SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010527149.1 NCBI__GCF_000220155.1:WP_010527149.1 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)

Q4WR83 Acyl-CoA ligase sidI; Siderophore biosynthesis protein I; EC 6.2.1.- from Aspergillus fumigatus (strain ATCC MYA-4609 / CBS 101355 / FGSC A1100 / Af293) (Neosartorya fumigata) (see paper)
41% identity, 98% coverage: 11:549/549 of query aligns to 38:580/590 of Q4WR83

query
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Q4WR83

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Sites not aligning to the query:

6:14 PTS2-type peroxisomal targeting signal

4gxqA Crystal structure of atp bound rpmatb-bxbclm chimera b1 (see paper)
31% identity, 96% coverage: 13:540/549 of query aligns to 3:499/506 of 4gxqA

query
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4gxqA

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active site: T163 (= T201), N183 (= N221), H207 (= H245), T303 (= T344), E304 (= E345), I403 (= I447), N408 (= N452), A491 (≠ K532)
binding adenosine-5'-triphosphate: T163 (= T201), S164 (= S202), G165 (= G203), T166 (= T204), T167 (= T205), H207 (= H245), S277 (≠ G317), A278 (≠ S318), P279 (≠ L319), E298 (≠ I339), M302 (≠ L343), T303 (= T344), D382 (= D426), R397 (= R441)
binding carbonate ion: H207 (= H245), S277 (≠ G317), R299 (≠ V340), G301 (= G342)

P69451 Long-chain-fatty-acid--CoA ligase; Long-chain acyl-CoA synthetase; Acyl-CoA synthetase; EC 6.2.1.3 from Escherichia coli (strain K12) (see paper)
30% identity, 98% coverage: 3:540/549 of query aligns to 20:551/561 of P69451

query
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P69451

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D

H

D

N

M

G

E

Y

L

R

L

M

K

Q

R

Y

-

V

K

K

S

P

E

E

V

L

S

V

C

P

H

E

D

D

V

L

V

A

N

F

M

L

Q

Q

Y
|
Y

T
|
T

S

G

G
|
G

T
|
T

T

T

G
|
G

F

V

P

A

K
|
K

G

G

V

A

M

M

L

L

T

T

H

H

F

R

N

N

I

M

V

L

N

A

N

N

G

L

K

E

G

Q

I

V

G

-

D

-

N

N

M

A

Q

T

Y

Y

T

G

P

P

-

L

-

H

-

P

-

G

D

K

D

E

R

L

L

V

L

T

C

A

V

L

P

P

L

L

F

Y

H

H

C

I

F

F

G

A

C

L

V

T

L

I

G

N

V

C

C

L

A

L

V

F

I

I

T

E

-

L

H

G

G

G

V

Q

S

N

M

L

V

L

I

I

T

T

E

N

D

P

F

R

D

D

P

I

L

P

R

G

V

L

L

V

A

K

A

E

V

L

Q

A

K

K

E

Y

K

P

C

F

T

T

S

A

I

I

Y

T

G

G

V

V

P

N

T

T

M

L

F

F

I

N

A

A

E

L

M

L

N

N

H

N

P

K

M

E

F

F

D

Q

M

Q

F

L

D

D

L

F

S

S

L

L

R

H

T

-

G

-

I

L

M

S

A

A

G

G

S

G

L

G

C

M

P

P

I

V

E

Q

-

Q

T

V

M

V

K

A

Q

E

V

R

M

W

T

V

K

K

M

L

N

T

C

G

R

Q

D

Y

I

L

I

E

V

G

Y

Y

G

G

L

L

T

T

E
|
E

A

C

S

A

P

P

G

L

M

V

T

S

T

V

T

N

H

P

I

Y

D

D

D

I

S

-

P

-

E

D

I

Y

R

H

A

S

T

G

T

S

V

I

G

G

K

L

E

P

L

V

P

P

G

S

V

T

E

E

V

A

K

K

I

L

F

V

D

D

P

-

D

D

T

D

G

D

E

N

E

E

L

V

G

P

P

P

N

G

Q

Q

Q

P

G

G

E

E

I

L

C

C

C

V

R

K

G

G

Y

P

N

Q

V

V

M

M

K

L

G

G

Y

Y

Y

W

N

Q

D

R

P

P

Q

D

A

A

T

T

R

D

E

E

A

I

I

I

D

-

E

K

D

N

G

G

W

W

L

L

H

H

S

T

G

G

D

D

L

I

A

A

V

V

K

M

T

D

E

E

D

E

G

G

Y

F

Y

L

K

R

I

I

T

V

G

D

R

R

I

K

K

K

D

D

M

M

I

I

I

L

R

V

G

S

G

G

E

F

N

N

I

V

Y

Y

P

P

R

N

E

E

I

I

E

E

N

D

F

V

L

V

Y

M

N

Q

M

H

P

P

E

G

I

V

E

Q

M

E

V

V

E

A

V

A

V

V

G

G

L

V

P

P

D

S

E

G

K

S

Y

S

G

G

E

E

I

A

V

V

G

K

A

I

F

F

I

V

K

-

L

V

K

K

E

K

G

D

A

P

F

S

L

L

T

T

E

E

E

S

V

L

R

V

D

T

F

F

C

C

R

R

G

R

K

Q

I

L

A

T

R

G

Y

Y

K

K

I

V

P

P

K

K

H

L

V

V

F

E

F

F

V

R

D

D

D

E

F

L

P

P

K

K

T

S

A

N

S

V

G

G

K

K

I

I

Q

L

K

R

Y

R

K

E

L

L

R

R

E

D

Y213 (= Y200) mutation to A: Loss of activity.
T214 (= T201) mutation to A: 10% of wild-type activity.
G216 (= G203) mutation to A: Decreases activity.
T217 (= T204) mutation to A: Decreases activity.
G219 (= G206) mutation to A: Decreases activity.
K222 (= K209) mutation to A: Decreases activity.
E361 (= E345) mutation to A: Loss of activity.

O24146 4-coumarate--CoA ligase 2; 4CL 2; Nt4CL-19; Nt4CL-2; 4-coumaroyl-CoA synthase 2; Caffeate--CoA ligase; Cinnamate--CoA ligase; Ferulate--CoA ligase; EC 6.2.1.12; EC 6.2.1.-; EC 6.2.1.-; EC 6.2.1.34 from Nicotiana tabacum (Common tobacco) (see paper)
32% identity, 93% coverage: 38:545/549 of query aligns to 53:540/542 of O24146

query
sites
O24146

F

Y

S

T

Y

Y

S

A

E

D

F

V

N

E

Q

L

R

N

V

S

D

R

N

K

L

V

A

A

K

A

G

G

L

L

M

H

A

K

I

Q

G

G

V

I

Q

Q

K

P

G

K

D

D

K

T

V

I

G

M

I

I

W

L

A

L

N

P

N

N

V

S

P

P

D

E

W

F

T

V

T

F

L

A

M

F

F

I

A

G

T

A

A

S

K

Y

I

L

G

G

A

A

V

I

L

S

V

T

T

M

I

A

N

N

T

P

N

L

Y

F

K

T

L

P

A

A

E

E

L

V

E

V

F

K

L

Q

I

A

K

K

N

A

A

S

D

S

L

A

N

K

T

I

L

I

-

V

-

T

-

Q

-

A

C

C

L

H

I

V

D

N

G

K

Y

V

R

K

D

D

S

Y

D

A

Y

F

V

E

D

N

M

D

I

V

F

K

Q

I

L

I

V

C

P

-

E

-

L

I

K

D

T

S

A

A

P

P

R

E

G

G

K

C

L

L

K

H

S

F

K

S

K

V

F

L

P

T

Q

Q

L

A

R

N

N

E

V

-

F

-

L

-

G

-

P

-

Q

-

K

-

H

-

R

-

G

-

M

-

Y

H

N

D

T

I

P

P

E

E

L

V

L

-

G

-

T

-

Q

-

V

-

D

-

M

-

E

-

L

-

K

-

R

-

K

-

S

-

E

E

V

I

S

Q

C

P

H

D

D

D

V

V

N

A

M

L

Q

P

Y

Y

T
x
S

S
|
S

G
|
G

T
|
T

G

G

F

L

P

P

K
|
K

G

G

V

V

M

M

L

L

T

T

H

H

F

K

N

G

I

L

V

V

N

T

N

S

G

V

K

A

-

Q

-

V

-

D

G

G

I

E

G

N

D

P

N

N

M

L

Q

Y

Y

I

T

H

P

S

D

E

D

D

R

V

L

M

L

L

L

C

C

V

V

L

P

P

L

L

F

F

H
|
H

C

I

F
x
Y

G

S

C

L

V

N

L
x
S

G

V

V

L

C

L

A

C

V

G

I

L

T

R

H

V

G

G

V

A

S

A

M

I

V

L

I

I

T

M

E

Q

D
x
K

F

F

D

D

P

I

L

V

R

S

V

F

L

L

A

E

A

L

V

I

Q

Q

K

R

E

Y

K

K

C

V

T

T

S

I

I

G

Y

P

G

F

V

V

P

P

T

P

M

I

F

V

I

L

A

A

E

I

M

A

N

K

H

S

P

P

M

M

F

V

D

D

M

D

F

Y

D

D

L

L

S

S

L

V

R

R

T

T

G

-

I

V

M

M

A

S

G

G

S
x
A

L

-

C

A

P

P

I

L

-

G

-

K

E

E

T

L

M

E

K

D

Q

T

V

V

M

R

T

A

K

K

M

F

N

P

C

N

R

A

D

K

I

L

I

G

I
x
Q

V
x
G

Y

Y

G

G

L

M

T
|
T

E

E

A

A

S

G

P

P

-
x
V

-

L

G

A

M
|
M

T

C

T

L

T

A

H

F

I

A

D

K

D

E

S

P

P

F

E

E

I

I

R

K

A

S

T

G

T

A

V

C

G

G

K

T

E

V

L

V

P

R

G

N

V

A

E

E

V

M

K

K

I

I

F

V

D

D

P

P

D

K

T

T

G

G

E

N

E

S

L

L

G

P

P

R

N

N

Q

Q

Q

S

G

G

E

E

I

I

C

C

C

I

R

R

G

G

Y

D

N

Q

V

I

M

M

K

K

G

G

Y

Y

Y

L

N

N

D

D

P

P

Q

E

A

A

T

T

R

A

E

R

A

T

I

I

D

D

E

K

D

E

G

G

W

W

L

L

H

Y

S

T

G

G

D
|
D

L

I

A

G

V

Y

K

I

T

D

E

D

D

D

G

D

Y

E

Y

L

K

F

I

I

T

V

G

D

R
|
R

I

L

K
|
K

D

E

M

L

I

I

I
x
K

R

Y

G
x
K

G
|
G

E

F

N
x
Q

I

V

Y

A

P

P

R

A

E

E

I

L

E

E

N

A

F

L

L

L

Y

L

N

N

M

H

P

P

E

N

I

I

E

S

M

D

V

A

E

A

V

V

G

P

L

M

P

K

D

D

E

E

K

Q

Y

A

G

G

E

E

I

V

V

P

G

V

A

A

F

F

I

V

K

V

L

R

K

S

E

N

G

G

A

S

F

T

L

I

T

T

E

E

E

D

E

E

V

V

R

K

D

D

F

F

C

I

R

S

G

K

K

Q

I

V

A

I

R

F

Y

Y

K

K

I

R

P

I

K

K

H

R

V

V

F

F

V

V

D

D

D

A

F

I

P

P

K

K

T

S

A

P

S

S

G

G

K
|
K

I

I

Q

L

K

R

Y

K

K

D

L

L

R

R

-

A

E

K

L

L

G

A

A

A

Q

G

L

L

S189 (≠ T201) binding ATP
S190 (= S202) binding ATP
G191 (= G203) binding ATP
T192 (= T204) binding ATP
T193 (= T205) binding ATP; mutation to A: Reduced activity against 4-coumarate.
K197 (= K209) binding ATP; mutation to A: Reduced activity against 4-coumarate.
H237 (= H245) mutation to A: Strongly reduced activity against 4-coumarate.
Y239 (≠ F247) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; mutation to A: Strongly reduced activity against 4-coumarate.; mutation to F: Reduced activity against 4-coumarate.
S243 (≠ L251) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP
K260 (≠ D268) binding CoA
A309 (≠ S318) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP
Q331 (≠ I339) binding ATP
G332 (≠ V340) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP; binding ATP
T336 (= T344) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP; binding ATP; mutation to A: Strongly reduced activity against 4-coumarate.
V341 (vs. gap) mutation to G: Reduced activity against 4-coumarate.; mutation Missing: Reduced activity against 4-coumarate, but acquired ability to use sinapate as substrate.
M344 (= M350) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; mutation to A: Reduced activity against 4-coumarate.
D420 (= D426) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP; binding ATP
R435 (= R441) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding ATP; mutation to A: Strongly reduced activity against 4-coumarate.
K437 (= K443) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP
K441 (≠ I447) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP; mutation to A: Abolished activity against 4-coumarate.
K443 (≠ G449) binding CoA; mutation to A: Normal activity against 4-coumarate.
G444 (= G450) binding CoA
Q446 (≠ N452) binding AMP
K526 (= K532) binding ATP; mutation to A: Abolished activity against 4-coumarate.

5bsvA Crystal structure of 4-coumarate:coa ligase complexed with feruloyl adenylate (see paper)
32% identity, 91% coverage: 38:539/549 of query aligns to 46:526/529 of 5bsvA

query
sites
5bsvA

F

Y

S

T

Y

Y

S

A

E

D

F

V

N

E

Q

L

R

N

V

S

D

R

N

K

L

V

A

A

K

A

G

G

L

L

M

H

A

K

I

Q

G

G

V

I

Q

Q

K

P

G

K

D

D

K

T

V

I

G

M

I

I

W

L

A

L

N

P

N

N

V

S

P

P

D

E

W

F

T

V

T

F

L

A

M

F

F

I

A

G

T

A

A

S

K

Y

I

L

G

G

A

A

V

I

L

S

V

T

T

M

I

A

N

N

T

P

N

L

Y

F

K

T

L

P

A

A

E

E

L

V

E

V

F

K

L

Q

I

A

K

K

N

A

A

S

D

S

L

A

N

K

T

I

L

I

-

V

-

T

-

Q

-

A

C

C

L

H

I

V

D

N

G

K

Y

V

R

K

D

D

S

Y

D

A

Y

F

V

E

D

N

M

D

I

V

F

K

Q

I

L

I

V

C

P

-

E

-

L

I

K

D

T

S

A

A

P

P

R

E

G

G

K

C

L

L

K

H

S

F

K

S

K

V

F

L

P

T

Q

Q

L

A

R

N

N

E

V

-

F

-

L

-

G

-

P

-

Q

-

K

-

H

-

R

-

G

-

M

-

Y

H

N

D

T

I

P

P

E

E

L

V

L

-

G

-

T

-

Q

-

V

-

D

-

M

-

E

-

L

-

K

-

R

-

K

-

S

-

E

E

V

I

S

Q

C

P

H

D

D

D

V

V

N

A

M

L

Q

P

Y

Y

T
x
S

S

S

G

G

T

T

G

G

F

L

P

P

K

K

G

G

V

V

M

M

L

L

T

T

H

H

F

K

N

G

I

L

V

V

N

T

N
x
S

G

V

K

A

-

Q

-

V

-

D

G

G

I

E

G

N

D

P

N

N

M

L

Q

Y

Y

I

T

H

P

S

D

E

D

D

R

V

L

M

L

L

L

C

C

V

V

L

P

P

L

L

F

F

H
|
H

C

I

F
x
Y

G

S

C

L

V

N

L
x
S

G

V

V

L

C

L

A

C

V

G

I

L

T

R

H

V

G

G

V

A

S

A

M

I

V

L

I

I

T

M

E

Q

D

K

F

F

D

D

P

I

L

V

R

S

V

F

L

L

A

E

A

L

V

I

Q

Q

K

R

E

Y

K

K

C

V

T

T

S

I

I

G

Y

P

G

F

V

V

P

P

T

P

M

I

F

V

I

L

A

A

E

I

M

A

N

K

H

S

P

P

M

M

F

V

D

D

M

D

F

Y

D

D

L

L

S

S

L

V

R

R

T

T

G

-

I

V

M

M

A

S

G

G

S
x
A

L

-

C
x
A

P
|
P

I

L

-

G

-

K

E

E

T

L

M

E

K

D

Q

T

V

V

M

R

T

A

K

K

M

F

N

P

C

N

R

A

D

K

I

L

I

G

I

Q

V
x
G

Y

Y

G
|
G

L
x
M

T
|
T

E
|
E

A

A

S

G

P
|
P

-
x
V

-

L

G

A

M

M

T

C

T

L

T

A

H

F

I

A

D

K

D

E

S

P

P

F

E

E

I

I

R

K

A

S

T

G

T

A

V

C

G

G

K

T

E

V

L

V

P

R

G

N

V

A

E

E

V

M

K

K

I

I

F

V

D

D

P

P

D

K

T

T

G

G

E

N

E

S

L

L

G

P

P

R

N

N

Q

Q

Q

S

G

G

E

E

I

I

C

C

C

I

R

R

G

G

Y

D

N

Q

V

I

M

M

K

K

G

G

Y

Y

Y

L

N

N

D

D

P

P

Q

E

A

A

T

T

R

A

E

R

A

T

I

I

D

D

E

K

D

E

G

G

W

W

L

L

H

Y

S

T

G

G

D
|
D

L

I

A

G

V

Y

K

I

T

D

E

D

D

D

G

D

Y

E

Y

L

K

F

I

I

T

V

G

D

R

R

I

L

K
|
K

D

E

M

L

I

I

I
x
K

R

Y

G

K

G

G

E

F

N
x
Q

I

V

Y

A

P

P

R

A

E

E

I

L

E

E

N

A

F

L

L

L

Y

L

N

N

M

H

P

P

E

N

I

I

E

S

M

D

V

A

E

A

V

V

G

P

L

M

P

K

D

D

E

E

K

Q

Y

A

G

G

E

E

I

V

V

P

G

V

A

A

F

F

I

V

K

V

L

R

K

S

E

N

G

G

A

S

F

T

L

I

T

T

E

E

E

D

E

E

V

V

R

K

D

D

F

F

C

I

R

S

G

K

K

Q

I

V

A

I

R

F

Y

Y

K

K

I

R

P

I

K

K

H

R

V

V

F

F

V

V

D

D

D

A

F

I

P

P

K

K

T

S

A

P

S

S

G

G

K
|
K

I

I

Q

L

K

R

Y

K

K

D

L

L

R

R

active site: S182 (≠ T201), S202 (≠ N221), H230 (= H245), T329 (= T344), E330 (= E345), K434 (≠ I447), Q439 (≠ N452), K519 (= K532)
binding 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine: H230 (= H245), Y232 (≠ F247), S236 (≠ L251), A302 (≠ S318), A303 (≠ C320), P304 (= P321), G325 (≠ V340), G327 (= G342), M328 (≠ L343), T329 (= T344), P333 (= P348), V334 (vs. gap), D413 (= D426), K430 (= K443), K434 (≠ I447), Q439 (≠ N452)

5bsuA Crystal structure of 4-coumarate:coa ligase complexed with caffeoyl adenylate (see paper)
32% identity, 91% coverage: 38:539/549 of query aligns to 46:526/529 of 5bsuA

query
sites
5bsuA

F

Y

S

T

Y

Y

S

A

E

D

F

V

N

E

Q

L

R

N

V

S

D

R

N

K

L

V

A

A

K

A

G

G

L

L

M

H

A

K

I

Q

G

G

V

I

Q

Q

K

P

G

K

D

D

K

T

V

I

G

M

I

I

W

L

A

L

N

P

N

N

V

S

P

P

D

E

W

F

T

V

T

F

L

A

M

F

F

I

A

G

T

A

A

S

K

Y

I

L

G

G

A

A

V

I

L

S

V

T

T

M

I

A

N

N

T

P

N

L

Y

F

K

T

L

P

A

A

E

E

L

V

E

V

F

K

L

Q

I

A

K

K

N

A

A

S

D

S

L

A

N

K

T

I

L

I

-

V

-

T

-

Q

-

A

C

C

L

H

I

V

D

N

G

K

Y

V

R

K

D

D

S

Y

D

A

Y

F

V

E

D

N

M

D

I

V

F

K

Q

I

L

I

V

C

P

-

E

-

L

I

K

D

T

S

A

A

P

P

R

E

G

G

K

C

L

L

K

H

S

F

K

S

K

V

F

L

P

T

Q

Q

L

A

R

N

N

E

V

-

F

-

L

-

G

-

P

-

Q

-

K

-

H

-

R

-

G

-

M

-

Y

H

N

D

T

I

P

P

E

E

L

V

L

-

G

-

T

-

Q

-

V

-

D

-

M

-

E

-

L

-

K

-

R

-

K

-

S

-

E

E

V

I

S

Q

C

P

H

D

D

D

V

V

N

A

M

L

Q

P

Y

Y

T
x
S

S

S

G

G

T

T

G

G

F

L

P

P

K

K

G

G

V

V

M

M

L

L

T

T

H

H

F

K

N

G

I

L

V

V

N

T

N
x
S

G

V

K

A

-

Q

-

V

-

D

G

G

I

E

G

N

D

P

N

N

M

L

Q

Y

Y

I

T

H

P

S

D

E

D

D

R

V

L

M

L

L

L

C

C

V

V

L

P

P

L

L

F

F

H
|
H

C

I

F
x
Y

G

S

C

L

V

N

L
x
S

G

V

V

L

C

L

A

C

V

G

I

L

T

R

H

V

G

G

V

A

S

A

M

I

V

L

I

I

T

M

E

Q

D

K

F

F

D

D

P

I

L

V

R

S

V

F

L

L

A

E

A

L

V

I

Q

Q

K

R

E

Y

K

K

C

V

T

T

S

I

I

G

Y

P

G

F

V

V

P

P

T

P

M

I

F

V

I

L

A

A

E

I

M

A

N

K

H

S

P

P

M

M

F

V

D

D

M

D

F

Y

D

D

L

L

S

S

L

V

R

R

T

T

G

-

I

V

M
|
M

A

S

G

G

S
x
A

L

-

C
x
A

P
|
P

I

L

-

G

-

K

E

E

T

L

M

E

K

D

Q

T

V

V

M

R

T

A

K

K

M

F

N

P

C

N

R

A

D

K

I

L

I

G

I

Q

V
x
G

Y

Y

G
|
G

L
x
M

T
|
T

E
|
E

A

A

S

G

P
|
P

-

V

-

L

G

A

M

M

T

C

T

L

T

A

H

F

I

A

D

K

D

E

S

P

P

F

E

E

I

I

R

K

A

S

T

G

T

A

V

C

G

G

K

T

E

V

L

V

P

R

G

N

V

A

E

E

V

M

K

K

I

I

F

V

D

D

P

P

D

K

T

T

G

G

E

N

E

S

L

L

G

P

P

R

N

N

Q

Q

Q

S

G

G

E

E

I

I

C

C

C

I

R

R

G

G

Y

D

N

Q

V

I

M

M

K

K

G

G

Y

Y

Y

L

N

N

D

D

P

P

Q

E

A

A

T

T

R

A

E

R

A

T

I

I

D

D

E

K

D

E

G

G

W

W

L

L

H

Y

S

T

G

G

D
|
D

L

I

A

G

V

Y

K

I

T

D

E

D

D

D

G

D

Y

E

Y

L

K

F

I

I

T

V

G

D

R

R

I

L

K
|
K

D

E

M

L

I

I

I
x
K

R

Y

G

K

G

G

E

F

N
x
Q

I

V

Y

A

P

P

R

A

E

E

I

L

E

E

N

A

F

L

L

L

Y

L

N

N

M

H

P

P

E

N

I

I

E

S

M

D

V

A

E

A

V

V

G

P

L

M

P

K

D

D

E

E

K

Q

Y

A

G

G

E

E

I

V

V

P

G

V

A

A

F

F

I

V

K

V

L

R

K

S

E

N

G

G

A

S

F

T

L

I

T

T

E

E

E

D

E

E

V

V

R

K

D

D

F

F

C

I

R

S

G

K

K

Q

I

V

A

I

R

F

Y

Y

K

K

I

R

P

I

K

K

H

R

V

V

F

F

V

V

D

D

D

A

F

I

P

P

K

K

T

S

A

P

S

S

G

G

K
|
K

I

I

Q

L

K

R

Y

K

K

D

L

L

R

R

active site: S182 (≠ T201), S202 (≠ N221), H230 (= H245), T329 (= T344), E330 (= E345), K434 (≠ I447), Q439 (≠ N452), K519 (= K532)
binding 5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine: H230 (= H245), Y232 (≠ F247), S236 (≠ L251), M299 (= M315), A302 (≠ S318), A303 (≠ C320), P304 (= P321), G325 (≠ V340), G327 (= G342), M328 (≠ L343), T329 (= T344), P333 (= P348), D413 (= D426), K430 (= K443), K434 (≠ I447), Q439 (≠ N452)

5bstA Crystal structure of 4-coumarate:coa ligase complexed with coumaroyl adenylate (see paper)
32% identity, 91% coverage: 38:539/549 of query aligns to 46:526/529 of 5bstA

query
sites
5bstA

F

Y

S

T

Y

Y

S

A

E

D

F

V

N

E

Q

L

R

N

V

S

D

R

N

K

L

V

A

A

K

A

G

G

L

L

M

H

A

K

I

Q

G

G

V

I

Q

Q

K

P

G

K

D

D

K

T

V

I

G

M

I

I

W

L

A

L

N

P

N

N

V

S

P

P

D

E

W

F

T

V

T

F

L

A

M

F

F

I

A

G

T

A

A

S

K

Y

I

L

G

G

A

A

V

I

L

S

V

T

T

M

I

A

N

N

T

P

N

L

Y

F

K

T

L

P

A

A

E

E

L

V

E

V

F

K

L

Q

I

A

K

K

N

A

A

S

D

S

L

A

N

K

T

I

L

I

-

V

-

T

-

Q

-

A

C

C

L

H

I

V

D

N

G

K

Y

V

R

K

D

D

S

Y

D

A

Y

F

V

E

D

N

M

D

I

V

F

K

Q

I

L

I

V

C

P

-

E

-

L

I

K

D

T

S

A

A

P

P

R

E

G

G

K

C

L

L

K

H

S

F

K

S

K

V

F

L

P

T

Q

Q

L

A

R

N

N

E

V

-

F

-

L

-

G

-

P

-

Q

-

K

-

H

-

R

-

G

-

M

-

Y

H

N

D

T

I

P

P

E

E

L

V

L

-

G

-

T

-

Q

-

V

-

D

-

M

-

E

-

L

-

K

-

R

-

K

-

S

-

E

E

V

I

S

Q

C

P

H

D

D

D

V

V

N

A

M

L

Q

P

Y

Y

T
x
S

S

S

G

G

T

T

G

G

F

L

P

P

K

K

G

G

V

V

M

M

L

L

T

T

H

H

F

K

N

G

I

L

V

V

N

T

N
x
S

G

V

K

A

-

Q

-

V

-

D

G

G

I

E

G

N

D

P

N

N

M

L

Q

Y

Y

I

T

H

P

S

D

E

D

D

R

V

L

M

L

L

L

C

C

V

V

L

P

P

L

L

F

F

H
|
H

C

I

F
x
Y

G

S

C

L

V

N

L
x
S

G

V

V

L

C

L

A

C

V

G

I

L

T

R

H

V

G

G

V

A

S

A

M

I

V

L

I

I

T

M

E

Q

D

K

F

F

D

D

P

I

L

V

R

S

V

F

L

L

A

E

A

L

V

I

Q

Q

K

R

E

Y

K

K

C

V

T

T

S

I

I

G

Y

P

G

F

V

V

P

P

T

P

M

I

F

V

I

L

A

A

E

I

M

A

N

K

H

S

P

P

M

M

F

V

D

D

M

D

F

Y

D

D

L

L

S

S

L

V

R

R

T

T

G

-

I

V

M

M

A

S

G

G

S
x
A

L

-

C
x
A

P
|
P

I

L

-

G

-

K

E

E

T

L

M

E

K

D

Q

T

V

V

M

R

T

A

K

K

M

F

N

P

C

N

R

A

D

K

I

L

I

G

I

Q

V
x
G

Y
|
Y

G
|
G

L
x
M

T
|
T

E
|
E

A

A

S

G

P
|
P

-
x
V

-

L

G

A

M

M

T

C

T

L

T

A

H

F

I

A

D

K

D

E

S

P

P

F

E

E

I

I

R

K

A

S

T

G

T

A

V

C

G

G

K

T

E

V

L

V

P

R

G

N

V

A

E

E

V

M

K

K

I

I

F

V

D

D

P

P

D

K

T

T

G

G

E

N

E

S

L

L

G

P

P

R

N

N

Q

Q

Q

S

G

G

E

E

I

I

C

C

C

I

R

R

G

G

Y

D

N

Q

V

I

M

M

K

K

G

G

Y

Y

Y

L

N

N

D

D

P

P

Q

E

A

A

T

T

R

A

E

R

A

T

I

I

D

D

E

K

D

E

G

G

W

W

L

L

H

Y

S

T

G

G

D
|
D

L

I

A

G

V

Y

K

I

T

D

E

D

D

D

G

D

Y

E

Y

L

K

F

I

I

T

V

G

D

R

R

I

L

K
|
K

D

E

M

L

I

I

I
x
K

R

Y

G

K

G

G

E

F

N
x
Q

I

V

Y

A

P

P

R

A

E

E

I

L

E

E

N

A

F

L

L

L

Y

L

N

N

M

H

P

P

E

N

I

I

E

S

M

D

V

A

E

A

V

V

G

P

L

M

P

K

D

D

E

E

K

Q

Y

A

G

G

E

E

I

V

V

P

G

V

A

A

F

F

I

V

K

V

L

R

K

S

E

N

G

G

A

S

F

T

L

I

T

T

E

E

E

D

E

E

V

V

R

K

D

D

F

F

C

I

R

S

G

K

K

Q

I

V

A

I

R

F

Y

Y

K

K

I

R

P

I

K

K

H

R

V

V

F

F

V

V

D

D

D

A

F

I

P

P

K

K

T

S

A

P

S

S

G

G

K
|
K

I

I

Q

L

K

R

Y

K

K

D

L

L

R

R

active site: S182 (≠ T201), S202 (≠ N221), H230 (= H245), T329 (= T344), E330 (= E345), K434 (≠ I447), Q439 (≠ N452), K519 (= K532)
binding 5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine: H230 (= H245), Y232 (≠ F247), S236 (≠ L251), A302 (≠ S318), A303 (≠ C320), P304 (= P321), G325 (≠ V340), Y326 (= Y341), G327 (= G342), M328 (≠ L343), T329 (= T344), P333 (= P348), V334 (vs. gap), D413 (= D426), K430 (= K443), K434 (≠ I447), Q439 (≠ N452)

Q9S725 4-coumarate--CoA ligase 2; 4CL 2; 4-coumarate--CoA ligase isoform 2; At4CL2; 4-coumaroyl-CoA synthase 2; Caffeate--CoA ligase; EC 6.2.1.12; EC 6.2.1.- from Arabidopsis thaliana (Mouse-ear cress) (see 3 papers)
30% identity, 97% coverage: 7:539/549 of query aligns to 37:547/556 of Q9S725

query
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Q9S725

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K211 (= K209) mutation to S: Drastically reduces the activity.
M293 (≠ Y287) mutation M->A,P: Affects the substrate specificity.
K320 (≠ I314) mutation K->L,A: Affects the substrate specificity.
E401 (= E393) mutation to Q: Slighlty reduces the substrate specificity.
C403 (= C395) mutation to A: Significantly reduces the substrate specificity.
R449 (= R441) mutation to Q: Drastically reduces the activity.
K457 (≠ G449) mutation to S: Drastically reduces the activity.
K540 (= K532) mutation to N: Abolishes the activity.

5bsmA Crystal structure of 4-coumarate:coa ligase complexed with magnesium and adenosine triphosphate (see paper)
32% identity, 91% coverage: 38:539/549 of query aligns to 46:526/530 of 5bsmA

query
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5bsmA

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&nb