SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Dsui_2003 Dsui_2003 acetate--CoA ligase 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)

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)
53% identity, 95% coverage: 32:656/658 of query aligns to 24:647/652 of P27550

query
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P27550

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K609 (= K622) modified: N6-acetyllysine; by autocatalysis

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)
52% identity, 98% coverage: 14:656/658 of query aligns to 12:650/651 of P9WQD1

query
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P9WQD1

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K617 (= K622) modified: N6-acetyllysine; mutation to R: Complete loss of acetyl-coenzyme A synthetase activity.

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)
52% identity, 98% coverage: 9:653/658 of query aligns to 1:638/648 of Q89WV5

query
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Q89WV5

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C

Y

K

A

E

R

A

S

E

I

T

S

D

D

Y

P

T

N

G

G

Y

F

W

W

G

A

R

E

L

Q

A

A

K

K

E

R

H

-

V

I

V

D

W

W

K

M

Q

K

P

A

F

P

T

T

S

K

V

I

L

E

D

N

E

V

S

S

N

F

A

A

P

P

-

G

-

N

-

V

F

S

Y

I

K

K

W

W

F

F

A

E

D

D

G

G

K

V

L

L

N

N

V

V

S

A

Y

H

N

N

C

C

L

I

D

D

K

R

N

H

V

L

E

H

A

K

G

-

L

R

G

A

D

N

K

Q

V

T

A

A

I

I

F

W

E

E

A

G

D

D

G

D

G

P

A

S

V

Q

S

S

K

R

-

H

V

I

T

T

Y

Y

K

K

E

E

L

L

L

H

S

D

R

E

V

V

A

C

K

R

F

M

A

A

N

N

A

I

L

L

K

R

A

T

K

R

G

N

I

V

K

K

G

G

D

D

R

R

V

V

I

T

I

I

Y

Y

L

L

P

P

M

M

S

I

I

P

E

E

G

A

I

A

V

Y

A

A

M

M

Q

L

A

A

C

C

A

A

R

R

I

I

G

G

A

A

I

I

H

H

S

S

V

V

F

F

G

A

G

G

F

F

S

S

A

P

K

D

S

S

L

L

E

A

E

Q

R

R

I

I

L

N

D

D

A

C

G

Q

A

S

V

K

A

V

V

I

I

I

T

T

A

A

D

D

E

E

Q

G

T

L

R

R

G

G

K

K

N

K

I

V

P

P

L

L

K

K

P

A

A

N

V

V

D

D

E

A

A

A

L

L

T

A

L

K

V

A

G

D

A

G

N

-

S

-

P

-

V

V

K

D

T

W

V

V

I

V

V

V

A

V

K

K

R

R

T

T

G

G

A

K

C

I

N

D

M

M

V

N

A

P

G

T

R

R

D

D

V

L

W

W

W

Y

T

H

D

E

A

A

E

A

A

A

G

M

Q

V

S

T

D

T

I

E

C

C

E

P

P

V

E

E

W

H

V

M

E

H

A

A

E

E

H

D

P

P

L

L

F

F

L

I

L

L

Y

Y

T

T

S

S

G
|
G

S

S

T

T

G
|
G

K

Q

P

P

K
|
K

G

G

V

V

Q

L

H

H

S

T

S

S

G

A

G

G

Y

Y

L

L

L

V

H

Y

A

A

L

M

T

T

M

H

K

Q

W

Y

T

V

F

F

D

D

I

Y

K

H

P

D

D

G

D

D

V

I

F

Y

W

W

C

C

T

T

A

A

D

D

I

V

G

G

W

W

V

V

T

T

G

G

H

H

T

S

Y

Y

I

I

T

L

Y

Y

G

G

P

P

L

L

A

A

C

N

G

G

A

A

T

T

E

T

I

L

V

M

F

F

E

E

G

G

V

V

P

P

T

N

F

Y

P

P

D

D

A

N

G

S

R

R

F

F

W

W

K

N

M

V

I

I

Q

D

D

K

H

H

K

K

V

V

S

N

I

T

F

F

Y

Y

T

T

A

A

P

P

T

T

A

A

I

I

R

R

S

A

L

L

I

M

K

Q

A

G

G

G

A

D

D

E

L

P

P

V

K

K

Y

T

D

S

L

R

T

A

S

S

L

L

R

R

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

M

E

W

W

Y

Y

Y

H

N

R

E

V

I

V

G

G

G

E

G

D

R

R

C

C

P

P

I

I

V

V

D

D

T

T

F

W

W

W

Q

Q

T

T

E
|
E

T

T

G

G

H

I

M

L

I

I

T

T

P

P

L

L

P

P

G

G

V

A

T

T

P

K

L

L

V

K

P

P

G

G

S

S

C

A

T

T

L

Q

P

P

F

F

P

F

G

G

I

V

Q

V

A

P

A

E

I

I

V

V

D

D

E

A

T

D

G

G

H

K

E

V

L

L

E

E

W

G

G

E

K

T

G

T

G

G

F

N

L

L

V

C

V

L

K

T

K

R

P

A

W

W

P

P

S

G

M

M

I

M

R

R

T

T

I

V

W

Y

G

G

D

D

P

H

E

A

R

R

F

F

K

E

K

Q

S

T

Y

Y

Y

F

P

S

E

T

D

Y

L

K

G

G

G

K

R

-

L

-

Y

Y

L

F

A

T

G

G

D

D

G

G

A

C

V

R

R

R

N

D

A

A

K

D

T

-

G

G

N

Y

F

Y

T

W

I

I

T

T

G

G

R

R

I

V

D

D

V

V

L

I

N

N

V

V

S

S

G

G

H

H

R

R

M

M

G

G

T

T

M

A

E

E

I

V

E

E

S

S

A

A

L

L

V

V

A

A

N

H

P

E

L

K

V

V

A

S

E

E

A

A

V

V

G

G

R

F

P

P

D

H

D

D

L

I

T

K

G

G

E

Q

A

G

I

I

C

Y

A

A

F

Y

V

V

V

T

L

L

K

M

G

A

S

G

R

V

P

Q

S

P

G

T

E

E

D

D

A

L

K

R

R

-

V

-

I

-

K

K

E

E

L

L

Q

V

D

T

W

W

V

V

G

R

K

K

E

E

I

I

G

G

P

P

I

I

A

A

K

S

P

P

K

D

D

Q

I

I

R

Q

F

F

G

A

E

P

N

G

L

L

P

P

K

K

T

T

R

R

S

S

G

G

K

K

I

I

M

M

R

R

L

I

L

L

R

R

S

K

L

I

A

A

K

E

G

D

E

E

E

P

V

G

T

S

Q

L

-

G

D

D

V

T

S

S

T

T

L

L

E

A

N

D

P

P

A

A

I

V

L

V

E

D

Q

D

L

L

G263 (= G273) mutation to I: Loss of activity.
G266 (= G276) mutation to I: Great decrease in activity.
K269 (= K279) mutation to G: Great decrease in activity.
E414 (= E424) mutation to Q: Great decrease in activity.

2p20A Acetyl-coa synthetase, r584a mutation (see paper)
52% identity, 95% coverage: 32:656/658 of query aligns to 20:641/641 of 2p20A

query
sites
2p20A

Y

Y

E

E

A

T

L

K

C

Y

K

K

E

Q

A

S

E

I

T

N

D

D

Y

P

T

D

G

T

Y

F

W

W

G

G

R

E

L

Q

A

G

K

K

E

I

H

-

V

L

V

D

W

W

K

I

Q

T

P

P

F

Y

T

Q

S

K

V

V

L

K

D

N

E

T

S

S

N

F

A

A

P

P

-

G

-

N

-

V

F

S

Y

I

K

K

W

W

F

Y

A

E

D

D

G

G

K

T

L

L

N

N

V

L

S

A

Y

A

N

N

C

C

L

L

D

D

K

R

N

H

V

L

E

Q

A

E

G

N

L

-

G

G

D

D

K

R

V

T

A

A

I

I

F

W

E

E

A

G

D

D

G

D

G

T

A

S

V

Q

S

S

K

K

-

H

V

I

T

S

Y

Y

K

R

E

E

L

L

L

H

S

R

R

D

V

V

A

C

K

R

F

F

A

A

N

N

A

T

L

L

K

L

A

D

K

L

G

G

I

I

K

K

G

G

D

D

R

V

V

V

I

A

I

I

Y

Y

L

M

P

P

M

M

S

V

I

P

E

E

G

A

I

A

V

V

A

A

M

M

Q

L

A

A

C

C

A

A

R

R

I

I

G

G

A

A

I

V

H

H

S

S

V

V

V

I

F

F

G

G

F

F

S

S

A

P

K

E

S

A

L

V

E

A

E

G

R

R

I

I

L

I

D

D

A

S

G

S

A

S

V

R

A

L

V

V

I

I

T

T

A

A

D

D

E

E

Q

G

T

V

R

R

G

A

G

G

K

R

N

S

I

I

P

P

L

L

K

K

P

K

A

N

V

V

D

D

E

D

A

A

L

L

T

K

L

N

V

P

G

N

A

V

N

T

S

S

P

-

V

V

K

E

T

H

V

V

I

I

V

V

A

L

K

K

R

R

T

T

G

G

G

S

A

D

C

I

N

D

M

W

V

Q

A

E

G

G

R

R

D

D

V

L

W

W

T

R

D

D

A

L

E

I

A

E

G

K

Q

A

S

S

D

P

I

E

C

H

E

Q

P

P

E

E

W

A

V

M

E

N

A

A

E

E

H

D

P

P

L

L

F

F

L

I

L

L

Y

Y

T
|
T

S

S

G

G

S

S

T

T

G

G

K

K

P

P

K

K

G

G

V

V

Q

L

H

H

S

T

G

G

Y

Y

L

L

L

V

H

Y

A

A

L

T

T

T

M

F

K

K

W

Y

T

V

F

F

D

D

I

Y

K

H

P

P

D

G

D

D

V

I

F

Y

W

W

C

C

T

T

A

A

D

D

I

V

G

G

W

W

V
|
V

T
|
T

G

G

H

H

T

S

Y

Y

I

L

T

L

Y

Y

G

G

P

P

L

L

A

A

C

C

G

G

A

A

T

T

E

T

I

L

V

M

F

F

E

E

G

G

V

V

P

P

T

N

F

W

P

P

D

T

A

P

G

A

R

R

F

M

W

C

K

Q

M

V

I

V

Q

D

D

K

H

H

K

Q

V

V

S

N

I

I

F

L

Y

Y

T

T

A

A

P

P

T

T

A

A

I

I

R

R

S

A

L

L

I

M

K

A

A

E

G

G

A

D

D

K

L

A

P

I

K

E

K

G

Y

T

D

D

L

R

T

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

M

E

W

W

Y

Y

Y

W

N

K

E

K

I

I

G

G

G

K

G

E

R

K

C

C

P

P

I

V

V

V

D
|
D

T
|
T

F
x
W

W
|
W

Q
|
Q

T
|
T

E
|
E

T

T

G

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

V

A

T

I

P

E

L

L

V

K

P

A

G

G

S

S

C

A

T

T

L

R

P

P

F

F

P

F

G

G

I

V

Q

Q

A

P

A

A

I

L

V

V

D

D

E

N

T

E

G

G

H

H

E

P

L

Q

E

E

W

G

G

A

K

T

G

E

G

G

F

N

L

L

V

V

V

I

K

T

K

D

P

S

W

W

P

P

S

G

M

Q

I

A

R

R

T

T

I

L

W

F

G

G

D

D

P

H

E

E

R

R

F

F

K

E

K

Q

S

T

Y

Y

Y

F

P

-

E

-

D

S

L

T

G

F

G

K

R

N

L

M

Y

Y

L

F

A

S

G

G

D
|
D

G

G

A

A

V

R

R

R

N

D

A

-

K

E

T

D

G

G

N

Y

F

Y

T

W

I
|
I

T

T

G

G

R
|
R

I

V

D

D

V

V

L

L

N
|
N

V

V

S

S

G

G

H

H

R
|
R

M

L

G

G

T

T

M

A

E

E

I

I

E

E

S

S

A

A

L

L

V

V

A

A

N

H

P

P

L

K

V

I

A

A

E

E

A

A

V

V

G

G

R

I

P

P

D

H

D

A

L

I

T

K

G

G

E

Q

A

A

I

I

C

Y

A

A

F

Y

V

V

V

T

L

L

K

N

-

H

G

G

S

E

R

E

P

P

S

S

G

P

E

E

D

-

A

-

K

-

R

-

V

L

I

Y

K

A

E

E

L

V

Q

R

D

N

W

W

V

V

G

A

K

K

E

E

I

I

G

G

P

P

I

L

A

A

K

T

P

P

K

D

D

V

I

L

R

H

F

W

G

T

E

D

N

S

L

L

P

P

K

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

L

I

L

L

R

R

S

K

L

I

A

A

K

A

G

G

E

-

E

D

V

T

T

S

Q

N

D

D

V

T

S

S

T

T

L

L

E

A

N

D

P

P

A

G

I

V

L

V

E

E

Q

K

L

L

-

L

-

E

K

K

Q

Q

A

A

active site: T260 (= T271), T412 (= T423), E413 (= E424), N517 (= N531), R522 (= R536), K605 (= K622)
binding adenosine-5'-monophosphate-propyl ester: V306 (= V317), T307 (= T318), G383 (= G394), E384 (= E395), P385 (= P396), D407 (= D418), T408 (= T419), W409 (≠ F420), W410 (= W421), Q411 (= Q422), T412 (= T423), D496 (= D509), I508 (= I522), R511 (= R525), N517 (= N531), R522 (= R536)

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)
52% identity, 95% coverage: 32:658/658 of query aligns to 24:649/652 of Q8ZKF6

query
sites
Q8ZKF6

Y

Y

E

E

A

T

L

K

C

Y

K

K

E

Q

A

S

E

I

T

N

D

D

Y

P

T

D

G

T

Y

F

W

W

G

G

R

E

L

Q

A

G

K

K

E

I

H

-

V

L

V

D

W

W

K

I

Q

T

P

P

F

Y

T

Q

S

K

V

V

L

K

D

N

E

T

S

S

N

F

A

A

P

P

-

G

-

N

-

V

F

S

Y

I

K

K

W

W

F

Y

A

E

D

D

G

G

K

T

L

L

N

N

V

L

S

A

Y

A

N

N

C

C

L

L

D

D

K

R

N

H

V

L

E

Q

A

E

G

N

L

-

G

G

D

D

K

R

V

T

A

A

I

I

F

W

E

E

A

G

D

D

G

D

G

T

A

S

V

Q

S

S

K

K

-

H

V

I

T

S

Y

Y

K

R

E

E

L

L

L

H

S

R

R

D

V

V

A

C

K

R

F

F

A

A

N

N

A

T

L

L

K

L

A

D

K

L

G

G

I

I

K

K

G

G

D

D

R

V

V

V

I

A

I

I

Y

Y

L

M

P

P

M

M

S

V

I

P

E

E

G

A

I

A

V

V

A

A

M

M

Q

L

A

A

C

C

A

A

R

R

I

I

G

G

A

A

I

V

H

H

S

S

V

V

V

I

F

F

G

G

F

F

S

S

A

P

K

E

S

A

L

V

E

A

E

G

R

R

I

I

L

I

D

D

A

S

G

S

A

S

V

R

A

L

V

V

I

I

T

T

A

A

D

D

E

E

Q

G

T

V

R

R

G

A

G

G

K
x
R

N

S

I

I

P

P

L

L

K

K

P

K

A

N

V

V

D

D

E

D

A

A

L

L

T

K

L

N

V

P

G

N

A

V

N

T

S

S

P

-

V

V

K

E

T

H

V

V

I

I

V

V

A

L

K

K

R

R

T

T

G

G

G

S

A

D

C

I

N

D

M

W

V

Q

A

E

G

G

R

R

D

D

V

L

W

W

T

R

D

D

A

L

E

I

A

E

G

K

Q

A

S

S

D

P

I

E

C

H

E

Q

P

P

E

E

W

A

V

M

E

N

A

A

E

E

H

D

P

P

L

L

F

F

L

I

L

L

Y

Y

T

T

S

S

G

G

S

S

T

T

G

G

K

K

P

P

K

K

G

G

V

V

Q

L

H

H

S

T

G

G

Y

Y

L

L

L

V

H

Y

A

A

L

T

T

T

M

F

K

K

W

Y

T

V

F

F

D

D

I

Y

K

H

P

P

D

G

D

D

V

I

F

Y

W

W

C

C

T

T

A

A

D

D

I

V

G

G

W

W

V

V

T
|
T

G

G

H

H

T

S

Y

Y

I

L

T

L

Y

Y

G

G

P

P

L

L

A

A

C

C

G

G

A

A

T

T

E

T

I

L

V

M

F

F

E

E

G

G

V

V

P

P

T
x
N

F

W

P

P

D

T

A

P

G

A

R

R

F

M

W

C

K

Q

M

V

I

V

Q

D

D

K

H

H

K

Q

V

V

S

N

I

I

F

L

Y

Y

T

T

A
|
A

P

P

T

T

A

A

I

I

R

R

S

A

L

L

I

M

K

A

A

E

G

G

A

D

D

K

L

A

P

I

K

E

K

G

Y

T

D

D

L

R

T

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

M

E

W

W

Y

Y

Y

W

N

K

E

K

I

I

G

G

G

K

G

E

R

K

C

C

P

P

I

V

V

V

D

D

T

T

F

W

W

W

Q

Q

T

T

E

E

T

T

G

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

V

A

T

I

P

E

L

L

V

K

P

A

G

G

S

S

C

A

T

T

L

R

P

P

F

F

P

F

G

G

I

V

Q

Q

A

P

A

A

I

L

V

V

D

D

E

N

T

E

G

G

H

H

E

P

L

Q

E

E

W

G

G

A

K

T

G

E

G

G

F

N

L

L

V

V

V

I

K

T

K

D

P

S

W

W

P

P

S

G

M

Q

I

A

R

R

T

T

I

L

W

F

G

G

D

D

P

H

E

E

R

R

F

F

K

E

K

Q

S

T

Y

Y

Y

F

P

-

E

-

D

S

L

T

G

F

G

K

R

N

L

M

Y

Y

L

F

A

S

G

G

D

D

G

G

A

A

V

R

R

R

N

D

A

-

K

E

T

D

G

G

N

Y

F

Y

T

W

I

I

T

T

G

G

R

R

I

V

D
|
D

D

D

V

V

L

L

N

N

V

V

S
|
S

G
|
G

H

H

R
|
R

M

L

G

G

T

T

M

A

E

E

I

I

E

E

S

S

A

A

L

L

V

V

A

A

N

H

P

P

L

K

V

I

A

A

E

E

A

A

V

V

G

G

R

I

P

P

D

H

D

A

L

I

T

K

G

G

E

Q

A

A

I

I

C

Y

A

A

F

Y

V

V

V

T

L

L

K

N

-

H

G

G

S

E

R

E

P

P

S

S

G

P

E

E

D

-

A

-

K

-

R

-

V

L

I

Y

K

A

E

E

L

V

Q

R

D

N

W

W

V

V

G
x
R

K

K

E

E

I

I

G

G

P

P

I

L

A

A

K

T

P

P

K

D

D

V

I

L

R

H

F

W

G

T

E

D

N

S

L

L

P

P

K

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

L

I

L

L

R

R

S

K

L

I

A

A

K

A

G

G

E

D

E

T

V

S

T

N

Q

L

-

G

D

D

V

T

S

S

T

T

L

L

E

A

N

D

P

P

A

G

I

V

L

V

E

E

Q

K

L

L

-

L

-

E

K

K

Q

Q

A

A

G

I

A

A

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 (= T318) binding
N335 (≠ T342) binding
A357 (= A364) 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 (= D527) 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 (= S533) binding
G524 (= G534) 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 (= R536) 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 (≠ G597) binding ; 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 (= K622) modified: N6-acetyllysine; by Pat; mutation to A: No acetyl-coenzyme A synthetase activity.

5jrhA Crystal structure of salmonella enterica acetyl-coa synthetase (acs) in complex with camp and coenzyme a (see paper)
52% identity, 95% coverage: 32:656/658 of query aligns to 20:640/640 of 5jrhA

query
sites
5jrhA

Y

Y

E

E

A

T

L

K

C

Y

K

K

E

Q

A

S

E

I

T

N

D

D

Y

P

T

D

G

T

Y

F

W

W

G

G

R

E

L

Q

A

G

K

K

E

I

H

-

V

L

V

D

W

W

K

I

Q

T

P

P

F

Y

T

Q

S

K

V

V

L

K

D

N

E

T

S

S

N

F

A

A

P

P

-

G

-

N

-

V

F

S

Y

I

K

K

W

W

F

Y

A

E

D

D

G

G

K

T

L

L

N

N

V

L

S

A

Y

A

N

N

C

C

L

L

D

D

K

R

N

H

V

L

E

Q

A

E

G

N

L

-

G

G

D

D

K

R

V

T

A

A

I

I

F
x
W

E

E

A

G

D

D

G

D

G

T

A

S

V

Q

S

S

K
|
K

-

H

V

I

T

S

Y

Y

K

R

E

E

L

L

L

H

S

R

R

D

V

V

A

C

K

R

F

F

A

A

N

N

A

T

L

L

K

L

A

D

K

L

G

G

I

I

K

K

G

G

D

D

R

V

V

V

I

A

I

I

Y

Y

L

M

P

P

M

M

S
x
V

I

P

E
|
E

G

A

I

A

V

V

A

A

M

M

Q

L

A

A

C

C

A

A

R

R

I

I

G

G

A

A

I

V

H

H

S

S

V

V

V

I

F
|
F

G
|
G

F

F

S

S

A

P

K

E

S

A

L

V

E

A

E
x
G

R
|
R

I

I

L

I

D

D

A

S

G

S

A

S

V

R

A

L

V

V

I

I

T

T

A

A

D

D

E

E

Q

G

T

V

R
|
R

G

A

G

G

K

R

N

S

I
|
I

P

P

L

L

K

K

P

K

A

N

V

V

D

D

E

D

A

A

L

L

T

K

L

N

V

P

G

N

A

V

N

T

S

S

P

-

V

V

K

E

T

H

V

V

I

I

V

V

A
x
L

K

K

R
|
R

T

T

G

G

G

S

A

D

C

I

N

D

M

W

V

Q

A

E

G

G

R

R

D

D

V

L

W

W

T

R

D

D

A

L

E

I

A

E

G

K

Q

A

S

S

D

P

I

E

C

H

E

Q

P

P

E

E

W

A

V

M

E

N

A

A

E

E

H

D

P

P

L

L

F

F

L

I

L

L

Y
|
Y

T
|
T

S

S

G

G

S

S

T

T

G

G

K
|
K

P
|
P

K

K

G

G

V

V

Q

L

H

H

S

T

G

G

Y

Y

L

L

L

V

H

Y

A

A

L

T

T

T

M

F

K

K

W

Y

T

V

F

F

D

D

I

Y

K

H

P

P

D

G

D

D

V

I

F

Y

W

W

C

C

T

T

A

A

D
|
D

I

V

G

G

W

W

V

V

T

T

G

G

H

H

T

S

Y

Y

I

L

T

L

Y

Y

G

G

P

P

L

L

A

A

C

C

G

G

A

A

T

T

E

T

I

L

V

M

F

F

E

E

G

G

V

V

P

P

T

N

F

W

P

P

D

T

A

P

G

A

R

R

F

M

W

C

K

Q

M

V

I

V

Q

D

D

K

H

H

K

Q

V

V

S

N

I

I

F

L

Y

Y

T

T

A

A

P

P

T

T

A

A

I

I

R

R

S

A

L

L

I

M

K

A

A

E

G

G

A

D

D

K

L

A

P

I

K

E

K

G

Y

T

D

D

L

R

T

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

M

E

W

W

Y

Y

Y

W

N

K

E

K

I

I

G

G

G

K

G

E

R

K

C

C

P

P

I

V

V

V

D
|
D

T
|
T

F
x
W

W
|
W

Q
|
Q

T
|
T

E
|
E

T

T

G

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

V

A

T

I

P

E

L

L

V

K

P

A

G

G

S

S

C

A

T

T

L

R

P

P

F

F

P

F

G

G

I

V

Q

Q

A

P

A

A

I

L

V

V

D

D

E

N

T

E

G

G

H

H

E

P

L

Q

E

E

W

G

G

A

K

T

G

E

G

G

F

N

L

L

V

V

V

I

K

T

K

D

P

S

W

W

P

P

S

G

M

Q

I

A

R

R

T

T

I

L

W

F

G

G

D

D

P

H

E

E

R

R

F

F

K

E

K

Q

S

T

Y

Y

Y

F

P

-

E

-

D

S

L

T

G

F

G

K

R

N

L

M

Y

Y

L

F

A

S

G

G

D
|
D

G

G

A

A

V

R

R

R

N

D

A

-

K

E

T

D

G

G

N

Y

F

Y

T

W

I
|
I

T

T

G

G

R
|
R

I

V

D

D

V

V

L

L

N
|
N

V

V

S
|
S

G

G

H
|
H

R
|
R

M

L

G

G

T

T

M

A

E

E

I

I

E

E

S

S

A

A

L

L

V
|
V

A

A

N
x
H

P

P

L

K

V
x
I

A

A

E

E

A

A

V

V

G

G

R

I

P

P

D

H

D

A

L

I

T

K

G

G

E

Q

A

A

I

I

C

Y

A

A

F

Y

V

V

V

T

L

L

K

N

-

H

G

G

S

E

R

E

P

P

S

S

G

P

E

E

D

-

A

-

K

-

R

-

V

L

I

Y

K

A

E

E

L

V

Q

R

D

N

W

W

V

V

G
x
R

K

K

E

E

I

I

G

G

P
|
P

I

L

A

A

K

T

P

P

K

D

D

V

I

L

R

H

F

W

G

T

E

D

N

S

L

L

P

P

K

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

L

I

L

L

R

R

S

K

L

I

A

A

K

A

G

G

E

D

E

-

V

-

T

L

Q

G

D

D

V

T

S

S

T

T

L

L

E

A

N

D

P

P

A

G

I

V

L

V

E

E

Q

K

L

L

-

L

-

E

K

K

Q

Q

A

A

active site: T260 (= T271), T412 (= T423), E413 (= E424), N517 (= N531), R522 (= R536), K605 (= K622)
binding (r,r)-2,3-butanediol: W93 (≠ F104), K102 (= K113), V138 (≠ S148), E140 (= E150), G169 (≠ E179), R170 (= R180), L216 (≠ A227), R218 (= R229), Y259 (= Y270), K266 (= K277), P267 (= P278)
binding adenosine-3',5'-cyclic-monophosphate: G383 (= G394), E384 (= E395), P385 (= P396), D407 (= D418), T408 (= T419), W409 (≠ F420), W410 (= W421), Q411 (= Q422), T412 (= T423), D496 (= D509), I508 (= I522), R511 (= R525), N517 (= N531), R522 (= R536)
binding coenzyme a: F159 (= F169), G160 (= G170), G161 (= G171), R187 (= R197), I192 (= I202), D302 (= D313), S519 (= S533), H521 (= H535), R580 (≠ G597), P585 (= P602)
binding magnesium ion: V533 (= V547), H535 (≠ N549), I538 (≠ V552)

2p2fA Acetyl-coa synthetase, wild-type with acetate, amp, and coa bound (see paper)
52% identity, 95% coverage: 32:656/658 of query aligns to 19:637/637 of 2p2fA

query
sites
2p2fA

Y

Y

E

E

A

T

L

K

C

Y

K

K

E

Q

A

S

E

I

T

N

D

D

Y

P

T

D

G

T

Y

F

W

W

G

G

R

E

L

Q

A

G

K

K

E

I

H

-

V

L

V

D

W

W

K

I

Q

T

P

P

F

Y

T

Q

S

K

V

V

L

K

D

N

E

T

S

S

N

F

A

A

P

P

-

G

-

N

-

V

F

S

Y

I

K

K

W

W

F

Y

A

E

D

D

G

G

K

T

L

L

N

N

V

L

S

A

Y

A

N

N

C

C

L

L

D

D

K

R

N

H

V

L

E

Q

A

E

G

N

L

-

G

G

D

D

K

R

V

T

A

A

I

I

F

W

E

E

A

G

D

D

G

D

G

T

A

S

V

Q

S

S

K

K

-

H

V

I

T

S

Y

Y

K

R

E

E

L

L

L

H

S

R

R

D

V

V

A

C

K

R

F

F

A

A

N

N

A

T

L

L

K

L

A

D

K

L

G

G

I

I

K

K

G

G

D

D

R

V

V

V

I

A

I

I

Y

Y

L

M

P

P

M

M

S

V

I

P

E

E

G

A

I

A

V

V

A

A

M

M

Q

L

A

A

C

C

A

A

R

R

I

I

G

G

A

A

I

V

H

H

S

S

V

V

V

I

F
|
F

G
|
G

F

F

S

S

A

P

K

E

S

A

L

V

E

A

E

G

R

R

I

I

L

I

D

D

A

S

G

S

A

S

V

R

A

L

V

V

I

I

T

T

A

A

D

D

E

E

Q

G

T

V

R
|
R

G

A

G

G

K

R

N

S

I
|
I

P

P

L

L

K

K

P

K

A

N

V

V

D

D

E

D

A

A

L

L

T

K

L

N

V

P

G

N

A

V

N

T

S

S

P

-

V

V

K

E

T

H

V

V

I

I

V

V

A

L

K

K

R

R

T

T

G

G

G

S

A

D

C

I

N

D

M

W

V

Q

A

E

G

G

R

R

D

D

V

L

W

W

T

R

D

D

A

L

E

I

A

E

G

K

Q

A

S

S

D

P

I

E

C

H

E

Q

P

P

E

E

W

A

V

M

E

N

A

A

E

E

H

D

P

P

L

L

F

F

L

I

L

L

Y

Y

T
|
T

S

S

G

G

S

S

T

T

G

G

K

K

P

P

K

K

G

G

V

V

Q

L

H

H

S

T

G

G

Y

Y

L

L

L

V

H

Y

A

A

L

T

T

T

M

F

K

K

W

Y

T

V

F

F

D

D

I

Y

K

H

P

P

D

G

D

D

V

I

F

Y

W

W

C

C

T

T

A
|
A

D

D

I

V

G

G

W
|
W

V

V

T
|
T

G

G

H

H

T

S

Y

Y

I

L

T

L

Y

Y

G

G

P

P

L

L

A

A

C

C

G

G

A

A

T

T

E

T

I

L

V

M

F

F

E

E

G

G

V
|
V

P
|
P

T

N

F

W

P

P

D

T

A

P

G

A

R

R

F

M

W

C

K

Q

M

V

I

V

Q

D

D

K

H

H

K

Q

V

V

S

N

I

I

F

L

Y

Y

T

T

A
|
A

P

P

T
|
T

A
|
A

I

I

R

R

S

A

L

L

I

M

K

A

A

E

G

G

A

D

D

K

L

A

P

I

K

E

K

G

Y

T

D

D

L

R

T

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

M

E

W

W

Y

Y

Y

W

N

K

E

K

I

I

G

G

G

K

G

E

R

K

C

C

P

P

I

V

V

V

D
|
D

T
|
T

F
x
W

W
|
W

Q
|
Q

T
|
T

E
|
E

T

T

G

G

H

F

M

M

I

I

T

T

P

P

L

L

P

P

G

G

V

A

T

I

P

E

L

L

V

K

P

A

G

G

S

S

C

A

T

T

L

R

P

P

F

F

P

F

G

G

I

V

Q

Q

A

P

A

A

I

L

V

V

D

D

E

N

T

E

G

G

H

H

E

P

L

Q

E

E

W

G

G

A

K

T

G

E

G

G

F

N

L

L

V

V

V

I

K

T

K

D

P

S

W

W

P

P

S

G

M

Q

I

A

R

R

T

T

I

L

W

F

G

G

D

D

P

H

E

E

R

R

F

F

K

E

K

Q

S

T

Y

Y

Y

F

P

-

E

-

D

S

L

T

G

F

G

K

R

N

L

M

Y

Y

L

F

A

S

G

G

D
|
D

G

G

A

A

V

R

R

R

N

D

A

-

K

E

T

D

G

G

N

Y

F

Y

T

W

I
|
I

T

T

G

G

R
|
R

I

V

D

D

V

V

L

L

N
|
N

V

V

S
|
S

G
|
G

H

H

R
|
R

M

L

G

G

T

T

M

A

E

E

I

I

E

E

S

S

A

A

L

L

V

V

A

A

N

H

P

P

L

K

V

I

A

A

E

E

A

A

V

V

G

G

R

I

P

P

D

H

D

A

L

I

T

K

G

G

E

Q

A

A

I

I

C

Y

A

A

F

Y

V

V

V

T

L

L

K

N

-

H

G

G

S

E

R

E

P

P

S

S

G

P

E

E

D

-

A

-

K

-

R

-

V

L

I

Y

K

A

E

E

L

V

Q

R

D

N

W

W

V

V

G
x
R

K

K

E

E

I

I

G

G

P
|
P

I

L

A

A

K

T

P

P

K

D

D

V

I

L

R

H

F

W

G

T

E

D

N

S

L

L

P

P

K

K

T

T

R

R

S

S

G

G

K
|
K

I

I

M

M

R

R

L

I

L

L

R

R

S

K

L

I

A

A

K

A

G

G

E

D

E

T

V

-

T

-

Q

-

D

-

V

S

S

S

T

T

L

L

E

A

N

D

P

P

A

G

I

V

L

V

E

E

Q

K

L

L

-

L

-

E

K

K

Q

Q

A

A

active site: T259 (= T271), T411 (= T423), E412 (= E424), N516 (= N531), R521 (= R536), K604 (= K622)
binding adenosine monophosphate: G382 (= G394), E383 (= E395), P384 (= P396), D406 (= D418), T407 (= T419), W408 (≠ F420), W409 (= W421), Q410 (= Q422), T411 (= T423), D495 (= D509), I507 (= I522), R510 (= R525), N516 (= N531), R521 (= R536)
binding coenzyme a: F158 (= F169), G159 (= G170), G160 (= G171), R186 (= R197), I191 (= I202), A300 (= A312), W304 (= W316), T306 (= T318), V328 (= V340), P329 (= P341), A352 (= A364), T354 (= T366), A355 (= A367), S518 (= S533), G519 (= G534), R579 (≠ G597), P584 (= P602)

1pg3A Acetyl coa synthetase, acetylated on lys609 (see paper)
52% identity, 95% coverage: 32:656/658 of query aligns to 20:634/634 of 1pg3A

query
sites
1pg3A

Y

Y

E

E

A

T

L

K

C

Y

K

K

E

Q

A

S

E

I

T

N

D

D

Y

P

T

D

G

T

Y

F

W

W

G

G

R

E

L

Q

A

G

K

K

E

I

H

-

V

L

V

D

W

W

K

I

Q

T

P

P

F

Y

T

Q

S

K

V

V

L

K

D

N

E

T

S

S

N

F

A

A

P

P

-

G

-

N

-

V

F

S

Y

I

K

K

W

W

F

Y

A

E

D

D

G

G

K

T

L

L

N

N

V

L

S

A

Y

A

N

N

C

C

L

L

D

D

K

R

N

H

V

L

E

Q

A

E

G

N

L

-

G

G

D

D

K

R

V

T

A

A

I

I

F

W

E

E

A

G

D

D

G

D