H

H

M

M

I

I

T

T

P

P

L

M

P

P

G

G

V

C

-

T

P

P

L

M

V

K

P

P

G

G

S

S

A

A

T

T

R

L

P

P

F

F

P

F

G

G

V

V

V

Q

A

P

D

V

V

I

V

L

N

D

-

P

-

M

R

K

Q

L

G

H

E

E

S

K

V

Q

A

G

P

P

G

A

E

E

A

-

G

G

F

L

V

L

I

A

V

I

R

R

Q

A

P

P

W

W

P

P

S

G

M

M

F

A

R

R

T

T

V

I

Y

Y

G

G

D

D

P

H

E

A

R

R

Y

F

R

E

K

K

Y

T

W

Y

E

F

E

G

I

V

P

D

G

G

V

Y

Y

Y

F

M

S

T

G

G

D
|
D

S

G

A

A

K

R

R

R

D

D

H

S

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

T

G

G

R
|
R

V

V

D

D

D

D

V

V

I

L

K

N

V

V

A

S

G

G

H

H

R
|
R

L

I

G

G

T

T

A

S

E

E

V

I

E

E

S

D

A

A

L

V

V

N

S

T

H

H

P

P

C

A

V

V

S

V

E

E

A

S

A

A

V

V

I

V

G

G

K

F

P

P

D

H

E

N

L

I

K

K

G

G

E

E

V

G

I

I

K

Y

A

V

F

F

V

L

I

T

L

F

R

R

K

Q

D

G

A

T

E

E

R

V

T

T

P

P

D

E

L

L

E

L

L

A

R

A

I

V

R

K

Q

A

H

T

V

V

R

R

E

K

E

V

L

I

G

G

A

P

I

L

A

A

M

T

P

P

D

D

E

V

I

M

E

Q

I

V

T

A

E

R

-

V

W

G

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

V

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

A

G

G

-

Q

-

Y

L

T

P

E

E

L

G

G

D

D

T

T

S

S

T

T

L

L

E

A

D

N

binding 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine: I323 (= I315), G400 (= G392), E401 (= E393), P402 (= P394), T425 (= T416), W426 (= W417), W427 (= W418), Q428 (= Q419), T429 (= T420), D513 (= D502), I525 (≠ M514), R528 (= R517), R539 (= R528)

8v4pA Crystal structure of acetyl-coa synthetase 2 in complex with adenosine-5'-allylphosphate from candida albicans
43% identity, 96% coverage: 29:634/634 of query aligns to 34:644/660 of 8v4pA

query
sites
8v4pA

V

V

S

N

D

Q

Y

Y

Q

K

T

Q

I

M

Y

Y

D

E

E

Q

S

S

I

I

R

K

D

D

P

P

E

Q

Q

G

F

F

W

F

G

G

K

P

I

L

A

A

E

K

D

E

F

L

-

L

R

S

W

W

S

D

R

H

K

D

W

F

D

H

R

T

V

V

L

K

D

S

W

G

N

T

P

L

K

K

T

N

Y

G

E

D

A

A

R

A

W

W

F

F

S

L

G

G

S

G

L

E

S

L

N

N

I

A

T

S

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

A

D

F

E

A

G

N

L

-

S

P

N

D

K

K

V

P

A

A

L

L

I

I

A

C

V

E

A

A

D

D

D

D

G

E

S

K

E

D

-

S

R

H

V

I

Y

L

T

T

Y

Y

G

G

R

D

I

L

M

L

D

R

E

E

T

V

N

S

R

K

L

V

C

A

H

G

S

V

F

L

A

Q

E

S

M

W

G

G

L

I

K

K

K

K

G

G

D

D

R

T

V

V

T

A

I

V

F

Y

L

L

P
|
P

P

M

T

N

P

A

E

Q

Q

A

V

I

I

I

S

A

M

M

I

L

A

A

C

I

A

A

R

R

S

L

G

G

L

A

V

A

H

H

T

S

V

V

V

I

F

F

S
x
A

G
|
G

F

F

S

S

A

A

G

G

A

S

L

I

K

K

S

D

R

R

M

V

E

N

D

D

S

A

E

S

P

C

R

K

L

A

L

L

I

I

T

T

A

C

D

D

C

E

A

G

Y

K

R
|
R

R

G

G

G

K

R

R

T

I
x
T

A

N

L

I

L

K

D

K

T

L

A

C

R

D

E

E

A

A

K

L

K

V

A

D

I

C

T

P

S

T

L

V

E

E

K

K

T

V

I

L

V

V

I

Y

R

K

R

R

-

T

E

N

N

N

P

P

D

E

L

I

E

H

L

L

E

T

T

E

G

G

-

R

E

D

I

Y

P

Y

F

W

D

D

S

V

L

E

L

T

K

A

K

K

H

F

A

-

S

-

S

P

G

G

F

Y

F

L

K

P

A

P

V

V

D

S

C

V

T

N

T

S

D

E

D

D

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

V

V

V

H

H

T

S

H

T

P

A

G

G

Y

Y

M

L

V

L

G

G

T

A

F

A

L

L

T

S

T

T

R

K

W

Y

V

I

F

F

N

D

I

I

H

H

N

P

D

E

D

D

V

I

F

L

F

F

C

T

V

A

A

G

D
|
D

P

V

G

G

W

W

I

I

T

T

G

G

H

H

S

T

Y

Y

I

A

V

L

Y

Y

G

G

P

P

L

L

L

L

N

L

G

G

A

V

T

P

V

T

L

I

L

I

A

F

E
|
E

G
|
G

S

T

P
|
P

D

A

Y

Y

P

P

D

D

P

Y

G

G

R

R

W

F

W

W

H

Q

L

I

V

V

E

E

K

K

Y

H

R

K

V

A

T

T

V

H

F

F

Y

Y

S

V

T

A

P

P

T

T

A

A

I

L

R

R

L

L

Q

L

M

R

R

K

L

A

G

G

K

E

Q

Q

W

E

P

I

E

A

K

K

Y

Y

D

D

L

L

S

S

S

S

L

L

R

R

L

T

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

S

P

P

E

D

A

I

W

W

L

E

W

W

F

Y

R

N

E

E

V

F

T

V

G

G

-

K

G

N

R

Q

L

C

P

H

I

I

M

S

D

D

T
|
T

W

Y

W
|
W

Q
|
Q

T
|
T

E

E

T

S

G

G

M

S

H

H

M

L

I

I

T

A

P

P

L

L

P

A

G

G

-

V

V

V

P

P

L

N

V

K

P

P

G

G

S

S

A

A

T

S

R

Y

P

P

F

F

P

F

G

G

V

I

V

D

A

A

D

A

V

L

V

I

N

D

-

P

R

V

Q

T

G

G

E

V

S

E

V

I

A

E

P

G

G

N

E

D

A

A

-

E

G

G

F

V

V

L

I

A

V

I

R

K

Q

D

P

H

W

W

P

P

S

S

M

M

F

A

R

R

T

T

V

V

Y

Y

G

K

D

N

P

H

E

T

R

K

Y

Y

R

M

-

D

K

T

Y

Y

W

M

E

N

E

P

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D
|
D

S

G

A

A

K

A

R

R

D

D

H

H

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

R

G

G

R
|
R

V

V

D

D

D

D

V

V

I

V

K

N

V

V

A

S

G

G

H

H

R
|
R

L

L

G

S

T

T

A

A

E

E

V

I

E

E

S

A

A

A

L

L

V

I

S

E

H

D

P

K

C

K

V

V

S

S

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

H

D

D

E

D

L

I

K

T

G

G

E

Q

V

A

I

V

K

I

A

A

F

Y

V

V

I

A

L

L

R

K

K

E

D

D

A

S

E

E

R

-

T

-

P

-

D

G

L

L

E

R

L

K

R

E

I

L

R

V

Q

L

H

Q

V

V

R

R

E

K

E

T

L

I

G

G

A

P

I

F

A

A

M

A

P

P

D

K

E

S

I

V

E

I

I

I

T

V

E

Q

W

D

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

S

G

N

L

E

P

A

E

D

-

Q

-

L

G

G

D

D

T

I

S

S

T

T

L

L

E

S

D

N

binding 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine: P152 (= P146), A176 (≠ S170), G177 (= G171), R203 (= R197), T208 (≠ I202), D317 (= D311), E342 (= E336), G343 (= G337), P345 (= P339), G398 (= G392), E399 (= E393), P400 (= P394), T423 (= T416), W425 (= W418), Q426 (= Q419), T427 (= T420), D513 (= D502), I525 (≠ M514), R528 (= R517), R539 (= R528)

8v4oA Crystal structure of acetyl-coa synthetase 2 in complex with amp from candida albicans
43% identity, 96% coverage: 29:634/634 of query aligns to 34:644/660 of 8v4oA

query
sites
8v4oA

V

V

S

N

D

Q

Y

Y

Q

K

T

Q

I

M

Y

Y

D

E

E

Q

S

S

I

I

R

K

D

D

P

P

E

Q

Q

G

F

F

W

F

G

G

K

P

I

L

A

A

E

K

D

E

F

L

-

L

R

S

W

W

S

D

R

H

K

D

W

F

D

H

R

T

V

V

L

K

D

S

W

G

N

T

P

L

K

K

T

N

Y

G

E

D

A

A

R

A

W

W

F

F

S

L

G

G

S

G

L

E

S

L

N

N

I

A

T

S

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

A

D

F

E

A

G

N

L

-

S

P

N

D

K

K

V

P

A

A

L

L

I

I

A

C

V

E

A

A

D

D

D

D

G

E

S

K

E

D

-

S

R

H

V

I

Y

L

T

T

Y

Y

G

G

R

D

I

L

M

L

D

R

E

E

T

V

N

S

R

K

L

V

C

A

H

G

S

V

F

L

A

Q

E

S

M

W

G

G

L

I

K

K

K

K

G

G

D

D

R

T

V

V

T

A

I

V

F

Y

L

L

P

P

P

M

T

N

P

A

E

Q

Q

A

V

I

I

I

S

A

M

M

I

L

A

A

C

I

A

A

R

R

S

L

G

G

L

A

V

A

H

H

T

S

V

V

V

I

F

F

S

A

G

G

F

F

S

S

A

A

G

G

A

S

L

I

K

K

S

D

R

R

M

V

E

N

D

D

S

A

E

S

P

C

R

K

L

A

L

L

I

I

T

T

A

C

D

D

C

E

A

G

Y

K

R

R

R

G

G

G

K

R

R

T

I

T

A

N

L

I

L

K

D

K

T

L

A

C

R

D

E

E

A

A

K

L

K

V

A

D

I

C

T

P

S

T

L

V

E

E

K

K

T

V

I

L

V

V

I

Y

R

K

R

R

-

T

E

N

N

N

P

P

D

E

L

I

E

H

L

L

E

T

T

E

G

G

-

R

E

D

I

Y

P

Y

F

W

D

D

S

V

L

E

L

T

K

A

K

K

H

F

A

-

S

-

S

P

G

G

F

Y

F

L

K

P

A

P

V

V

D

S

C

V

T

N

T

S

D

E

D

D

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

V

V

V

H

H

T

S

H

T

P

A

G

G

Y

Y

M

L

V

L

G

G

T

A

F

A

L

L

T

S

T

T

R

K

W

Y

V

I

F

F

N

D

I

I

H

H

N

P

D

E

D

D

V

I

F

L

F

F

C

T

V

A

A

G

D

D

P

V

G

G

W

W

I

I

T

T

G

G

H

H

S

T

Y

Y

I

A

V

L

Y

Y

G

G

P

P

L

L

L

L

N

L

G

G

A

V

T

P

V

T

L

I

L

I

A

F

E

E

G

G

S

T

P

P

D

A

Y

Y

P

P

D

D

P

Y

G

G

R

R

W

F

W

W

H

Q

L

I

V

V

E

E

K

K

Y

H

R

K

V

A

T

T

V

H

F

F

Y

Y

S

V

T

A

P

P

T

T

A

A

I

L

R

R

L

L

Q

L

M

R

R

K

L

A

G

G

K

E

Q

Q

W

E

P

I

E

A

K

K

Y

Y

D

D

L

L

S

S

S

S

L

L

R

R

L

T

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

S

P

P

E

D

A

I

W

W

L

E

W

W

F

Y

R

N

E

E

V

F

T

V

G

G

-

K

G

N

R

Q

L

C

P

H

I

I

M

S

D

D

T
|
T

W
x
Y

W
|
W

Q
|
Q

T
|
T

E

E

T

S

G

G

M

S

H

H

M

L

I

I

T

A

P

P

L

L

P

A

G

G

-

V

V

V

P

P

L

N

V

K

P

P

G

G

S

S

A

A

T

S

R

Y

P

P

F

F

P

F

G

G

V

I

V

D

A

A

D

A

V

L

V

I

N

D

-

P

R

V

Q

T

G

G

E

V

S

E

V

I

A

E

P

G

G

N

E

D

A

A

-

E

G

G

F

V

V

L

I

A

V

I

R

K

Q

D

P

H

W

W

P

P

S

S

M

M

F

A

R

R

T

T

V

V

Y

Y

G

K

D

N

P

H

E

T

R

K

Y

Y

R

M

-

D

K

T

Y

Y

W

M

E

N

E

P

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D
|
D

S

G

A

A

K

A

R

R

D

D

H

H

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

R

G

G

R
|
R

V

V

D

D

D

D

V

V

I

V

K

N

V

V

A

S

G

G

H

H

R
|
R

L

L

G

S

T

T

A

A

E

E

V

I

E

E

S

A

A

A

L

L

V

I

S

E

H

D

P

K

C

K

V

V

S

S

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

H

D

D

E

D

L

I

K

T

G

G

E

Q

V

A

I

V

K

I

A

A

F

Y

V

V

I

A

L

L

R

K

K

E

D

D

A

S

E

E

R

-

T

-

P

-

D

G

L

L

E

R

L

K

R

E

I

L

R

V

Q

L

H

Q

V

V

R

R

E

K

E

T

L

I

G

G

A

P

I

F

A

A

M

A

P

P

D

K

E

S

I

V

E

I

I

I

T

V

E

Q

W

D

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

S

G

N

L

E

P

A

E

D

-

Q

-

L

G

G

D

D

T

I

S

S

T

T

L

L

E

S

D

N

binding adenosine monophosphate: G398 (= G392), E399 (= E393), P400 (= P394), T423 (= T416), Y424 (≠ W417), W425 (= W418), Q426 (= Q419), T427 (= T420), D513 (= D502), I525 (≠ M514), R528 (= R517), R539 (= R528)

8w0jA Crystal structure of acetyl-coa synthetase 2 from candida albicans in complex with a propyne amp ester inhibitor
43% identity, 96% coverage: 29:634/634 of query aligns to 35:645/662 of 8w0jA

query
sites
8w0jA

V

V

S

N

D

Q

Y

Y

Q

K

T

Q

I

M

Y

Y

D

E

E

Q

S

S

I

I

R

K

D

D

P

P

E

Q

Q

G

F

F

W

F

G

G

K

P

I

L

A

A

E

K

D

E

F

L

-

L

R

S

W

W

S

D

R

H

K

D

W

F

D

H

R

T

V

V

L

K

D

S

W

G

N

T

P

L

K

K

T

N

Y

G

E

D

A

A

R

A

W

W

F

F

S

L

G

G

S

G

L

E

S

L

N

N

I

A

T

S

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

A

D

F

E

A

G

N

L

-

S

P

N

D

K

K

V

P

A

A

L

L

I

I

A

C

V

E

A

A

D

D

D

D

G

E

S

K

E

D

-

S

R

H

V

I

Y

L

T

T

Y

Y

G

G

R

D

I

L

M

L

D

R

E

E

T

V

N

S

R

K

L

V

C

A

H

G

S

V

F

L

A

Q

E

S

M

W

G

G

L

I

K

K

K

K

G

G

D

D

R

T

V

V

T

A

I

V

F

Y

L

L

P

P

P

M

T

N

P

A

E

Q

Q

A

V

I

I

I

S

A

M

M

I

L

A

A

C

I

A

A

R

R

S

L

G

G

L

A

V

A

H

H

T

S

V

V

V

I

F

F

S

A

G

G

F

F

S

S

A

A

G

G

A

S

L

I

K

K

S

D

R

R

M

V

E

N

D

D

S

A

E

S

P

C

R

K

L

A

L

L

I

I

T

T

A

C

D

D

C

E

A

G

Y

K

R

R

R

G

G

G

K

R

R

T

I

T

A

N

L

I

L

K

D

K

T

L

A

C

R

D

E

E

A

A

K

L

K

V

A

D

I

C

T

P

S

T

L

V

E

E

K

K

T

V

I

L

V

V

I

Y

R

K

R

R

-

T

E

N

N

N

P

P

D

E

L

I

E

H

L

L

E

T

T

E

G

G

-

R

E

D

I

Y

P

Y

F

W

D

D

S

V

L

E

L

T

K

A

K

K

H

F

A

-

S

-

S

P

G

G

F

Y

F

L

K

P

A

P

V

V

D

S

C

V

T

N

T

S

D

E

D

D

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

V

V

V

H

H

T

S

H

T

P

A

G

G

Y

Y

M

L

V

L

G

G

T

A

F

A

L

L

T

S

T

T

R

K

W

Y

V

I

F

F

N

D

I

I

H

H

N

P

D

E

D

D

V

I

F

L

F

F

C

T

V

A

A

G

D

D

P

V

G

G

W

W

I

I

T

T

G

G

H

H

S

T

Y

Y

I

A

V

L

Y

Y

G

G

P

P

L

L

L

L

N

L

G

G

A

V

T

P

V

T

L

I

L

I

A

F

E

E

G

G

S

T

P

P

D

A

Y

Y

P

P

D

D

P

Y

G

G

R

R

W

F

W

W

H

Q

L

I

V

V

E

E

K

K

Y

H

R

K

V

A

T

T

V

H

F

F

Y

Y

S

V

T

A

P

P

T

T

A

A

I

L

R

R

L

L

Q

L

M

R

R

K

L

A

G

G

K

E

Q

Q

W

E

P

I

E

A

K

K

Y

Y

D

D

L

L

S

S

S

S

L

L

R

R

L

T

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

S

P

P

E

D

A

I

W

W

L

E

W

W

F

Y

R

N

E

E

V

F

T

V

G

G

-

K

G

N

R

Q

L

C

P

H

I

I

M

S

D

D

T
|
T

W
x
Y

W
|
W

Q
|
Q

T
|
T

E

E

T

S

G

G

M

S

H

H

M

L

I

I

T

A

P

P

L

L

P

A

G

G

-

V

V

V

P

P

L

N

V

K

P

P

G

G

S

S

A

A

T

S

R

Y

P

P

F

F

P

F

G

G

V

I

V

D

A

A

D

A

V

L

V

I

N

D

-

P

R

V

Q

T

G

G

E

V

S

E

V

I

A

E

P

G

G

N

E

D

A

A

-

E

G

G

F

V

V

L

I

A

V

I

R

K

Q

D

P

H

W

W

P

P

S

S

M

M

F

A

R

R

T

T

V

V

Y

Y

G

K

D

N

P

H

E

T

R

K

Y

Y

R

M

-

D

K

T

Y

Y

W

M

E

N

E

P

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D
|
D

S

G

A

A

K

A

R

R

D

D

H

H

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

R

G

G

R
|
R

V

V

D

D

D

D

V

V

I

V

K

N

V

V

A

S

G

G

H

H

R
|
R

L

L

G

S

T

T

A

A

E

E

V

I

E

E

S

A

A

A

L

L

V

I

S

E

H

D

P

K

C

K

V

V

S

S

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

H

D

D

E

D

L

I

K

T

G

G

E

Q

V

A

I

V

K

I

A

A

F

Y

V

V

I

A

L

L

R

K

K

E

D

D

A

S

E

E

R

-

T

-

P

-

D

G

L

L

E

R

L

K

R

E

I

L

R

V

Q

L

H

Q

V

V

R

R

E

K

E

T

L

I

G

G

A

P

I

F

A

A

M

A

P

P

D

K

E

S

I

V

E

I

I

I

T

V

E

Q

W

D

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

S

G

N

L

E

P

A

E

D

-

Q

-

L

G

G

D

D

T

I

S

S

T

T

L

L

E

S

D

N

binding 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine: G399 (= G392), E400 (= E393), P401 (= P394), T424 (= T416), Y425 (≠ W417), W426 (= W418), Q427 (= Q419), T428 (= T420), D514 (= D502), I526 (≠ M514), R529 (= R517), R540 (= R528)

8w0dA Crystal structure of acetyl-coa synthetase 2 from candida albicans in complex with an isopropyl amp ester inhibitor
42% identity, 96% coverage: 29:634/634 of query aligns to 34:649/666 of 8w0dA

query
sites
8w0dA

V

V

S

N

D

Q

Y

Y

Q

K

T

Q

I

M

Y

Y

D

E

E

Q

S

S

I

I

R

K

D

D

P

P

E

Q

Q

G

F

F

W

F

G

G

K

P

I

L

A

A

E

K

D

E

F

L

-

L

R

S

W

W

S

D

R

H

K

D

W

F

D

H

R

T

V

V

L

K

D

S

W

G

N

T

P

L

K

K

T

N

Y

G

E

D

A

A

R

A

W

W

F

F

S

L

G

G

S

G

L

E

S

L

N

N

I

A

T

S

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

A

D

F

E

A

G

N

L

-

S

P

N

D

K

K

V

P

A

A

L

L

I

I

A

C

V

E

A

A

D

D

D

D

G

E

S

K

E

D

-

S

R

H

V

I

Y

L

T

T

Y

Y

G

G

R

D

I

L

M

L

D

R

E

E

T

V

N

S

R

K

L

V

C

A

H

G

S

V

F

L

A

Q

E

S

M

W

G

G

L

I

K

K

K

K

G

G

D

D

R

T

V

V

T

A

I

V

F

Y

L

L

P

P

P

M

T

N

P

A

E

Q

Q

A

V

I

I

I

S

A

M

M

I

L

A

A

C

I

A

A

R

R

S

L

G

G

L

A

V

A

H

H

T

S

V

V

V

I

F

F

S

A

G

G

F

F

S

S

A

A

G

G

A

S

L

I

K

K

S

D

R

R

M

V

E

N

D

D

S

A

E

S

P

C

R

K

L

A

L

L

I

I

T

T

A

C

D

D

C

E

A

G

Y

K

R

R

R

G

G

G

K

R

R

T

I

T

A

N

L

I

L

K

D

K

T

L

A

C

R

D

E

E

A

A

K

L

K

V

A

D

I

C

T

P

S

T

L

V

E

E

K

K

T

V

I

L

V

V

I

Y

R

K

R

R

-

T

E

N

N

N

P

P

D

E

L

I

E

H

L

L

E

T

T

E

G

G

-

R

E

D

I

Y

P

Y

F

W

D

D

S

V

L

E

L

T

K

A

K

K

H

F

A

-

S

-

S

P

G

G

F

Y

F

L

K

P

A

P

V

V

D

S

C

V

T

N

T

S

D

E

D

D

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

V

V

V

H

H

T

S

H

T

P

A

G

G

Y

Y

M

L

V

L

G

G

T

A

F

A

L

L

T

S

T

T

R

K

W

Y

V

I

F

F

N

D

I

I

H

H

N

P

D

E

D

D

V

I

F

L

F

F

C

T

V

A

A

G

D

D

P

V

G

G

W

W

I

I

T

T

G

G

H

H

S

T

Y

Y

I

A

V

L

Y

Y

G

G

P

P

L

L

L

L

N

L

G

G

A

V

T

P

V

T

L

I

L

I

A

F

E

E

G

G

S

T

P

P

D

A

Y

Y

P

P

D

D

P

Y

G

G

R

R

W

F

W

W

H

Q

L

I

V

V

E

E

K

K

Y

H

R

K

V

A

T

T

V

H

F

F

Y

Y

S

V

T

A

P

P

T

T

A

A

I

L

R

R

L

L

Q

L

M

R

R

K

L

A

G

G

K

E

Q

Q

W

E

P

I

E

A

K

K

Y

Y

D

D

L

L

S

S

S

S

L

L

R

R

L

T

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

S

P

P

E

D

A

I

W

W

L

E

W

W

F

Y

R

N

E

E

V

F

T

V

G

G

-

K

G

N

R

Q

L

C

P

H

I

I

M

S

D

D

T
|
T

W
x
Y

W
|
W

Q
|
Q

T
|
T

E

E

T

S

G

G

M

S

H

H

M

L

I

I

T

A

P

P

L

L

P

A

G

G

-

V

V

V

P

P

L

N

V

K

P

P

G

G

S

S

A

A

T

S

R

Y

P

P

F

F

P

F

G

G

V

I

V

D

A

A

D

A

V

L

V

I

N

D

-

P

R

V

Q

T

G

G

E

V

S

E

V

I

A

E

P

G

G

N

E

D

A

A

-

E

G

G

F

V

V

L

I

A

V

I

R

K

Q

D

P

H

W

W

P

P

S

S

M

M

F

A

R

R

T

T

V

V

Y

Y

G

K

D

N

P

H

E

T

R

K

Y

Y

R

M

-

D

K

T

Y

Y

W

M

E

N

E

P

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D
|
D

S

G

A

A

K

A

R

R

D

D

H

H

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

R

G

G

R
|
R

V

V

D

D

D

D

V

V

I

V

K

N

V

V

A

S

G

G

H

H

R
|
R

L

L

G

S

T

T

A

A

E

E

V

I

E

E

S

A

A

A

L

L

V

I

S

E

H

D

P

K

C

K

V

V

S

S

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

H

D

D

E

D

L

I

K

T

G

G

E

Q

V

A

I

V

K

I

A

A

F

Y

V

V

I

A

L

L

R

K

K

E

-

G

-

N

D

S

A

D

E

E

R

D

T

S

P

E

D

G

L

L

E

R

L

K

R

E

I

L

R

V

Q

L

H

Q

V

V

R

R

E

K

E

T

L

I

G

G

A

P

I

F

A

A

M

A

P

P

D

K

E

S

I

V

E

I

I

I

T

V

E

Q

W

D

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

S

G

N

L

E

P

A

E

D

-

Q

-

L

G

G

D

D

T

I

S

S

T

T

L

L

E

S

D

N

binding 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine: G398 (= G392), E399 (= E393), P400 (= P394), T423 (= T416), Y424 (≠ W417), W425 (= W418), Q426 (= Q419), T427 (= T420), D513 (= D502), I525 (≠ M514), R528 (= R517), R539 (= R528)

8v4rA Crystal structure of acetyl-coa synthetase 2 in complex with amp and coa from candida albicans (see paper)
42% identity, 96% coverage: 29:634/634 of query aligns to 34:649/666 of 8v4rA

query
sites
8v4rA

V

V

S

N

D

Q

Y

Y

Q

K

T

Q

I

M

Y

Y

D

E

E

Q

S

S

I

I

R

K

D

D

P

P

E

Q

Q

G

F

F

W

F

G

G

K

P

I

L

A

A

E

K

D

E

F

L

-

L

R

S

W

W

S

D

R

H

K

D

W

F

D

H

R

T

V

V

L

K

D

S

W

G

N

T

P

L

K

K

T

N

Y

G

E

D

A

A

R

A

W

W

F

F

S

L

G

G

S

G

L

E

S

L

N

N

I

A

T

S

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

A

D

F

E

A

G

N

L

-

S

P

N

D

K

K

V

P

A

A

L

L

I

I

A

C

V

E

A

A

D

D

D

D

G

E

S

K

E

D

-

S

R

H

V

I

Y

L

T

T

Y

Y

G

G

R

D

I

L

M

L

D

R

E

E

T

V

N

S

R

K

L

V

C

A

H

G

S

V

F

L

A

Q

E

S

M

W

G

G

L

I

K

K

K

K

G

G

D

D

R

T

V

V

T

A

I

V

F

Y

L

L

P

P

P

M

T

N

P

A

E

Q

Q

A

V

I

I

I

S

A

M

M

I

L

A

A

C

I

A

A

R

R

S

L

G

G

L

A

V

A

H

H

T

S

V

V

V

I

F
|
F

S

A

G

G

F

F

S

S

A

A

G

G

A

S

L

I

K

K

S

D

R

R

M

V

E

N

D

D

S

A

E

S

P

C

R

K

L

A

L

L

I

I

T

T

A

C

D

D

C

E

A

G

Y

K

R
|
R

R

G

G

G

K
x
R

R

T

I

T

A

N

L

I

L

K

D

K

T

L

A

C

R

D

E

E

A

A

K

L

K

V

A

D

I

C

T

P

S

T

L

V

E

E

K

K

T

V

I

L

V

V

I

Y

R

K

R

R

-

T

E

N

N

N

P

P

D

E

L

I

E

H

L

L

E

T

T

E

G

G

-

R

E

D

I

Y

P

Y

F

W

D

D

S

V

L

E

L

T

K

A

K

K

H

F

A

-

S

-

S

P

G

G

F

Y

F

L

K

P

A

P

V

V

D

S

C

V

T

N

T

S

D

E

D

D

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

V

V

V

H

H

T

S

H

T

P

A

G

G

Y

Y

M

L

V

L

G

G

T

A

F

A

L

L

T

S

T

T

R

K

W

Y

V

I

F

F

N

D

I

I

H

H

N

P

D

E

D

D

V

I

F

L

F

F

C

T

V

A

A
x
G

D

D

P

V

G

G

W

W

I

I

T

T

G

G

H

H

S

T

Y

Y

I

A

V

L

Y

Y

G

G

P

P

L

L

L

L

N

L

G

G

A

V

T

P

V

T

L

I

L

I

A

F

E

E

G

G

S

T

P

P

D

A

Y

Y

P

P

D

D

P

Y

G

G

R

R

W

F

W

W

H

Q

L

I

V

V

E

E

K

K

Y

H

R

K

V

A

T

T

V

H

F

F

Y

Y

S

V

T

A

P

P

T

T

A

A

I

L

R

R

L

L

Q

L

M

R

R

K

L

A

G

G

K

E

Q

Q

W

E

P

I

E

A

K

K

Y

Y

D

D

L

L

S

S

S

S

L

L

R

R

L

T

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

S

P

P

E

D

A

I

W

W

L

E

W

W

F

Y

R

N

E

E

V

F

T

V

G

G

-

K

G

N

R

Q

L

C

P

H

I

I

M

S

D

D

T
|
T

W
x
Y

W

W

Q
|
Q

T
|
T

E

E

T

S

G

G

M

S

H

H

M

L

I

I

T

A

P

P

L

L

P

A

G

G

-

V

V

V

P

P

L

N

V

K

P

P

G

G

S

S

A

A

T

S

R

Y

P

P

F

F

P

F

G

G

V

I

V

D

A

A

D

A

V

L

V

I

N

D

-

P

R

V

Q

T

G

G

E

V

S

E

V

I

A

E

P

G

G

N

E

D

A

A

-

E

G

G

F

V

V

L

I

A

V

I

R

K

Q

D

P

H

W

W

P

P

S

S

M

M

F

A

R

R

T

T

V

V

Y

Y

G

K

D

N

P

H

E

T

R

K

Y

Y

R

M

-

D

K

T

Y

Y

W

M

E

N

E

P

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D
|
D

S

G

A

A

K

A

R

R

D

D

H

H

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

R

G

G

R
|
R

V

V

D

D

D

D

V

V

I

V

K

N

V

V

A

S

G

G

H
|
H

R
|
R

L

L

G

S

T

T

A

A

E

E

V

I

E

E

S

A

A

A

L

L

V

I

S

E

H

D

P

K

C

K

V

V

S

S

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

H

D

D

E

D

L

I

K

T

G

G

E

Q

V

A

I

V

K

I

A

A

F

Y

V

V

I

A

L

L

R

K

K

E

-

G

-

N

D

S

A

D

E

E

R

D

T

S

P

E

D

G

L

L

E

R

L

K

R

E

I

L

R

V

Q

L

H

Q

V

V

R
|
R

E

K

E

T

L

I

G

G

A

P

I
x
F

A

A

M

A

P

P

D

K

E

S

I

V

E

I

I

I

T

V

E

Q

W

D

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

S

G

N

L

E

P

A

E

D

-

Q

-

L

G

G

D

D

T

I

S

S

T

T

L

L

E

S

D

N

binding adenosine monophosphate: G398 (= G392), E399 (= E393), P400 (= P394), T423 (= T416), Y424 (≠ W417), Q426 (= Q419), T427 (= T420), D513 (= D502), I525 (≠ M514), R528 (= R517), R539 (= R528)
binding coenzyme a: F175 (= F169), R203 (= R197), R206 (≠ K200), G316 (≠ A310), H538 (= H527), R599 (= R586), F605 (≠ I592)

8w0cA Crystal structure of acetyl-coa synthetase 2 from candida albicans in complex with a cyclopentyl ester amp inhibitor
42% identity, 96% coverage: 29:634/634 of query aligns to 35:650/667 of 8w0cA

query
sites
8w0cA

V

V

S

N

D

Q

Y

Y

Q

K

T

Q

I

M

Y

Y

D

E

E

Q

S

S

I

I

R

K

D

D

P

P

E

Q

Q

G

F

F

W

F

G

G

K

P

I

L

A

A

E

K

D

E

F

L

-

L

R

S

W

W

S

D

R

H

K

D

W

F

D

H

R

T

V

V

L

K

D

S

W

G

N

T

P

L

K

K

T

N

Y

G

E

D

A

A

R

A

W

W

F

F

S

L

G

G

S

G

L

E

S

L

N

N

I

A

T

S

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

A

D

F

E

A

G

N

L

-

S

P

N

D

K

K

V

P

A

A

L

L

I

I

A

C

V

E

A

A

D

D

D

D

G

E

S

K

E

D

-

S

R

H

V

I

Y

L

T

T

Y

Y

G

G

R

D

I

L

M

L

D

R

E

E

T

V

N

S

R

K

L

V

C

A

H

G

S

V

F

L

A

Q

E

S

M

W

G

G

L

I

K

K

K

K

G

G

D

D

R

T

V

V

T

A

I

V

F

Y

L

L

P

P

P

M

T

N

P

A

E

Q

Q

A

V

I

I

I

S

A

M

M

I

L

A

A

C

I

A

A

R

R

S

L

G

G

L

A

V

A

H

H

T

S

V

V

V

I

F

F

S

A

G

G

F

F

S

S

A

A

G

G

A

S

L

I

K

K

S

D

R

R

M

V

E

N

D

D

S

A

E

S

P

C

R

K

L

A

L

L

I

I

T

T

A

C

D

D

C

E

A

G

Y

K

R

R

R

G

G

G

K

R

R

T

I

T

A

N

L

I

L

K

D

K

T

L

A

C

R

D

E

E

A

A

K

L

K

V

A

D

I

C

T

P

S

T

L

V

E

E

K

K

T

V

I

L

V

V

I

Y

R

K

R

R

-

T

E

N

N

N

P

P

D

E

L

I

E

H

L

L

E

T

T

E

G

G

-

R

E

D

I

Y

P

Y

F

W

D

D

S

V

L

E

L

T

K

A

K

K

H

F

A

-

S

-

S

P

G

G

F

Y

F

L

K

P

A

P

V

V

D

S

C

V

T

N

T

S

D

E

D

D

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

V

V

V

H

H

T

S

H

T

P

A

G

G

Y

Y

M

L

V

L

G

G

T

A

F

A

L

L

T

S

T

T

R

K

W

Y

V

I

F

F

N

D

I

I

H

H

N

P

D

E

D

D

V

I

F

L

F

F

C

T

V

A

A

G

D

D

P

V

G

G

W

W

I

I

T

T

G

G

H

H

S

T

Y

Y

I

A

V

L

Y

Y

G

G

P

P

L

L

L

L

N

L

G

G

A

V

T

P

V

T

L

I

L

I

A

F

E

E

G

G

S

T

P

P

D

A

Y

Y

P

P

D

D

P

Y

G

G

R

R

W

F

W

W

H

Q

L

I

V

V

E

E

K

K

Y

H

R

K

V

A

T

T

V

H

F

F

Y

Y

S

V

T

A

P

P

T

T

A

A

I

L

R

R

L

L

Q

L

M

R

R

K

L

A

G

G

K

E

Q

Q

W

E

P

I

E

A

K

K

Y

Y

D

D

L

L

S

S

S

S

L

L

R

R

L

T

L

L

G

G

S

S

V

V

G
|
G

E
|
E

P
|
P

I

I

N

S

P

P

E

D

A

I

W

W

L

E

W

W

F

Y

R

N

E

E

V

F

T

V

G

G

-

K

G

N

R

Q

L

C

P

H

I

I

M

S

D

D

T
|
T

W
x
Y

W
|
W

Q
|
Q

T
|
T

E

E

T

S

G

G

M

S

H

H

M

L

I

I

T

A

P

P

L

L

P

A

G

G

-

V

V

V

P

P

L

N

V

K

P

P

G

G

S

S

A

A

T

S

R

Y

P

P

F

F

P

F

G

G

V

I

V

D

A

A

D

A

V

L

V

I

N

D

-

P

R

V

Q

T

G

G

E

V

S

E

V

I

A

E

P

G

G

N

E

D

A

A

-

E

G

G

F

V

V

L

I

A

V

I

R

K

Q

D

P

H

W

W

P

P

S

S

M

M

F

A

R

R

T

T

V

V

Y

Y

G

K

D

N

P

H

E

T

R

K

Y

Y

R

M

-

D

K

T

Y

Y

W

M

E

N

E

P

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D
|
D

S

G

A

A

K

A

R

R

D

D

H

H

H

D

G

G

L

Y

F

Y

H

W

M

I

I

R

G

G

R
|
R

V

V

D

D

D

D

V

V

I

V

K

N

V

V

A

S

G

G

H

H

R
|
R

L

L

G

S

T

T

A

A

E

E

V

I

E

E

S

A

A

A

L

L

V

I

S

E

H

D

P

K

C

K

V

V

S

S

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

H

D

D

E

D

L

I

K

T

G

G

E

Q

V

A

I

V

K

I

A

A

F

Y

V

V

I

A

L

L

R

K

K

E

-

G

-

N

D

S

A

D

E

E

R

D

T

S

P

E

D

G

L

L

E

R

L

K

R

E

I

L

R

V

Q

L

H

Q

V

V

R

R

E

K

E

T

L

I

G

G

A

P

I

F

A

A

M

A

P

P

D

K

E

S

I

V

E

I

I

I

T

V

E

Q

W

D

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

S

G

N

L

E

P

A

E

D

-

Q

-

L

G

G

D

D

T

I

S

S

T

T

L

L

E

S

D

N

binding 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine: G399 (= G392), E400 (= E393), P401 (= P394), T424 (= T416), Y425 (≠ W417), W426 (= W418), Q427 (= Q419), T428 (= T420), D514 (= D502), R529 (= R517), R540 (= R528)

8w0bA Crystal structure of acetyl-coa synthetase 2 from candida albicans in complex with a cyclopropyl amp ester inhibitor
42% identity, 96% coverage: 29:634/634 of query aligns to 35:650/667 of 8w0bA

query
sites
8w0bA

V

V

S

N

D

Q

Y

Y

Q

K

T

Q

I

M

Y

Y

D

E

E

Q

S

S

I

I

R

K

D

D

P

P

E

Q

Q

G

F

F

W

F

G

G

K

P

I

L

A

A

E

K

D

E

F

L

-

L

R

S

W

W

S

D

R

H

K

D

W

F

D

H

R

T

V

V

L

K

D

S

W

G

N

T

P

L

K

K

T

N

Y

G

E

D

A

A

R

A

W

W

F

F

S

L

G

G

S

G

L

E

S

L

N

N

I

A

T

S

T

Y

N

N

M

C

L

V

D

D

R

R

H

H

I

A

D

F

E

A

G

N

L

-

S

P

N

D

K

K

V

P

A

A

L

L

I

I

A

C

V

E

A

A

D

D

D

D

G

E

S

K

E

D

-

S

R

H

V

I

Y

L

T

T

Y

Y

G

G

R

D

I

L

M

L

D

R

E

E

T

V

N

S

R

K

L

V

C

A

H

G

S

V

F

L

A

Q

E

S

M

W

G

G

L

I

K

K

K

K

G

G

D

D

R

T

V

V

T

A

I

V

F

Y

L

L

P

P

P

M

T

N

P

A

E

Q

Q

A

V

I

I

I

S

A

M

M

I

L

A

A

C

I

A

A

R

R

S

L

G

G

L

A

V

A

H

H

T

S

V

V

V

I

F

F

S

A

G

G

F

F

S

S

A

A

G

G

A

S

L

I

K

K

S

D

R

R

M

V

E

N

D

D

S

A

E

S

P

C

R

K

L

A

L

L

I

I

T

T

A

C

D

D

C

E

A

G

Y

K

R

R

R

G

G

G

K

R

R

T

I

T

A

N

L

I

L

K

D

K

T

L

A

C

R

D

E

E

A

A

K

L

K

V

A

D

I

C

T

P

S

T

L

V

E

E

K

K

T

V

I

L

V

V

I

Y

R

K

R

R

-

T

E

N

N

N

P

P

D

E

L

I

E

H

L

L

E

T

T

E

G

G

-

R

E

D

I

Y

P

Y

F

W

D

D

S

V

L

E

L

T

K

A

K

K

H

F

A

-

S

-

S

P

G

G

F

Y

F

L

K

P

A

P

V

V

D

S

C

V

T

N

T

S

D

E

D

D

P

P

L

L

F

F

I

L

L

L

Y

Y

T

T

S

S

G

G

T

S

T

T

G

G

K

T

P

P

K

K

G

G

I

V

V

V

H

H

T

S

H

T

P

A

G

G

Y

Y

M

L

V

L

G

G

T

A

F

A

L

L

T

S

T

T

R

K

W

Y

V

I

F

F

N

D

I

I

H

H

N

P

D

E

D

D

V

I

F

L

F

F

C

T

V

A

A

G

D

D

P

V

G

G

W

W

I

I

T

T

G

G

H

H

S

T

Y

Y

I

A

V

L

Y

Y

G

G

P

P

L

L

L

L

N

L

G

G

A

V

T

P

V

T

L

I

L

I

A

F

E

E

G

G

S

T

P

P

D

A

Y

Y

P

P

D

D

P

Y

G

G

R

R

W

F

W

W

H

Q

L

I

V

V

E

E

K

K

Y

H

R

K

V

A

T

T

V

H

F

F

Y

Y

S

V

T

A

P

P

T

T

A

A

I

L

R

R

L

L

Q

L

M

R

R

K

L

A

G

G

K

E

Q

Q

W

E

P

I

E

A

K

K

Y

Y

D

D

L

L

S

S

S

S

L

L

R

R

L

T

L

L

G

G

S

S

V
|
V

G
|
G

E
|
E

P
|
P

I

I

N

S

P

P

E

D

A

I

W

W

L

E

W

W

F

Y

R

N

E

E

V

F

T

V

G

G

-

K

G

N

R

Q

L

C

P

H

I

I

M

S

D

D

T
|
T

W
x
Y

W
|
W

Q
|
Q

T
|
T

E

E

T

S

G

G

M

S

H

H

M

L

I

I

T

A

P

P

L

L

P

A

G

G

-

V

V

V

P

P

L

N

V

K

P

P

G

G

S

S

A

A

T

S

R

Y

P

P

F

F

P

F

G

G

V

I

V

D

A

A

D

A

V

L

V

I

N

D

-

P

R

V

Q

T

G

G

E

V

S

E

V

I

A

E

P

G

G

N

E

D

A

A

-

E

G

G

F

V

V

L

I

A

V

I

R

K

Q

D

P

H

W

W

P

P

S

S

M

M

F

A

R

R

T

T

V

V

Y

Y

G

K

D

N

P

H

E

T

R

K

Y

Y

R

M

-

D

K

T

Y

Y

W

M

E

N

E

P

I

Y

P

P

G

G

V

Y

Y

Y

F

F

S

T

G

G

D
|
D

S

G

A

A

K

A

R

R

D

D

H

H

H

D

G

G

L

Y

F

Y

H

W

M
x
I

I

R

G

G

R
|
R

V

V

D

D

D

D

V

V

I

V

K

N

V

V

A

S

G

G

H

H

R
|
R

L

L

G

S

T

T

A

A

E

E

V

I

E

E

S

A

A

A

L

L

V

I

S

E

H

D

P

K

C

K

V

V

S

S

E

E

A

A

A

A

V

V

I

V

G

G

K

I

P

H

D

D

E

D

L

I

K

T

G

G

E

Q

V

A

I

V

K

I

A

A

F

Y

V

V

I

A

L

L

R

K

K

E

-

G

-

N

D

S

A

D

E

E

R

D

T

S

P

E

D

G

L

L

E

R

L

K

R

E

I

L

R

V

Q

L

H

Q

V

V

R

R

E

K

E

T

L

I

G

G

A

P

I

F

A

A

M

A

P

P

D

K

E

S

I

V

E

I

I

I

T

V

E

Q

W

D

L

L

P

P

R

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

R

R

V

I

L

L

K

R

A

K

R

V

E

S

L

S

G

N

L

E

P

A

E

D

-

Q

-

L

G

G

D

D

T

I

S

S

T

T

L

L

E

S

D

N

binding 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine: V398 (= V391), G399 (= G392), E400 (= E393), P401 (= P394), T424 (= T416), Y425 (≠ W417), W426 (= W418), Q427 (= Q419), T428 (= T420), D514 (= D502), I526 (≠ M514), R529 (= R517), R540 (= R528)

Query Sequence

>WP_014448327.1 NCBI__GCF_000284315.1:WP_014448327.1
MDNPADSPKSLTESNPFLPDPDLLETLHVSDYQTIYDESIRDPEQFWGKIAEDFRWSRKW
DRVLDWNPKTYEARWFSGSLSNITTNMLDRHIDEGLSNKVALIAVADDGSERVYTYGRIM
DETNRLCHSFAEMGLKKGDRVTIFLPPTPEQVISMIACARSGLVHTVVFSGFSAGALKSR
MEDSEPRLLITADCAYRRGKRIALLDTAREAKKAITSLEKTIVIRRENPDLELETGEIPF
DSLLKKHASSGFFKAVDCTTDDPLFILYTSGTTGKPKGIVHTHPGYMVGTFLTTRWVFNI
HNDDVFFCVADPGWITGHSYIVYGPLLNGATVLLAEGSPDYPDPGRWWHLVEKYRVTVFY
STPTAIRLQMRLGKQWPEKYDLSSLRLLGSVGEPINPEAWLWFREVTGGRLPIMDTWWQT
ETGMHMITPLPGVPLVPGSATRPFPGVVADVVNRQGESVAPGEAGFVIVRQPWPSMFRTV
YGDPERYRKYWEEIPGVYFSGDSAKRDHHGLFHMIGRVDDVIKVAGHRLGTAEVESALVS
HPCVSEAAVIGKPDELKGEVIKAFVILRKDAERTPDLELRIRQHVREELGAIAMPDEIEI
TEWLPRTRSGKIMRRVLKARELGLPEGDTSTLED

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory