SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010171340.1 NCBI__GCF_000171615.1:WP_010171340.1 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)

Q5SKN9 Long-chain-fatty-acid--CoA ligase; Long-chain fatty acyl-CoA synthetase; LC-FACS; EC 6.2.1.3 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
51% identity, 99% coverage: 1:533/536 of query aligns to 13:538/541 of Q5SKN9

query
sites
Q5SKN9

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T184 (= T179) binding Mg(2+)
G302 (= G297) binding tetradecanoyl-AMP
Q322 (≠ H318) binding tetradecanoyl-AMP
G323 (≠ A319) binding tetradecanoyl-AMP
T327 (= T323) binding tetradecanoyl-AMP
E328 (= E324) binding Mg(2+)
D418 (= D411) binding tetradecanoyl-AMP
K435 (= K428) binding tetradecanoyl-AMP
K439 (= K432) binding tetradecanoyl-AMP

1v26B Crystal structure of tt0168 from thermus thermophilus hb8 (see paper)
48% identity, 99% coverage: 1:533/536 of query aligns to 6:507/510 of 1v26B

query
sites
1v26B

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active site: T177 (= T179), H197 (= H199), H223 (= H225), T320 (= T323), E321 (= E324), K432 (= K432), W437 (= W437)
binding adenosine monophosphate: G295 (= G297), S296 (= S298), A297 (= A299), G316 (≠ A319), Y317 (= Y320), G318 (= G321), L319 (≠ M322), T320 (= T323), D411 (= D411), K428 (= K428), K432 (= K432), W437 (= W437)
binding magnesium ion: T177 (= T179), E321 (= E324)

P0DX84 3-methylmercaptopropionyl-CoA ligase; MMPA-CoA ligase; EC 6.2.1.44 from Ruegeria lacuscaerulensis (strain DSM 11314 / KCTC 2953 / ITI-1157) (Silicibacter lacuscaerulensis) (see paper)
44% identity, 99% coverage: 1:530/536 of query aligns to 5:534/539 of P0DX84

query
sites
P0DX84

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V

M

L

Y

Y

S

S

H

H

R

R

G

S

I

T

V

V

L

L

H

H

S

S

Y

F

A

A

L

S

G

N

L

T

A

R

D

D

T

V

T

I

A

G

L

Y

S

S

E

A

K

M

D

D

V

V

A

V

M

M

P

P

V

V

P

P

M

M

F

F

H
|
H

V

V

N

N

A

A

W
|
W

G

G

L

S

P

P

F

Y

A

G

A

C

T

A

W

M

F

S

G

G

T

A

T

Q

Q

M

V

V

L

L

P

P

G

G

P

P

Y

D

F

L

T

H

P

G

E

E

I

A

L

L

A

V

T

N

L

L

I

I

E

D

E

T

H

Y

R

G

V

V

T

T

I

L

T

A

A

M

G

G

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V

P

P

T

T

I

I

W

W

N

Q

G

G

L

L

Q

A

E

H

I

A

E

A

R

K

K

C

D

G

Y

T

N

K

L

L

S

E

S

S

L

L

R

E

G

R

V

T

L

V

C

I

G
|
G

S

A

A

A

A

C

P

P

K

P

G

S

M

M

I

I

R

A

A

T

Y

F

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R

E

E

K

K

H

Y

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G

I

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P

D

F

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M

V

H

H

A

A

Y
x
W

G

G

M

M

T

S

E

E

T

M

S

S

P
|
P

L

L

A

G

I

T

I

A

A

N

S

I

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K

L

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A

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K

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I

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V

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D

K

D

D

D

G

G

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N

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D

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L

A

P

W

H

D

D

G

G

K

V

E

T

M

Q

G

G

E

D

L

L

L

M

L

V

R

R

G

G

P

H

W

W

I

V

A

L

S

D

Q

S

Y

Y

-

F

-

Q

E

L

N

K

D

D

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Q

R

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T

L

L

L

G

-

S

-

F

-

K

Q

D

D

G

G

W

W

L

F

Y

A

T

T

G

G

D

D

V

V

V

A

T

T

I

L

D

D

K

P

E

D

G

G

Y

Y

I

M

Q

T

V

I

V

R

D

D

R
|
R

T

S

K
|
K

D
|
D

L

I

I

I

K
|
K

S

S

G
|
G

E
|
E

W
|
W

I

I

S

S

V

V

D

E

I

L

E

E

N

N

A

I

I

A

M

V

A

A

H

H

E

P

G

K

V

L

F

A

E

T

A

A

V

V

V

I

A

G

I

V

P

P

H

H

E

P

Q

K

W

W

H

D

E
|
E

R

R

P

P

V

L

A

L

C

V

V

A

V

V

L

K

K

A

E

E

G

G

Y

-

H

-

E

E

K

D

V

P

S

S

K

E

K

A

D

E

L

L

Y

L

E

E

F

F

L

F

T

D

P

G

Q

K

F

I

A

A

K

K

W

W

W

Q

L

V

P

P

D

D

E

K

I

V

V

V

F

F

L

V

N

D

E

A

I

L

P

P

K

L

T

N

S

A

V

T

G

G

K
|
K

F

V

L

L

K
|
K

R

R

T

K

L

L

R

R

D

D

E

E

I

F

Q

K

H231 (= H225) mutation to A: Retains 74% of wild-type activity.
W235 (= W229) mutation to A: Almost completely abolishes the activity.
G302 (= G296) mutation to P: Almost completely abolishes the activity.
G303 (= G297) mutation to P: Almost completely abolishes the activity.
W326 (≠ Y320) mutation to A: Retains 7.7% of wild-type activity.
P333 (= P327) mutation to A: Retains 69% of wild-type activity.
R432 (= R426) mutation to A: Retains 4.3% of wild-type activity.
K434 (= K428) mutation to A: Retains 36% of wild-type activity.
D435 (= D429) mutation to A: Retains 76% of wild-type activity.
K438 (= K432) mutation to A: Retains 5.6% of wild-type activity.
G440 (= G434) mutation to P: Retains 3.6% of wild-type activity.
G441 (= G435) mutation to P: Retains 2.7% of wild-type activity.
E442 (= E436) mutation to A: Retains 27% of wild-type activity.
W443 (= W437) mutation to A: Retains 60% of wild-type activity.
E474 (= E468) mutation to A: Retains 33% of wild-type activity.
K523 (= K519) Plays an important role in catalysis; mutation to A: Retains 1.6% of wild-type activity.; mutation to E: Retains 1.4% of wild-type activity.; mutation to R: Retains 57% of wild-type activity.
K526 (= K522) mutation to A: Retains 48% of wild-type activity.

1v25A Crystal structure of tt0168 from thermus thermophilus hb8 (see paper)
47% identity, 99% coverage: 1:533/536 of query aligns to 6:488/491 of 1v25A

query
sites
1v25A

M

M

N

D

T

E

P

E

L

L

L

N

L

L

T

W

D

D

L

F

I

L

E

E

R

R

A

A

E

A

V

A

Y

L

F

F

P

G

T

R

K

K

K

E

V

V

I

V

S

S

R

R

T

L

S

H

S

T

G

G

-

E

V

V

H

H

T

R

F

T

T

T

Y

Y

K

A

E

E

I

V

V

Y

Q

Q

R

R

T

A

R

R

L

L

A

M

S

G

A

G

L

L

S

R

C

A

L

L

G

G

V

V

E

G

E

V

G

G

T

D

K

R

V

V

G

A

T

T

L

L

A

G

W

F

N

N

H

H

H

F

R

R

H

H

L

L

E

E

A

A

Y

Y

F

F

A

A

I

V

P

P

C

G

I

M

G

G

A

A

V

V

L

L

H

H

T

T

I

A

N

N

F

P

R

R

L

L

Y

S

P

P

Q

K

H

E

I

I

A

A

Y

Y

I

I

V

L

N

N

H

H

A

A

R

E

D

D

E

K

V

V

L

L

I

F

D

D

K

P

D

N

L

L

P

P

L

L

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V

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A

A

I

I

K

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D

G

Q

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V

K

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A

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F

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V

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M

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D

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E

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K

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A

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P

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G

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Y

L

L

K

-

P

-

S

-

Y

-

S

A

Y

Y

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E

K

E

F

A

I

L

-

G

E

E

Q

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A

D

D

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P

A

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F

-

Q

-

F

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-

K

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R

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N

R

A

A

P

A

A

C

V

G

M

M

C

A

Y

Y

T
|
T

S

T

A

G

T

T

G

G

N

L

P

P

K

K

G

G

V

V

M

V

Y

Y

S

S

H

H

R

R

G

A

I

L

V

V

L

L

H
|
H

S

S

Y

L

A

A

L

A

G

S

L

L

A

V

D

D

T

G

T

T

A

A

L

L

S

S

E

E

K

K

D

D

V

V

A

V

M

L

P

P

V

V

P

P

M

M

F

F

H
|
H

V
|
V

N

N

A

A

W

W

G

C

L

L

P

P

F

Y

A

A

T

T

W

L

F

V

G

G

T

A

T

K

Q

Q

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V

L

L

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P

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L

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A

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W

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L

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R

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R

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L

L

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C

V

G

G

G
|
G

S
|
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A
|
A

A

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P

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|
Y

G
|
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x
L

T
|
T

E
|
E

T

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P

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A

V

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V

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K

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W

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N

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L

K

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P

D

D

G

G

W

F

L

F

Y

R

T

T

G

G

D
|
D

V

I

V

A

T

V

I

W

D

D

K

E

E

E

G

G

Y

Y

I

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Q

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I

V

K

D

D

R

R

T

L

K

K

D

D

L

L

I

I

K
|
K

S

S

G

G

E

E

W
|
W

I

I

S

S

V

V

D

D

I

L

E

E

N

N

A

-

I

-

M

-

A

-

H

-

E

-

G

-

V

-

F

-

E

-

A

A

V

V

A

A

I

I

P

P

H

H

E

P

Q

K

W

W

H

Q

E

E

R

R

P

P

V

L

A

A

C

V

V

V

V

-

L

-

K

-

E

-

G

-

Y

-

H

-

E

-

K

-

V

-

S

-

K

-

D

-

L

-

Y

-

E

-

F

-

L

-

T

-

P

-

Q

G

F

F

A

A

K

K

W

W

W

Q

L

L

P

P

D

D

E

-

I

-

V

-

F

-

L

-

N

-

E

-

I

-

P

-

K

-

T

-

S

-

V

-

G

-

K

A

F

Y

L

L

K

K

R

R

T

A

L

L

R

R

D

E

E

Q

I

Y

Q

K

A

N

L

Y

F

Y

active site: T177 (= T179), H197 (= H199), H223 (= H225), T320 (= T323), E321 (= E324), K432 (= K432), W437 (= W437)
binding phosphoaminophosphonic acid-adenylate ester: H223 (= H225), V224 (= V226), G295 (= G297), S296 (= S298), A297 (= A299), Y317 (= Y320), G318 (= G321), L319 (≠ M322), T320 (= T323), D411 (= D411), I423 (≠ V423), K432 (= K432), W437 (= W437)
binding magnesium ion: T177 (= T179), E321 (= E324)

6ijbB Structure of 3-methylmercaptopropionate coa ligase mutant k523a in complex with amp and mmpa (see paper)
44% identity, 99% coverage: 1:530/536 of query aligns to 5:534/538 of 6ijbB

query
sites
6ijbB

M

M

N

T

T

Q

P

P

L

L

L

I

T

S

D

S

L

L

I

I

E

D

R

H

A

A

E

A

V

R

Y

Y

F

H

P

G

T

Q

K

T

K

E

V

I

I

V

S

S

R

V

T

E

S

T

S

D

G

G

V

T

H

V

T

T

F

R

T

T

-

N

Y

W

K

G

E

E

I

I

V

A

Q

A

R

N

T

A

R

R

L

M

A

G

S

S

A

A

L

L

S

T

C

K

L

L

G

G

V

L

E

Q

E

P

G

Q

T

D

K

R

V

I

G

G

T

T

L

L

A

A

W

W

N

N

H

N

H

R

R

R

H

H

L

L

E

E

A

I

Y

Y

F

Y

A

A

I

A

P

S

C

G

I

A

G

G

A

F

V

V

L

C

H

H

T

T

I

I

N

N

F

P

R

R

L

L

Y

F

P

P

Q

E

H

Q

I

L

A

V

Y

Y

I

I

V

I

N

N

H

H

A

A

R

Q

D

D

E

R

V

V

L

L

L

F

I

F

D

D

K

A

D

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L

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L

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P

L

L

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V

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A

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K

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D

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Q

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K

A

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F

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L

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N

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Q

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P

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S

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Y

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D

K

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L

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Q

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D

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T

A

D

F

F

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F

W

T

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K

V

E

-

L

F

D

D

E

E

N

N

A

T

P

A

A

S

V

S

M

L

C

C

Y

Y

T
|
T

S

S

A

G

T

T

G

G

N

H

P

P

K

K

G

G

V

V

M

L

Y

Y

S

S

H

H

R

R

G

S

I

T

V

V

L

L

H
|
H

S

S

Y

F

A

A

L

S

G

N

L

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A

R

D

D

T

V

T

I

A

G

L

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S

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A

K

M

D

D

V

V

A

V

M

M

P

P

V

V

P

P

M

M

F

F

H
|
H

V

V

N

N

A

A

W
|
W

G

G

L

S

P

P

F

Y

A

G

A

C

T

A

W

M

F

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G

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S

S

L

L

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G

R

V

T

L

V

C

I

G

G

G
|
G

S
x
A

A
|
A

A

C

P

P

K

P

G

S

M

M

I

I

R

A

A

T

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F

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R

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E

K

K

H

Y

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G

I

V

P

D

F

T

M

V

H
|
H

A
|
A

Y
x
W

G
|
G

M
|
M

T
x
S

E
|
E

T

M

S

S

P

P

L

L

A

G

I

T

I

A

A

N

S

I

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P

K

L

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A

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K

L

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G

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K

L

L

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P

Q

I

E

E

K

Q

I

H

S

K

I

L

K

R

A

E

K

N

Q
|
Q

G

G

I

R

L

P

V

P

P

F

G

G

L

V

Q

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M

L

K

K

I

I

V

V

G

D

K

D

D

D

G

G

-

N

E

D

V

L

A

P

W

H

D

D

G

G

K

V

E

T

M

Q

G

G

E

D

L

L

L

M

L

V

R

R

G

G

P

H

W

W

I

V

A

L

S

D

Q

S

Y

Y

-

F

-

Q

E

L

N

K

D

D

E

Q

R

E

T

L

L

L

G

-

S

-

F

-

K

Q

D

D

G

G

W

W

L

F

Y

A

T

T

G

G

D
|
D

V

V

V

A

T

T

I

L

D

D

K

P

E

D

G

G

Y

Y

I

M

Q

T

V

I

V

R

D

D

R

R

T

S

K

K

D

D

L

I

I

I

K
|
K

S

S

G

G

E

E

W
|
W

I

I

S

S

V

V

D

E

I

L

E

E

N

N

A

I

I

A

M

V

A

A

H

H

E

P

G

K

V

L

F

A

E

T

A

A

V

V

V

I

A

G

I

V

P

P

H

H

E

P

Q

K

W

W

H

D

E

E

R

R

P

P

V

L

A

L

C

V

V

A

V

V

L

K

K

A

E

E

G

G

Y

-

H

-

E

E

K

D

V

P

S

S

K

E

K

A

D

E

L

L

Y

L

E

E

F

F

L

F

T

D

P

G

Q

K

F

I

A

A

K

K

W

W

W

Q

L

V

P

P

D

D

E

K

I

V

V

V

F

F

L

V

N

D

E

A

I

L

P

P

K

L

T

N

S

A

V

T

G

G

K
x
A

F

V

L

L

K

K

R

R

T

K

L

L

R

R

D

D

E

E

I

F

Q

K

active site: T185 (= T179), H205 (= H199), H231 (= H225), S329 (≠ T323), E330 (= E324), K438 (= K432), W443 (= W437), A523 (≠ K519)
binding 3-(methylsulfanyl)propanoic acid: W235 (= W229), G303 (= G297), A325 (= A319), W326 (≠ Y320), G327 (= G321), M328 (= M322)
binding adenosine monophosphate: G303 (= G297), A304 (≠ S298), A305 (= A299), H324 (= H318), W326 (≠ Y320), G327 (= G321), M328 (= M322), S329 (≠ T323), Q359 (= Q353), D417 (= D411)

6ihkB Structure of mmpa coa ligase in complex with adp (see paper)
44% identity, 99% coverage: 1:530/536 of query aligns to 5:531/533 of 6ihkB

query
sites
6ihkB

M

M

N

T

T

Q

P

P

L

L

L

I

T

S

D

S

L

L

I

I

E

D

R

H

A

A

E

A

V

R

Y

Y

F

H

P

G

T

Q

K

T

K

E

V

I

I

V

S

S

R

V

T

E

S

T

S

D

G

G

V

T

H

V

T

T

F

R

T

T

-

N

Y

W

K

G

E

E

I

I

V

A

Q

A

R

N

T

A

R

R

L

M

A

G

S

S

A

A

L

L

S

T

C

K

L

L

G

G

V

L

E

Q

E

P

G

Q

T

D

K

R

V

I

G

G

T

T

L

L

A

A

W

W

N

N

H

N

H

R

R

R

H

H

L

L

E

E

A

I

Y

Y

F

Y

A

A

I

A

P

S

C

G

I

A

G

G

A

F

V

V

L

C

H

H

T

T

I

I

N

N

F

P

R

R

L

L

Y

F

P

P

Q

E

H

Q

I

L

A

V

Y

Y

I

I

V

I

N

N

H

H

A

A

R

Q

D

D

E

R

V

V

L

L

L

F

I

F

D

D

K

A

D

T

L

F

L

L

P

P

L

L

V

V

E

A

A

A

I

I

K

R

D

D

Q

Q

I

L

P

T

H

E

V

V

K

K

A

H

F

F

I

V

I

L

L

M

S

G

-

P

-

R

E

N

E

E

E

D

V

A

E

L

T

Q

E

Q

L

I

K

P

P

G

S

L

Y

E

S

F

Y

Y

E

D

K

E

F

L

I

I

E

E

Q

T

R

G

D

D

P

T

A

D

F

F

Q

E

F

W

T

P

K

V

E

-

L

F

D

D

E

E

N

N

A

T

P

A

A

S

V

S

M

L

C

C

Y

Y

T
|
T

S

S

A

-

T

-

G

G

N

H

P

P

K

K

G

G

V

V

M

L

Y

Y

S

S

H

H

R

R

G

S

I

T

V

V

L

L

H
|
H

S

S

Y

F

A

A

L

S

G

N

L

T

A

R

D

D

T

V

T

I

A

G

L

Y

S

S

E

A

K

M

D

D

V

V

A

V

M

M

P

P

V

V

P

P

M

M

F

F

H
|
H

V

V

N

N

A

A

W

W

G

G

L

S

P

P

F

Y

A

G

A

C

T

A

W

M

F

S

G

G

T

A

T

Q

Q

M

V

V

L

L

P

P

G

G

P

P

Y

D

F

L

T

H

P

G

E

E

I

A

L

L

A

V

T

N

L

L

I

I

E

D

E

T

H

Y

R

G

V

V

T

T

I

L

T

A

A

M

G

G

V

V

P

P

T

T

I

I

W

W

N

Q

G

G

L

L

Q

A

E

H

I

A

E

A

R

K

K

C

D

G

Y

T

N

K

L

L

S

E

S

S

L

L

R

E

G

R

V

T

L

V

C

I

G

G

G
|
G

S
x
A

A
|
A

A

C

P

P

K

P

G

S

M

M

I

I

R

A

A

T

Y

F

E

R

E

E

K

K

H

Y

G

G

I

V

P

D

F

T

M

V

H
|
H

A
|
A

Y
x
W

G
|
G

M
|
M

T
x
S

E
|
E

T

M

S

S

P

P

L

L

A

G

I

T

I

A

A

N

S

I

E

P

K

L

S

A

S

K

L

H

G

R

E

K

L

L

N

P

Q

I

E

E

K

Q

I

H

S

K

I

L

K

R

A

E

K

N

Q
|
Q

G

G

I

R

L

P

V

P

P

F

G

G

L

V

Q

E

M

L

K

K

I

I

V

V

G

D

K

D

D

D

G

G

-

N

E

D

V

L

A

P

W

H

D

D

G

G

K

V

E

T

M

Q

G

G

E

D

L

L

L

M

L

V

R

R

G

G

P

H

W

W

I

V

A

L

S

D

Q

S

Y

Y

-

F

-

Q

E

L

N

K

D

D

E

Q

R

E

T

L

L

L

G

-

S

-

F

-

K

Q

D

D

G

G

W

W

L

F

Y

A

T

T

G

G

D
|
D

V

V

V

A

T

T

I

L

D

D

K

P

E

D

G

G

Y

Y

I

M

Q

T

V

I

V

R

D

D

R
|
R

T

S

K

K

D

D

L

I

I

I

K
|
K

S

S

G

G

E

E

W
|
W

I

I

S

S

V

V

D

E

I

L

E

E

N

N

A

I

I

A

M

V

A

A

H

H

E

P

G

K

V

L

F

A

E

T

A

A

V

V

V

I

A

G

I

V

P

P

H

H

E

P

Q

K

W

W

H

D

E

E

R

R

P

P

V

L

A

L

C

V

V

A

V

V

L

K

K

A

E

E

G

G

Y

-

H

-

E

E

K

D

V

P

S

S

K

E

K

A

D

E

L

L

Y

L

E

E

F

F

L

F

T

D

P

G

Q

K

F

I

A

A

K

K

W

W

W

Q

L

V

P

P

D

D

E

K

I

V

V

V

F

F

L

V

N

D

E

A

I

L

P

P

K

L

T

N

S

A

V

T

G

G

K
|
K

F

V

L

L

K

K

R

R

T

K

L

L

R

R

D

D

E

E

I

F

Q

K

active site: T185 (= T179), H202 (= H199), H228 (= H225), S326 (≠ T323), E327 (= E324), K435 (= K432), W440 (= W437), K520 (= K519)
binding adenosine-5'-diphosphate: H228 (= H225), G300 (= G297), A301 (≠ S298), A302 (= A299), H321 (= H318), A322 (= A319), W323 (≠ Y320), G324 (= G321), M325 (= M322), S326 (≠ T323), Q356 (= Q353), D414 (= D411), R429 (= R426), K520 (= K519)

8i8dA Acyl-acp synthetase structure bound to mc7-acp (see paper)
38% identity, 98% coverage: 3:526/536 of query aligns to 7:526/529 of 8i8dA

query
sites
8i8dA

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R
|
R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T

T

S

T

A

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

-

A

-

L

M

G

G

L

I

A

L

D

S

T

T

T

I

A

G

-

T

-

N

-

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P
|
P

M

M

F

F

H
|
H

V

V

N

H

A

A

W
|
W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I
|
I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G
|
G

S

A

A
|
A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A
x
G

Y
|
Y

G
|
G

M
|
M

T
x
S

E

E

T

T

S

G

P
|
P

L

I

A

L

I

S

I

I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D
|
D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R

R

T

V

K

K

D

D

L

M

I

I

K
|
K

S

I

G

S

G
|
G

E

E

W

W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

F

F

I

A

N

K

K

W

G

W

I

L

L

P

A

D

R

E

E

I

A

V

L

F

L

L

L

-

K

-

V

-

K

-

I

-

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding adenosine monophosphate: G292 (= G296), G293 (= G297), A295 (= A299), G314 (≠ A319), Y315 (= Y320), G316 (= G321), M317 (= M322), S318 (≠ T323), D408 (= D411), K429 (= K432)
binding 7-methoxy-7-oxidanylidene-heptanoic acid: H223 (= H225), W227 (= W229), G292 (= G296), G316 (= G321), P322 (= P327)
binding N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide: R93 (= R92), P220 (= P222), H223 (= H225), I269 (= I272), G432 (= G435)

8i8eA Acyl-acp synthetase structure bound to c18:1-acp (see paper)
38% identity, 98% coverage: 3:526/536 of query aligns to 7:526/530 of 8i8eA

query
sites
8i8eA

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R
|
R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T

T

S

T

A

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

-

A

-

L

M

G

G

L

I

A

L

D

S

T

T

T

I

A

G

-

T

-

N

-

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P
|
P

M

M

F

F

H
|
H

V

V

N

H

A

A

W

W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I

I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G
|
G

S
x
A

A
|
A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A
x
G

Y
|
Y

G

G

M
|
M

T
x
S

E

E

T

T

S

G

P

P

L

I

A

L

I

S

I

I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D
|
D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R
|
R

T

V

K

K

D

D

L

M

I

I

K

K

S

I

G

S

G

G

E

E

W

W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

F

F

I

A

N

K

K

W

G

W

I

L

L

P

A

D

R

E

E

I

A

V

L

F

L

L

L

-

K

-

V

-

K

-

I

-

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding adenosine monophosphate: G292 (= G296), G293 (= G297), A294 (≠ S298), A295 (= A299), G314 (≠ A319), Y315 (= Y320), M317 (= M322), S318 (≠ T323), D408 (= D411), R423 (= R426)
binding 4'-phosphopantetheine: R93 (= R92), P220 (= P222), H223 (= H225)

8i49A Acyl-acp synthetase structure bound to atp (see paper)
38% identity, 98% coverage: 3:526/536 of query aligns to 7:526/530 of 8i49A

query
sites
8i49A

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R

R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T

T

S

T

A
x
G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

-

A

-

L

M

G

G

L

I

A

L

D

S

T

T

T

I

A

G

-

T

-

N

-

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P

P

M

M

F

F

H

H

V

V

N

H

A

A

W

W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I

I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G

G

G
|
G

S
x
A

A
|
A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A

G

Y
|
Y

G
|
G

M
|
M

T
x
S

E

E

T

T

S

G

P

P

L

I

A

L

I

S

I

I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D
|
D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R
|
R

T

V

K

K

D

D

L

M

I

I

K

K

S

I

G

S

G

G

E

E

W

W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

F

F

I

A

N

K

K

W

G

W

I

L

L

P

A

D

R

E

E

I

A

V

L

F

L

L

L

-

K

-

V

-

K

-

I

-

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding adenosine-5'-triphosphate: G174 (≠ A181), G293 (= G297), A294 (≠ S298), A295 (= A299), Y315 (= Y320), G316 (= G321), M317 (= M322), S318 (≠ T323), D408 (= D411), R423 (= R426)

8i22A Acyl-acp synthetase structure bound to pimelic acid monoethyl ester
38% identity, 98% coverage: 3:526/536 of query aligns to 7:526/530 of 8i22A

query
sites
8i22A

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R

R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T

T

S

T

A

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

-

A

-

L

M

G

G

L

I

A

L

D

S

T

T

T

I

A

G

-

T

-

N

-

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P

P

M

M

F

F

H

H

V

V

N

H

A

A

W
|
W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I

I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G
|
G

G

G

S

A

A

A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A
x
G

Y
|
Y

G
|
G

M

M

T

S

E

E

T

T

S

G

P
|
P

L
x
I

A

L

I

S

I
|
I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D

D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R

R

T

V

K

K

D

D

L

M

I

I

K

K

S

I

G

S

G

G

E

E

W

W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

F

F

I

A

N

K

K

W

G

W

I

L

L

P

A

D

R

E

E

I

A

V

L

F

L

L

L

-

K

-

V

-

K

-

I

-

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding 7-ethoxy-7-oxidanylidene-heptanoic acid: W227 (= W229), G292 (= G296), G314 (≠ A319), Y315 (= Y320), G316 (= G321), P322 (= P327), I323 (≠ L328), I326 (= I331)

8i6mA Acyl-acp synthetase structure bound to amp-c18:1 (see paper)
38% identity, 98% coverage: 3:526/536 of query aligns to 5:524/528 of 8i6mA

query
sites
8i6mA

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R

R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T

T

S

T

A

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

M

A

G

-

I

L

L

G

S

L

T

A

I

D

G

T

T

T

N

A

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P

P

M

M

F

F

H

H

V

V

N

H

A

A

W

W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I

I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G

G

G
|
G

S

A

A
|
A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A
x
G

Y
|
Y

G
|
G

M
|
M

T
x
S

E
|
E

T

T

S

G

P

P

L

I

A

L

I

S

I

I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D
|
D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R
|
R

T

V

K

K

D

D

L

M

I

I

K

K

S

I

G

S

G

G

E

E

W

W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

F

F

I

A

N

K

K

W

G

W

I

L

L

P

A

D

R

E

E

I

A

V

L

F

L

L

L

-

K

-

V

-

K

-

I

-

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding adenosine monophosphate: G291 (= G297), A293 (= A299), G312 (≠ A319), Y313 (= Y320), G314 (= G321), M315 (= M322), S316 (≠ T323), D406 (= D411), R421 (= R426)
binding magnesium ion: M315 (= M322), S316 (≠ T323), E317 (= E324)

8i51A Acyl-acp synthetase structure bound to amp-mc7 (see paper)
38% identity, 98% coverage: 3:526/536 of query aligns to 5:524/528 of 8i51A

query
sites
8i51A

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R

R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T

T

S

T

A

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

M

A

G

-

I

L

L

G

S

L

T

A

I

D

G

T

T

T

N

A

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P

P

M

M

F

F

H

H

V

V

N

H

A

A

W
|
W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I

I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G
|
G

S

A

A
|
A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A
x
G

Y
|
Y

G
|
G

M
|
M

T
x
S

E

E

T

T

S

G

P
|
P

L
x
I

A

L

I

S

I

I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D
|
D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R
|
R

T

V

K

K

D

D

L

M

I

I

K

K

S

I

G

S

G

G

E

E

W

W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

F

F

I

A

N

K

K

W

G

W

I

L

L

P

A

D

R

E

E

I

A

V

L

F

L

L

L

-

K

-

V

-

K

-

I

-

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding adenosine monophosphate: G291 (= G297), A293 (= A299), Y313 (= Y320), M315 (= M322), S316 (≠ T323), D406 (= D411), R421 (= R426)
binding 7-methoxy-7-oxidanylidene-heptanoic acid: W225 (= W229), G290 (= G296), G312 (≠ A319), G314 (= G321), M315 (= M322), P320 (= P327), I321 (≠ L328)

8jylA Acyl-acp synthetase structure bound to c10-ams (see paper)
38% identity, 98% coverage: 3:526/536 of query aligns to 5:524/527 of 8jylA

query
sites
8jylA

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R

R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T

T

S

T

A

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

M

A

G

-

I

L

L

G

S

L

T

A

I

D

G

T

T

T

N

A

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P

P

M

M

F

F

H

H

V

V

N

H

A

A

W
|
W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I

I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G
|
G

S
x
A

A
|
A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A
x
G

Y
|
Y

G
|
G

M
|
M

T
x
S

E
|
E

T

T

S

G

P

P

L
x
I

A

L

I

S

I

I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D
|
D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R
|
R

T

V

K

K

D

D

L

M

I

I

K
|
K

S

I

G

S

G

G

E

E

W
|
W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

F

F

I

A

N

K

K

W

G

W

I

L

L

P

A

D

R

E

E

I

A

V

L

F

L

L

L

-

K

-

V

-

K

-

I

-

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding magnesium ion: S316 (≠ T323), E317 (= E324)
binding [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate: W225 (= W229), G290 (= G296), G291 (= G297), A292 (≠ S298), A293 (= A299), G312 (≠ A319), Y313 (= Y320), G314 (= G321), M315 (= M322), S316 (≠ T323), I321 (≠ L328), D406 (= D411), R421 (= R426), K427 (= K432), W432 (= W437)

8i3iA Acyl-acp synthetase structure bound to amp-pnp in the presence of mgcl2 (see paper)
38% identity, 98% coverage: 3:526/536 of query aligns to 7:518/522 of 8i3iA

query
sites
8i3iA

N

N

T

Y

P

Q

L

L

L

I

T

K

D

N

L

L

I

L

E

F

R

S

A

P

E

V

V

A

Y

F

F

N

P

P

T

E

K

Q

K

E

V

I

I

V

S

Y

R

A

T

N

S

H

S

R

G

-

V

-

H

-

T

R

F

H

T

S

Y

Y

K

K

E

T

I

F

V

H

Q

D

R

R

T

V

R

R

R

Q

L

F

A

A

S

N

A

A

L

L

S

T

C

K

L

M

G

G

V

V

E

K

G

G

T

D

K

T

V

V

G

A

T

V

L

M

A

D

W

Y

N

D

H

S

H

H

R

R

H

Y

L

L

E

E

A

C

Y

Y

F

F

A

A

I

I

P

P

C

M

I

I

G

G

A

A

V

K

L

L

H

H

T

M

I

I

N

N

F

V

R

R

L

L

Y

S

P

P

Q

E

H

Q

I

I

A

L

Y

Y

I

T

V

I

N

D

H

H

A

A

R

E

D

D

E

D

V

I

L

I

L

L

I

I

D

H

K

E

D

E

L

F

L

L

P

P

L

I

V

L

E

D

A

Q

I

I

K

K

D

G

Q

R

I

I

P

D

H

T

V

V

K

T

A

R

F

Y

I

V

L

L

S

R

E

D

E

E

V

-

E

E

T

C

E

E

L

-

K

-

P

-

S

-

Y

-

S

-

Y

Y

E

E

K

R

F

L

I

L

E

E

Q

Q

R

E

D

S

P

T

A

E

F

Y

Q

N

F

F

T

P

K

-

E

D

L

F

D

D

E

E

N

N

A

T

P

V

A

A

V

T

M

T

C

F

Y

Y

T
|
T

S

T

A
x
G

T
|
T

G

G

N

F

P

P

K
|
K

G

G

V

V

M

F

Y

F

S

T

H

H

R

R

G

Q

I

L

V

V

L

L

H

H

S

T

Y

-

A

-

L

M

G

G

L

I

A

L

D

S

T

T

T

I

A

G

-

T

-

N

-

A

-

S

-

Q

-

G

-

R

L

L

S

H

E

Q

K

G

D

D

V

I

A

Y

M

M

P

P

V

I

V

T

P

P

M

M

F

F

H

H

V

V

N

H

A

A

W

W

G

G

L

L

P

P

F

Y

A

M

A

A

T

T

W

M

F

L

G

G

T

V

T

K

Q

Q

V

V

L

Y

P

P

G

G

P

K

Y

Y

F

-

T

V

P

P

E

D

I

V

L

L

A

L

T

N

L

L

I

I

E

E

E

Q

H

E

R

K

V

V

T

T

I

F

T

S

A

H

G

C

V

V

P

P

T

T

I

I

W

L

N

H

G

L

L

L

Q

S

E

S

I

P

E

K

R

S

K

K

D

A

Y

M

N

D

L

F

S

S

S

G

L

W

R

K

G

-

V

V

L

V

C

I

G

G

G
|
G

S
x
A

A
|
A

A

L

P

P

K

K

G

A

M

L

I

C

R

K

A

S

Y

A

E

L

E

E

K

R

H

-

G

D

I

I

P

D

F

V

M

F

H

A

A

G

Y
|
Y

G

G

M
|
M

T
x
S

E

E

T

T

S

G

P

P

L

I

A

L

I

S

I

I

A

V

S

Q

E

L

K

T

S

P

S

E

L

Q

G

L

E

E

L

L

N

D

Q

V

E

D

E

Q

K

Q

I

A

S

E

I

Y

K

R

A

S

K

K

Q

T

G

G

I

K

L

K

V

V

P

A

G

L

L

V

Q

E

M

A

K

Y

I

I

V

V

G

D

K

E

D

D

-

M

G

N

E

K

V

L

A

P

W

H

D

D

G

G

K

E

E

T

M

A

G

G

E

E

L

I

L

V

R

R

G

A

P

P

W

W

I

L

A

T

S

P

Q

N

Y

Y

E

Y

N

K

D

D

E

N

R

K

T

N

L

S

G

K

S

A

F

L

-

W

K

R

D

G

G

G

W

Y

L

L

Y

H

T

T

G

G

D
|
D

V

V

V

A

T

H

I

I

D

D

K

D

E

E

G

G

Y

F

I

I

Q

K

V

I

V

T

D

D

R
|
R

T

V

K

K

D

D

L

M

I

I

K

K

S

I

G

S

G

G

E

E

W

W

I

V

S

S

V

L

D

E

I

L

E

E

N

D

A

I

I

L

M

H

A

Q

H

H

E

Q

G

S

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

M

P

P

H

H

E

N

Q

K

W

W

H

G

E

E

R

V

P

P

V

L

A

A

C

L

V

V

V

T

L

L

K

K

E

E

G

D

Y

-

H

-

E

A

K

Q

V

V

S

T

K

E

K

K

D

E

L

L

Y

L

E

G

F

F

L

A

T

K

P

D

Q

R

F

E

A

A

K

-

W

-

L

L

P

L

D

L

E

K

I

V

V

K

F

I

L

V

N

D

E

E

I

I

P

A

K

K

T

T

S

S

V

V

G

G

K

K

F

V

L

D

K

K

R

K

T

E

L

L

R

R

binding phosphoaminophosphonic acid-adenylate ester: T172 (= T179), G174 (≠ A181), T175 (= T182), T176 (= T183), K180 (= K187), G293 (= G297), A294 (≠ S298), A295 (= A299), Y315 (= Y320), M317 (= M322), S318 (≠ T323), D408 (= D411), R423 (= R426)

8wevA Crystal structure of feruoyl-coa synthetase complexed with amp from amycolatopsis thermoflava
30% identity, 93% coverage: 31:526/536 of query aligns to 26:484/486 of 8wevA

query
sites
8wevA

G

G

V

G

H

T

T

A

F

L

T

T

Y

Y

K

A

E

E

I

L

V

S

Q

R

R

R

T

V

R

A

R

R

L

L

A

A

S

H

A

G

L

L

S

R

C

E

L

A

G

G

V

V

E

R

E

P

G

G

T

D

K

R

V

V

G

A

T

Y

L

L

A

G

W

P

N

N

H

H

H

P

R

A

H

Y

L

L

E

E

A

T

Y

L

F

F

A

A

I

C

P

G

C

Q

I

A

G

G

A

A

V

V

L

F

H

V

T

P

I

L

N

N

F

F

R

R

L

L

Y

G

P

V

Q

P

H

E

I

L

A

D

Y

H

I

A

V

L

N

A

H

D

A

S

R

G

D

A

E

S

V

V

L

L

L

I

I

H

D

T

K

P

D

E

L

H

L

A

P

E

L

T

V

V

E

A

A

A

I

L

K

A

-

G

D

D

Q

R

I

L

P

L

H

R

V

V

K

P

A

A

F

-

I

-

L

-

S

-

E

-

E

G

E

E

V

L

E

E

T

A

E

-

L

-

K

-

P

-

S

-

Y

-

S

-

Y

-

E

-

K

-

F

-

I

-

E

-

Q

A

R

D

D

D

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binding adenosine monophosphate: G267 (= G297), A268 (≠ S298), Y289 (= Y320), G290 (= G321), M291 (= M322), T292 (= T323), D371 (= D411), R386 (= R426)
binding magnesium ion: R186 (≠ V216)

Sites not aligning to the query:

binding magnesium ion: 24

P9WQ37 Long-chain-fatty-acid--CoA ligase FadD13; Fatty acyl-CoA ligase; FACL; FACL13; Fatty acyl-CoA synthetase; ACS; FACS; Very-long-chain fatty-acyl-CoA synthetase; ACSVL; EC 6.2.1.3 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 4 papers)
29% identity, 93% coverage: 35:531/536 of query aligns to 30:499/503 of P9WQ37

query
sites
P9WQ37

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A

K172 (= K187) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Slight increase of susceptibility to proteolysis.
R195 (≠ S212) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.
R197 (≠ K214) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-195 and A-244.
V209 (= V226) mutation to D: Strong reduction of the fatty acyl-CoA ligase activity. No significant change in the total expression level, however the cytoplasmic expression is reduced. Slight increase of susceptibility to proteolysis.
A211 (= A228) mutation to G: Slight increase of the fatty acyl-CoA ligase activity. Reduced rate of proteolytic degradation.
T214 (≠ L231) mutation to W: Shows a marked decrease in the activity with lauric and palmitic acid (C12 and C16 fatty acid) with a simultaneous increase in the activity with caprylic acid (C8 fatty acid).
R244 (= R262) mutation to A: Alteration of the strength of the membrane binding; when associated with A-17; A-195; A-195 and A-197.
A302 (≠ G321) mutation to G: Slight increase of the fatty acyl-CoA ligase activity. Reduced rate of proteolytic degradation.; mutation to W: Does not show activity with small, medium or long acyl chains.
W377 (= W406) mutation to A: Strong reduction of the fatty acyl-CoA ligase activity. Enhanced affinity towards palmitic acid binding. No significant change in the total expression level, however the cytoplasmic expression is low. Slight increase of susceptibility to proteolysis.
D382 (= D411) mutation to A: Strong reduction of the fatty acyl-CoA ligase activity. No significant change in the total expression level, however the cytoplasmic expression is reduced.
R397 (= R426) mutation to A: Reduction of binding affinity for fatty acids.
S404 (= S433) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Enhanced affinity towards palmitic acid binding.
G406 (= G435) mutation to L: No effect on the formation of acyl-adenylate intermediate. However, it shows very poor catalytic efficiency to form acyl-CoA.
K487 (= K519) mutation to A: Strong reduction of the fatty acyl-CoA ligase activity. Reduction of binding affinity for ATP.

Sites not aligning to the query:

9 R→A: Alteration of the strength of the membrane binding; when associated with A-9; A-195; A-197 and A-244.
17 R→A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.

3r44A Mycobacterium tuberculosis fatty acyl coa synthetase (see paper)
28% identity, 93% coverage: 35:531/536 of query aligns to 33:499/502 of 3r44A

query
sites
3r44A

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A

R

W

E

D

H

G

G

K

E

E

-

M

-

G

G

E

E

L

V

L

I

R

K

G

S

P

D

W

I

I

L

A

L

S

K

Q

E

Y

Y

E

W

N

N

D

R

-

P

E

E

R

A

T

T

L

R

G

D

S

A

F

F

K

D

D

N

G

G

W

W

L

F

Y

R

T

T

G

G

D

D

V

I

V

G

T

E

I

I

D

D

K

D

E

E

G

G

Y

Y

I

L

Q

Y

V

I

V

K

D

D

R

R

T

L

K

K

D

D

L

M

I

I

K
x
I

S

S

G

G

E

E

W
x
N

I

V

S

Y

S

P

V

A

D

E

I

I

E

E

N

S

A

V

I

I

M

I

A

G

H

V

E

P

G

G

V

V

F

S

E

E

A

V

A

A

V

V

V

I

A

G

I

L

P

P

H

D

E

E

Q

K

W

W

H

G

E

E

R

I

P

A

V

A

A

A

C

I

V

V

L

A

K

D

E

Q

G

-

Y

-

H

-

E

N

K

E

V

V

S

S

K

E

K

Q

D

Q

L

I

Y

V

E

E

F

Y

L

C

T

G

P

T

Q

R

F

L

A

A

K

R

W

Y

W

K

L

L

P

P

D

K

E

K

I

V

V

I

F

F

L

A

N

E

E

A

I

I

P

P

K

R

T

N

S

P

V

T

G

G

K
|
K

F

I

L

L

K

K

R

T

T

V

L

L

R

R

D

E

E

Q

I

Y

Q

S

A

A

active site: T167 (= T182), A184 (≠ Y201), H208 (= H225), T304 (= T323), E305 (= E324), I403 (≠ K432), N408 (≠ W437), K487 (= K519)
binding histidine: E179 (≠ R194), H182 (= H199)

Sites not aligning to the query:

binding histidine: 5

4wv3B Crystal structure of the anthranilate coa ligase auaeii in complex with anthranoyl-amp (see paper)
27% identity, 96% coverage: 10:526/536 of query aligns to 14:509/518 of 4wv3B

query
sites
4wv3B

D

D

L

I

I

L

E

E

R

R

A

N

E

-

V

-

Y

-

F

L

P

P

T

V

K

R

K

A

V

N

I

K

S

T

R

A

T

L

S

F

S

T

G

P

V

D

H

R

T

E

F

M

T

T

Y

F

K

R

E

Q

I

V

V

S

Q

N

R

E

T

A

R

N

R

Q

L

V

A

G

S

N

A

A

L

L

S

K

C

G

L

L

G

G

V

V

E

R

E

F

G

G

T

E

K

C

V

V

G

G

T

L

L

L

A

T

W

L

N

D

H

S

H

A

R

E

H

W

L

V

E

T

A

S

Y

F

F

F

A

G

I

I

P

V

C

K

I

L

G

G

A

A

V

I

L

A

H

V

T

G

I

I

N

N

F

T

R

L

L

L

Y

K

P

P

Q

P

H

E

I

Y

A

E

Y

Y

I

I

V

L

N

R

H

D

A

C

R

R

D

A

E

R

V

V

L

L

L

I

I

V

D

H

K

Q

D

E

L

F

L

L

P

P

L

L

V

I

E

E

A

S

I

I

K

R

D

G

Q

N

I

L

P

P

H

M

V

L

K

E

A

H

F

I

I

V

L

I

S

G

E

E

E

G

E

P

V

Q

E

E

T

G

E

Y

L

L

K

-

P

-

S

-

Y

-

S

S

Y

F

E

N

K

D

F

W

I

I

E

R

Q

P

R

Q

D

P

P

T

A

T

F

L

Q

E

F

A

T

A

K

Q

E

S

L

H

D

R

E

E

N

D

A

I

P

-

A

C

V

S

M

L

C

N

Y

Y

T
x
S

S

S

A

G

T

T

G

G

N

G

P

P

K

K

G

G

V

I

M

P

Y

H

S

A

H

H

R

K

G

D

I

Y

V

P

L

L

H

T

S

A

Y

Q

A

L

L

W

G

G

L

V

A

-

D

N

T

V

T

L

A

G

L

L

S

R

E

E

K

S

D

D

V

R

A

T

M

F

P

A

V

L

V

A

P

K

M

L

F

F

H
x
F

V
x
T

N
x
F

A

G

W

T

G

G

L

G

P

N

F

L

A

I

A

F

T

P

W

W

F

Y

-

V

G

G

T

A

T

S

Q

C

V

V

L

L

-

F

P

P

G

G

P

A

Y

A

F

R

T

V

P

A

E

S

I

N

L

V

A

L

T

S

L

T

I

I

E

S

E

R

H

F

R

K

V

P

T

T

I

I

T

F

A

Y

G

N

V

A

P

P

T

T

I

G

W

Y

N

A

G

A

L

A

L

L

Q

A

E

L

I

K

E

D

R

F

K

S

D

Q

Y

H

N

D

L

L

S

S

L

L

R

R

G

L

V

C

L

V

C

S

G
x
A

G
x
S

S
x
E

A
|
A

A

L

P

P

K

A

G

A

M

L

I

W

R

Y

A

A

Y

W

E

K

E

E

K

A

H

T

G

G

I

V

P

D

F

I

M

I

H

D

A
x
G

Y
x
I

G
|
G

M
x
C

T
|
T

E
|
E

T

N

S

-

P

-

L

F

A

H

I

I

I

F

A

I

S

S

E

N

K

R

S

P

S

-

L

-

G

G

E

D

L

I

N

R

Q

-

E

-

K

-

I

-

S

-

I

-

K

P

A

G

K

S

Q

S

G

G

I

K

L

P

V

V

P

E

G

G

L

Y

Q

E

M

L

K

K

I

L

V

V

G

D

K

D

D

E

G

G

E

K

V

T

A

V

W

P

D

A

G

G

K

-

E

E

M

I

G

G

E

N

L

V

L

L

R

R

G

S

P

E

W

T

I

A

A

A

-

L

S

S

Q

Y

Y

W

E

H

N

N

D

F

E

E

R

K

T

S

L

R

G

Q

S

T

F

F

K

Q

D

G

G

E

W

W

L

L

Y

A

T

T

G

G

D
|
D

V

K

V

Y

T

F

I

V

D

D

K

A

E

D

G

G

Y

Y

I

Y

Q

W

V
x
H

V

A

D

G

R
|
R

T

S

K

D

D

D

L

M

I

L

K
|
K

S

V

G

G

E

I

W
|
W

I

V

S

S

S

P

V

V

D

E

I

V

E

E

N

S

A

T

I

L

M

I

A

Q

H

H

E

P

G

A

V

V

F

Q

E

E

A

C

A

A

V

V

V

I

A

G

I

C

P

P

H

D

E

L

Q

I

W

-

H

-

E

-

R

K

P

P

V

K

A

A

C

F

V

I

L

L

K

K

E

P

G

Q

Y

I

H

P

E

S

K

E

V

A

S

L

K

I

K

R

D

Q

L

I

Y

T

E

D

F

H

L

C

T

T

P

E

Q

K

F

M

A

A

K

A

W

Y

W

K

L

R

P

P

D

R

E

W

I

I

V

E

F

F

L

V

N

T

E

E

I

L

P

P

K

K

T

T

S

A

V

T

G

G

K
|
K

F

I

L

Q

K

R

R

F

T

K

L

L

R

R

active site: S175 (≠ T179), T320 (= T323), E321 (= E324), K418 (= K432), W423 (= W437), K502 (= K519)
binding 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine: F220 (≠ H225), T221 (≠ V226), F222 (≠ N227), A293 (≠ G296), S294 (≠ G297), E295 (≠ S298), A296 (= A299), G316 (≠ A319), I317 (≠ Y320), G318 (= G321), C319 (≠ M322), T320 (= T323), D397 (= D411), H409 (≠ V423), R412 (= R426), K502 (= K519)

5gtdA O-succinylbenzoate coa synthetase (mene) from bacillus subtilis in complex with the acyl-adenylate intermediate osb-amp (see paper)
28% identity, 92% coverage: 33:527/536 of query aligns to 26:478/484 of 5gtdA

query
sites
5gtdA

H

Q

T

T

F

V

T

T

Y

F

K

A

E

E

I

L

V

F

Q

A

R

A

T

S

R

K

R

R

L

M

A

A

S

E

A

Q

L

L

S

A

C

A

L

H

G

S

V

V

E

R

E

K

G

G

T

D

K

T

V

A

G

A

T

I

L

L

A

L

W

Q

N

N

H

R

H

A

R

E

H

M

L

V

E

Y

A

A

Y

V

F

H

A

A

I

C

P

F

C

L

I

L

G

G

A

V

V

K

L

A

H

V

T

L

I

L

N

N

F

T

R

K

L

L

Y

S

P

T

Q

H

H

E

I

R

A

L

Y

F

I

Q

V

L

N

E

H

D

A

S

R

G

D

S

E

G

V

F

L

L

I

T

D

D

K

S

D

S

L

F

L

E

P

-

L

-

V

-

E

-

A

-

I

-

K

K

D

K

Q

E

I

Y

P

E

H

H

V

I

K

V

A

Q

F

T

I

I

I

D

L

V

S

D

E

E

E

-

V

-

E

-

T

-

E

-

L

-

K

-

P

-

S

-

Y

-

S

-

Y

-

E

-

K

-

F

L

I

M

E

K

Q

E

R

A

D

A

P

E

A

E

F

I

Q

E

F

I

T

E

K

A

E

Y

L

M

D

Q

E

M

N

D

A

A

P

T

A

A

V

T

M

L

C

M

Y

Y

T
|
T

S

S

A

G

T

T

G

G

N

K

P

P

K

K

G

G

V

V

M

Q

Y

Q

S

T

H

F

R

G

G

N

I

-

V

-

L

-

H

H

S

Y

Y

F

-
x
S

A

A

L

V

G

S

L

S

A

A

D

L

T

N

T

L

A

G

L

I

S

T

E

E

K

Q

D

D

V

R

A

W

M

L

P

I

V

A

V

L

P

P

M

L

F

F

H
|
H

V

I

N
x
S

A

G

W

L

G

S

L

A

P

L

F

F

A

K

A

S

T

V

W

I

F

Y

G

G

T

M

T

T

Q

V

V

V

L

L

P

H

G

Q

P

R

Y

F

F

S

T

V

P

S

E

D

I

V

L

L

A

H

T

S

L

-

I

I

E

N

E

R

H

H

R

E

V

V

T

T

I

M

T

I

A

S

G
x
A

V

V

P

Q

T

T

I

M

W

L

N

A

G

S

L

L

Q

E

E

E

I

T

E

N

R

R

K

C

D

P

Y

-

N

-

L

-

S

E

S

S

L

I

R

R

G

C

V

I

L
|
L

C

L

G
|
G

S
x
G

A

P

A

A

P

P

K

L

G

P

M

L

I

L

R

E

A

E

Y

C

E

R

E

E

K

K

H

-

G

G

I

F

P

P

F

V

M

F

H

Q

A

S

Y
|
Y

G
|
G

M
|
M

T
|
T

E
|
E

T

T

S

C

P
x
S

L
x
Q

A

I

I

V

I

T

A

L

S

S

E

P

K

E

S

F

S

S

L

M

G

E

E

K

L

L

N

G

Q

S

E

A

E

G

K

K

I

-

S

-

I

-

K

-

A

-

K

-

Q

-

G

-

I

-

L

-

V

-

P

P

G

L

L
x
F

Q
x
S

M

C

K

E

I

I

-

K

V

I

G

E

K

R

D

D

G

G

E

Q

V

V

A

C

W

-

D

E

G

P

K

Y

E

E

M

H

G

G

E

E

L

I

L

M

L

V

R

K

G

G

P

P

W

N

I

V

A

M

S

K

Q

S

Y

Y

E

F

N

N

D

R

E

E

R

S

-

A

T

N

L

E

G

A

S

S

F

F

K

Q

D

N

G

G

W

W

L

L

Y

K

T

T

G

G

D
|
D

V

L

V

G

T

Y

I

L

D

D

K

N

E

E

G

G

Y

F

I

L

Q

Y

V
|
V

V

L

D

D

R

R

T

R

K

S

D

D

L

L

I

I

K

I

S

S

G

G

E

E

W

N

I

I

S

Y

S

P

V

A

D

E

I

V

E

E

N

S

A

V

I

L

M

L

A

S

H

H

E

P

G

A

V

V

F

A

E

E

A

A

A

G

V

V

V

S

A

G

I

A

P

E

H

D

E

K

Q

K

W

W

H

G

E

K

R

V

P

P

V

H

A

A

C

Y

V

L

V

V

L

L

K

-

E

-

G

-

Y

-

H

H

E

K

K

P

V

V

S

S

K

A

K

G

D

E

L

L

Y

T

E

D

F

Y

L

C

T

K

P

E

Q

R

F

L

A

A

K

K

W

Y

W

K

L

I

P

P

D

A

E

K

I

F

V

F

F

V

L

L

N

D

E

R

I

L

P

P

K

R

T

N

S

A

V

S

G

N

K

K

F

L

L

L

K

R

R

N

T

Q

L

L

R

K

D

D

active site: T151 (= T179), S171 (vs. gap), H195 (= H225), T288 (= T323), E289 (= E324)
binding adenosine-5'-monophosphate: G263 (= G297), G264 (≠ S298), Y285 (= Y320), G286 (= G321), M287 (= M322), T288 (= T323), D366 (= D411), V378 (= V423)
binding magnesium ion: F314 (≠ L360), S315 (≠ Q361)
binding 2-succinylbenzoate: H195 (= H225), S197 (≠ N227), A237 (≠ G268), L260 (= L294), G262 (= G296), G263 (= G297), G286 (= G321), M287 (= M322), S292 (≠ P327), Q293 (≠ L328)

5x8fB Ternary complex structure of a double mutant i454ra456k of o- succinylbenzoate coa synthetase (mene) from bacillus subtilis bound with amp and its product analogue osb-ncoa at 1.76 angstrom (see paper)
28% identity, 92% coverage: 33:527/536 of query aligns to 26:478/485 of 5x8fB

query
sites
5x8fB

H

Q

T

T

F

V

T

T

Y

F

K

A

E

E

I

L

V

F

Q

A

R

A

T

S

R

K

R

R

L

M

A

A

S

E

A

Q

L

L

S

A

C

A

L

H

G

S

V

V

E

R

E

K

G

G

T

D

K

T

V

A

G

A

T

I

L

L

A

L

W

Q

N

N

H

R

H

A

R

E

H

M

L

V

E

Y

A

A

Y

V

F
x
H

A

A

I

C

P

F

C

L

I

L

G

G

A

V

V

K

L

A

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D

active site: T151 (= T179), S171 (vs. gap), H195 (= H225), T288 (= T323), E289 (= E324), I387 (≠ K432), N392 (≠ W437), K470 (= K519)
binding magnesium ion: H70 (≠ F77), N178 (≠ T208), L202 (≠ P232), L214 (= L244), T296 (≠ I331), L297 (≠ A332), S298 (= S333)
binding o-succinylbenzoyl-N-coenzyme A: K85 (≠ R92), L191 (≠ V221), P192 (= P222), H195 (= H225), I196 (≠ V226), S197 (≠ N227), A237 (≠ G268), V238 (= V269), L260 (= L294), G262 (= G296), G286 (= G321), M287 (= M322), S292 (≠ P327), Q293 (≠ L328), S388 (= S433), G389 (= G434), G390 (= G435), E391 (= E436), K420 (≠ Q465), W421 (= W466), K450 (= K499), Y451 (≠ W500)

Sites not aligning to the query:

binding magnesium ion: 23, 24

Query Sequence

>WP_010171340.1 NCBI__GCF_000171615.1:WP_010171340.1
MMNTPLLLTDLIERAEVYFPTKKVISRTSSGVHTFTYKEIVQRTRRLASALSCLGVEEGT
KVGTLAWNHHRHLEAYFAIPCIGAVLHTINFRLYPQHIAYIVNHARDEVLLIDKDLLPLV
EAIKDQIPHVKAFIILSEEEVETELKPSYSYEKFIEQRDPAFQFTKELDENAPAVMCYTS
ATTGNPKGVMYSHRGIVLHSYALGLADTTALSEKDVAMPVVPMFHVNAWGLPFAATWFGT
TQVLPGPYFTPEILATLIEEHRVTITAGVPTIWNGLLQEIERKDYNLSSLRGVLCGGSAA
PKGMIRAYEEKHGIPFMHAYGMTETSPLAIIASEKSSLGELNQEEKISIKAKQGILVPGL
QMKIVGKDGEVAWDGKEMGELLLRGPWIASQYENDERTLGSFKDGWLYTGDVVTIDKEGY
IQVVDRTKDLIKSGGEWISSVDIENAIMAHEGVFEAAVVAIPHEQWHERPVACVVLKEGY
HEKVSKKDLYEFLTPQFAKWWLPDEIVFLNEIPKTSVGKFLKRTLRDEIQALFQQS

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