SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_024890360.1 NCBI__GCF_000559025.1:WP_024890360.1 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)

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)
60% identity, 98% coverage: 7:558/562 of query aligns to 5:555/561 of P69451

query
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P69451

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Y213 (= Y215) mutation to A: Loss of activity.
T214 (= T216) mutation to A: 10% of wild-type activity.
G216 (= G218) mutation to A: Decreases activity.
T217 (= T219) mutation to A: Decreases activity.
G219 (= G221) mutation to A: Decreases activity.
K222 (= K224) mutation to A: Decreases activity.
E361 (= E363) mutation to A: Loss of activity.

8wevA Crystal structure of feruoyl-coa synthetase complexed with amp from amycolatopsis thermoflava
34% identity, 91% coverage: 43:553/562 of query aligns to 22:484/486 of 8wevA

query
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8wevA

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binding adenosine monophosphate: G267 (= G336), A268 (≠ M337), Y289 (= Y359), G290 (= G360), M291 (≠ L361), T292 (= T362), D371 (= D441), R386 (= R456)
binding magnesium ion: R24 (≠ S45), R186 (≠ T254)

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)
31% identity, 91% coverage: 44:556/562 of query aligns to 58:573/590 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

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)
30% identity, 91% coverage: 51:561/562 of query aligns to 30:502/503 of P9WQ37

query
sites
P9WQ37

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K172 (= K224) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Slight increase of susceptibility to proteolysis.
R195 (≠ P250) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.
R197 (≠ E252) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-195 and A-244.
V209 (≠ I264) 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 (= A266) mutation to G: Slight increase of the fatty acyl-CoA ligase activity. Reduced rate of proteolytic degradation.
T214 (≠ A269) 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 (= R301) mutation to A: Alteration of the strength of the membrane binding; when associated with A-17; A-195; A-195 and A-197.
A302 (≠ G360) 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 (= W436) 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 (= D441) 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 (= R456) mutation to A: Reduction of binding affinity for fatty acids.
S404 (≠ V463) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Enhanced affinity towards palmitic acid binding.
G406 (= G465) mutation to L: No effect on the formation of acyl-adenylate intermediate. However, it shows very poor catalytic efficiency to form acyl-CoA.
K487 (= K546) 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.

Q84P21 Peroxisomal OPC-8:0-CoA ligase 1; 4-coumarate--CoA ligase isoform 9; At4CL9; 4-coumarate--CoA ligase-like 5; EC 6.2.1.- from Arabidopsis thaliana (Mouse-ear cress) (see paper)
28% identity, 95% coverage: 25:560/562 of query aligns to 30:544/546 of Q84P21

query
sites
Q84P21

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G

G

L

K

P

L

I

S

P

A

S

S

T

M

D

E

A

G

-

R

C

I

I

V

K

D

S

P

E

V

D

T

G

G

R

Q

M

I

L

L

P

G

V

P

G

K

E

Q

V

T

G

G

E

E

L

L

C

W

I

L

K

K

G

G

P

P

Q

S

V

I

M

M

P

K

G

G

Y

Y

W

F

Q

S

R

N

P

E

E

E

E

A

T

T

A

S

K

S

A

T

I

L

D

D

A

S

E

E

G

G

W

W

L

L

H

R

T

T

G

G

D

D

M

L

A

C

R

Y

M

I

D

D

E

E

Q

D

G

G

F

F

F

I

Y

F

V

V

D

D

R

R

K

L

K

K

D

E

M

L

I

I

L

K

V

Y

S

K

G

G

F

Y

N

Q

V

V

Y

A

P

P

N

A

E

E

V

L

E

E

D

A

V

L

I

L

A

L

M

T

M

H

P

P

G

E

V

I

L

T

E

D

V

A

A

A

A

V

V

I

G

P

V

F

P

P

D

D

E

K

K

E

S

V

G

G

E

Q

V

F

V

P

K

M

V

A

F

Y

I

V

V

V

K

R

K

K

D

T

-

G

P

S

S

S

L

L

T

S

E

E

A

K

Q

T

V

I

K

M

A

E

Y

F

A

V

R

A

E

K

N

Q

L

V

T

A

G

P

Y

Y

K

K

Q

R

P

I

R

R

H

K

V

V

E

A

F

F

R

V

K

S

E

S

L

I

P

P

K

K

T

N

N

P

V

S

G

G

K
|
K

I

I

L

L

R

R

R

K

E

D

L

L

K

I

E

K

E

I

A

A

R

T

A

S

S

N

S

S

K530 (= K546) mutation to N: Lossed enzymatic 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)
29% identity, 97% coverage: 20:562/562 of query aligns to 34:542/542 of O24146

query
sites
O24146

D

N

V

I

D

S

E

E

F

F

P

S

S

S

I

R

P

P

A

C

V

L

L

I

Q

N

G

G

A

A

I

N

E

K

K

Q

F

I

R

Y

D

-

R

-

A

-

F

-

S

-

N

-

M

-

G

-

K

-

A

-

I

-

T

T

Y

Y

A

A

E

D

L

V

D

E

E

L

A

N

S

S

R

R

Q

K

F

V

A

A

Y

G

L

L

L

H

G

K

E

Q

L

-

K

G

L

I

K

Q

K

P

G

K

D

D

R

T

V

I

A

M

I

I

M

L

P

P

N

N

C

S

L

P

Q

E

Y

F

P

V

I

F

A

A

T

F

F

I

G

G

I

A

L

S

R

Y

A

L

G

G

L

A

V

I

V

S

V

T

N

M

V

A

N

N

P

P

M

L

Y

F

T

T

V

P

R

A

E

E

F

V

K

V

H

K

Q

Q

M

A

A

K

D

A

S

S

G

S

T

A

T

K

A

I

I

I

L

V

V

T

L

Q

D

A

N

C

F

H

A

V

H

N

T

K

V

V

Q

K

K

-

A

-

L

-

P

-

D

D

T

Y

A

A

I

F

R

E

H

N

V

-

I

-

T

-

G

-

L

-

G

-

D

-

L

-

G

-

F

-

P

-

K

-

G

-

P

-

I

-

V

-

N

-

F

-

V

-

L

-

K

-

H

D

V

V

K

K

K

I

M

I

V

C

P

I

D

D

Y

S

D

A

I

P

P

E

G

G

A

C

V

L

R

H

F

F

R

-

D

S

A

V

L

L

A

T

A

Q

G

A

R

N

R

E

H

H

P

D

L

I

P

P

E

E

V

V

A

E

I

I

D

Q

A

P

Q

D

D

D

I

V

A

V

F

A

L

L

Q

P

Y

Y

T
x
S

G
x
S

G
|
G

T
|
T

G

G

V

L

A

P

K
|
K

G

G

A

V

I

M

L

L

T

T

H

H

R

K

N

G

L

L

V

V

A

T

N

S

M

V

-

A

Q

Q

A

V

S

D

A

G

W

E

I

N

G

P

Q

N

V

L

V

Y

R

I

P

H

G

S

E

E

E

D

T

V

I

M

V

L

T

C

A

V

L

L

P

P

L

L

Y

F

H
|
H

I

I

F
x
Y

A

S

L

L

T

N

A
x
S

N

V

G

L

L

L

V

C

F

G

M

L

K

R

L

V

G

G

G

A

K

A

N

-

L

I

L

L

I

I

T

M

N

Q

P
x
K

R

F

D

D

M

I

P

V

G

S

F

F

V

L

K

E

E

L

L

I

N

Q

R

R

E

Y

R

K

F

V

T

T

A

I

I

G

T

P

G

F

V

V

N

P

T

P

L

I

F

V

N

L

G

A

L

I

L

A

N

K

T

S

P

P

G

M

F

V

D

D

R

D

V

Y

D

D

F

L

S

S

L

V

R

R

L

T

T

V

L

M

G

S

G

G

G
x
A

M

A

A

P

V

L

Q

G

R

K

A

E

V

L

A

E

E

D

R

T

W

V

K

R

-

A

Q

K

V

F

T

P

G

N

C

A

T

K

L

L

I

G

E
x
Q

A
x
G

Y

Y

G

G

L

M

T
|
T

E

E

T

A

S

G

P

P

-
x
V

-

L

A

A

A
x
M

C

C

I

L

-

A

-

F

-

A

-

K

N

E

P

P

M

F

T

E

L

I

A

K

E

-

Y

-

N

S

G

G

S

A

I

C

G

G

L

T

P

V

I

V

P

R

S

N

T

A

D

E

-

M

A

K

C

I

I

V

K

D

S

P

E

K

D

T

G

G

R

N

M

S

L

L

P

P

V

R

G

N

E

Q

V

S

G

G

E

E

L

I

C

C

I

I

K

R

G

G

P

D

Q

Q

V

I

M

M

P

K

G

G

Y

Y

W

L

Q

N

R

D

P

P

E

E

E

A

T

T

A

A

K

R

A

T

I

I

D

D

A

K

E

E

G

G

W

W

L

L

H

Y

T

T

G

G

D
|
D

M

I

A

G

R

Y

M

I

D

D

E

D

Q

D

G

D

F

E

F

L

Y

F

V

I

V

V

D

D

R
|
R

K

L

K
|
K

D

E

M

L

I

I

L
x
K

V

Y

S
x
K

G
|
G

F

F

N
x
Q

V

V

Y

A

P

P

N

A

E

E

V

L

E

E

D

A

V

L

I

L

A

L

M

N

M

H

P

P

G

N

V

I

L

S

E

D

V

A

A

A

A

V

V

V

G

P

V

M

P

K

D

D

E

E

K

Q

S

A

G

G

E

E

V

V

V

P

K

V

V

A

F

F

I

V

V

V

K

R

K

S

D

N

P

G

S

S

-

T

L

I

T

T

E

E

A

D

Q

E

V

V

K

K

A

D

Y

F

A

I

R

S

E

K

N

Q

L

V

T

I

G

F

Y

Y

K

K

Q

R

P

I

R

K

H

R

V

V

E

F

F

F

R

V

K

D

E

A

L

I

P

P

K

K

T

S

N

P

V

S

G

G

K
|
K

I

I

L

L

R

R

R

K

E

D

L

L

K

R

E

A

E

K

A

L

R

A

A

A

S

G

S

L

P

P

G

N

S189 (≠ T216) binding ATP
S190 (≠ G217) binding ATP
G191 (= G218) binding ATP
T192 (= T219) binding ATP
T193 (= T220) binding ATP; mutation to A: Reduced activity against 4-coumarate.
K197 (= K224) binding ATP; mutation to A: Reduced activity against 4-coumarate.
H237 (= H263) mutation to A: Strongly reduced activity against 4-coumarate.
Y239 (≠ F265) 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 (≠ A269) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP
K260 (≠ P287) binding CoA
A309 (≠ G336) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP
Q331 (≠ E357) binding ATP
G332 (≠ A358) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP; binding ATP
T336 (= T362) 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 (≠ A368) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; mutation to A: Reduced activity against 4-coumarate.
D420 (= D441) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP; binding ATP
R435 (= R456) 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 (= K458) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP
K441 (≠ L462) binding (E)-4-coumaroyl-AMP; binding (E)-caffeoyl-AMP; binding (E)-feruloyl-AMP; binding AMP; mutation to A: Abolished activity against 4-coumarate.
K443 (≠ S464) binding CoA; mutation to A: Normal activity against 4-coumarate.
G444 (= G465) binding CoA
Q446 (≠ N467) binding AMP
K526 (= K546) binding ATP; mutation to A: Abolished activity against 4-coumarate.

3r44A Mycobacterium tuberculosis fatty acyl coa synthetase (see paper)
29% identity, 91% coverage: 51:561/562 of query aligns to 33:502/502 of 3r44A

query
sites
3r44A

I

M

T

T

Y

Y

A

A

E

Q

L

M

D

N

E

A

A

L

S

A

R

N

Q

R

F

-

A

C

A

A

Y

D

L

V

L

L

G

T

E

A

L

L

K

G

L

I

K

A

K

K

G

G

D

D

R

R

V

V

A

A

I

L

M

L

M

M

P

P

N

N

C

S

L

V

Q

E

Y

F

P

C

I

C

A

L

T

F

F

Y

G

G

I

A

L

A

R

K

A

L

G

G

L

A

V

V

V

A

V

V

N

P

V

I

N

N

P

T

M

R

Y

L

T

A

V

A

R

P

E

E

F

V

K

S

H

F

Q

I

M

L

A

S

D

D

S

S

G

G

T

S

T

K

A

V

I

V

L

I

V

-

L

-

D

-

N

-

F

-

A

-

H

-

T

-

V

-

Q

-

K

-

A

-

L

-

P

-

D

-

T

-

A

-

I

-

R

-

H

-

V

-

I

-

T

-

G

-

L

-

G

-

D

-

L

-

L

Y

G

G

F

A

P

P

K

S

G

A

P

P

I

V

V

I

N

D

F

A

V

I

L

R

K

A

H

Q

V

A

K

-

M

-

V

-

P

-

D

-

Y

-

D

D

I

P

P

P

G

G

A

T

V

V

R

T

-

D

-

W

-

I

F

G

R

A

D

D

A

S

L

L

A

A

A

E

G

R

R

L

R

R

H

S

P

A

L

A

-

A

-

D

-

E

P

P

E

A

V

V

A

E

I

C

D

G

A

G

Q

D

D

D

I

N

A

L

F

F

L

I

Q

M

Y

Y

T
|
T

G

-

T

-

T

S

G

G

V

H

A

P

K

K

G

G

A

V

I

V

L

H

T

T

H

H

R
x
E

N

S

L

V

V

-

A

-

N

-

M
x
H

Q

S

Q
x
A

A

A

S

S

A

S

W

W

I

A

G

S

Q

T

V

I

V

D

R

V

P

R

G

Y

E

R

E

D

T

R

I

L

V

L

T

L

A

P

L

L

P

P

L

M

Y

F

H
|
H

I

V

F

A

A

A

L

L

T

T

A

T

N

-

G

-

L

V

V

I

F

F

M

S

K

A

L

M

G

R

G

G

K

V

N

T

L

L

L

I

I

S

T

M

N

P

P

Q

R

F

D

D

M

A

P

T

G

K

F

V

V

W

K

S

E

L

L

I

N

V

R

E

E

E

R

R

F

V

T

C

A

I

I

G

T

G

G

A

V

V

N

P

T

A

L

I

F

L

N

N

G

F

L

M

L

R

N

Q

T

V

P

P

G

E

F

F

D

A

R

E

V

L

D

D

F

A

S

P

S

D

L

F

R

R

L

Y

T

F

L

I

G

T

G

G

M

A

A

P

V

M

Q

P

R

E

A

A

V

L

A

I

E

K

R

I

W

Y

K

A

Q

-

V

A

T

K

G

N

C

I

T

E

L

V

I

V

E

Q

A

G

Y

Y

G

A

L

L

T
|
T

E
|
E

T

S

S

C

P

G

A

G

C

T

I

-

N

-

P

-

M

L

T

L

L

L

A

S

E

E

-

D

-

A

-

L

-

R

Y

K

N

A

G

G

S

S

I

A

G

G

L

R

P

A

I

T

P

M

S

F

T

T

D

D

A

V

C

A

I

V

K

R

S

G

E

D

D

D

G

G

R

V

M

I

L

R

P

E

V

H

G

G

E

E

V

-

G

G

E

E

L

V

C

V

I

I

K

K

G

S

P

D

Q

I

V

L

M

L

P

K

G

E

Y

Y

W

W

Q

N

R

R

P

P

E

E

E

A

T

T

A

R

K

D

A

A

I

F

D

D

A

-

E

N

G

G

W

W

L

F

H

R

T

T

G

G

D

D

M

I

A

G

R

E

M

I

D

D

E

D

Q

E

G

G

F

Y

F

L

Y

Y

V

I

V

K

D

D

R

R

K

L

K

K

D

D

M

M

I

I

L
x
I

V

S

S

G

G

G

F

E

N
|
N

V

V

Y

Y

P

P

N

A

E

E

V

I

E

E

D

S

V

V

I

I

A

I

M

G

M

V

P

P

G

G

V

V

L

S

E

E

V

V

A

A

A

V

V

I

G

G

V

L

P

P

D

D

E

E

K

K

S

W

G

G

E

E

V

I

V

A

K

A

V

A

F

I

I

V

V

V

K

A

K

D

D

Q

P

N

S

E

L

V

T

S

E

E

A

Q

Q

Q

V

I

K

V

A

E

Y

Y

A

C

R

G

E

T

N

R

L

L

T

A

G

R

Y

Y

K

K

Q

L

P

P

R

K

H

K

V

V

E

I

F

F

R

A

K

E

E

A

L

I

P

P

K

R

T

N

N

P

V

T

G

G

K
|
K

I

I

L

L

R

K

R

T

E

V

L

L

K

R

E

E

E

Q

A

Y

R

S

A

A

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T

S

V

P

P

active site: T167 (= T216), A184 (≠ Q239), H208 (= H263), T304 (= T362), E305 (= E363), I403 (≠ L462), N408 (= N467), K487 (= K546)
binding histidine: E179 (≠ R231), H182 (≠ M237)

Sites not aligning to the query:

binding histidine: 5

5bsvA Crystal structure of 4-coumarate:coa ligase complexed with feruloyl adenylate (see paper)
29% identity, 95% coverage: 20:553/562 of query aligns to 27:526/529 of 5bsvA

query
sites
5bsvA

D

N

V

I

D

S

E

E

F

F

P

S

S

S

I

R

P

P

A

C

V

L

L

I

Q

N

G

G

A

A

I

N

E

K

K

Q

F

I

R

Y

D

-

R

-

A

-

F

-

S

-

N

-

M

-

G

-

K

-

A

-

I

-

T

T

Y

Y

A

A

E

D

L

V

D

E

E

L

A

N

S

S

R

R

Q

K

F

V

A

A

Y

G

L

L

L

H

G

K

E

Q

L

-

K

G

L

I

K

Q

K

P

G

K

D

D

R

T

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I

A

M

I

I

M

L

P

P

N

N

C

S

L

P

Q

E

Y

F

P

V

I

F

A

A

T

F

F

I

G

G

I

A

L

S

R

Y

A

L

G

G

L

A

V

I

V

S

V

T

N

M

V

A

N

N

P

P

M

L

Y

F

T

T

V

P

R

A

E

E

F

V

K

V

H

K

Q

Q

M

A

A

K

D

A

S

S

G

S

T

A

T

K

A

I

I

I

L

V

V

T

L

Q

D

A

N

C

F

H

A

V

H

N

T

K

V

V

Q

K

K

-

A

-

L

-

P

-

D

D

T

Y

A

A

I

F

R

E

H

N

V

-

I

-

T

-

G

-

L

-

G

-

D

-

L

-

G

-

F

-

P

-

K

-

G

-

P

-

I

-

V

-

N

-

F

-

V

-

L

-

K

-

H

D

V

V

K

K

K

I

M

I

V

C

P

I

D

D

Y

S

D

A

I

P

P

E

G

G

A

C

V

L

R

H

F

F

R

-

D

S

A

V

L

L

A

T

A

Q

G

A

R

N

R

E

H

H

P

D

L

I

P

P

E

E

V

V

A

E

I

I

D

Q

A

P

Q

D

D

D

I

V

A

V

F

A

L

L

Q

P

Y

Y

T
x
S

G

S

G

G

T

T

G

G

V

L

A

P

K

K

G

G

A

V

I

M

L

L

T

T

H

H

R

K

N

G

L

L

V

V

A

T

N
x
S

M

V

-

A

Q

Q

A

V

S

D

A

G

W

E

I

N

G

P

Q

N

V

L

V

Y

R

I

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H

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S

E

E

E

D

T

V

I

M

V

L

T

C

A

V

L

L

P

P

L

L

Y

F

H
|
H

I

I

F
x
Y

A

S

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A
x
S

N

V

G

L

L

L

V

C

F

G

M

L

K

R

L

V

G

G

G

A

K

A

N

-

L

I

L

L

I

I

T

M

N

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P

K

R

F

D

D

M

I

P

V

G

S

F

F

V

L

K

E

E

L

L

I

N

Q

R

R

E

Y

R

K

F

V

T

T

A

I

I

G

T

P

G

F

V

V

N

P

T

P

L

I

F

V

N

L

G

A

L

I

L

A

N

K

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S

P

P

G

M

F

V

D

D

R

D

V

Y

D

D

F

L

S

S

L

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R

L

T

T

V

L

M

G

S

G

G

G
x
A

M
x
A

A
x
P

V

L

Q

G

R

K

A

E

V

L

A

E

E

D

R

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W

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R

-

A

Q

K

V

F

T

P

G

N

C

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L

L

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E

Q

A
x
G

Y

Y

G
|
G

L
x
M

T
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T

E
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E

T

A

S

G

P
|
P

-
x
V

-

L

A

A

A

M

C

C

I

L

-

A

-

F

-

A

-

K

N

E

P

P

M

F

T

E

L

I

A

K

E

-

Y

-

N

S

G

G

S

A

I

C

G

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R

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N

T

A

D

E

-

M

A

K

C

I

I

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P

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K

D

T

G

G

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N

M

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L

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P

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S

G

G

E

E

L

I

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P

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E

A

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A

A

K

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A

T

I

I

D

D

A

K

E

E

G

G

W

W

L

L

H

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T

T

G

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D
|
D

M

I

A

G

R

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M

I

D

D

E

D

Q

D

G

D

F

E

F

L

Y

F

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V

D

D

R

R

K

L

K
|
K

D

E

M

L

I

I

L
x
K

V

Y

S

K

G

G

F

F

N
x
Q

V

V

Y

A

P

P

N

A

E

E

V

L

E

E

D

A

V

L

I

L

A

L

M

N

M

H

P

P

G

N

V

I

L

S

E

D

V

A

A

A

A

V

V

V

G

P

V

M

P

K

D

D

E

E

K

Q

S

A

G

G

E

E

V

V

V

P

K

V

V

A

F

F

I

V

V

V

K

R

K

S

D

N

P

G

S

S

-

T

L

I

T

T

E

E

A

D

Q

E

V

V

K

K

A

D

Y

F

A

I

R

S

E

K

N

Q

L

V

T

I

G

F

Y

Y

K

K

Q

R

P

I

R

K

H

R

V

V

E

F

F

F

R

V

K

D

E

A

L

I

P

P

K

K

T

S

N

P

V

S

G

G

K
|
K

I

I

L

L

R

R

R

K

E

D

L

L

K

R

active site: S182 (≠ T216), S202 (≠ N236), H230 (= H263), T329 (= T362), E330 (= E363), K434 (≠ L462), Q439 (≠ N467), K519 (= K546)
binding 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine: H230 (= H263), Y232 (≠ F265), S236 (≠ A269), A302 (≠ G336), A303 (≠ M337), P304 (≠ A338), G325 (≠ A358), G327 (= G360), M328 (≠ L361), T329 (= T362), P333 (= P366), V334 (vs. gap), D413 (= D441), K430 (= K458), K434 (≠ L462), Q439 (≠ N467)

5bsuA Crystal structure of 4-coumarate:coa ligase complexed with caffeoyl adenylate (see paper)
29% identity, 95% coverage: 20:553/562 of query aligns to 27:526/529 of 5bsuA

query
sites
5bsuA

D

N

V

I

D

S

E

E

F

F

P

S

S

S

I

R

P

P

A

C

V

L

L

I

Q

N

G

G

A

A

I

N

E

K

K

Q

F

I

R

Y

D

-

R

-

A

-

F

-

S

-

N

-

M

-

G

-

K

-

A

-

I

-

T

T

Y

Y

A

A

E

D

L

V

D

E

E

L

A

N

S

S

R

R

Q

K

F

V

A

A

Y

G

L

L

L

H

G

K

E

Q

L

-

K

G

L

I

K

Q

K

P

G

K

D

D

R

T

V

I

A

M

I

I

M

L

P

P

N

N

C

S

L

P

Q

E

Y

F

P

V

I

F

A

A

T

F

F

I

G

G

I

A

L

S

R

Y

A

L

G

G

L

A

V

I

V

S

V

T

N

M

V

A

N

N

P

P

M

L

Y

F

T

T

V

P

R

A

E

E

F

V

K

V

H

K

Q

Q

M

A

A

K

D

A

S

S

G

S

T

A

T

K

A

I

I

I

L

V

V

T

L

Q

D

A

N

C

F

H

A

V

H

N

T

K

V

V

Q

K

K

-

A

-

L

-

P

-

D

D

T

Y

A

A

I

F

R

E

H

N

V

-

I

-

T

-

G

-

L

-

G

-

D

-

L

-

G

-

F

-

P

-

K

-

G

-

P

-

I

-

V

-

N

-

F

-

V

-

L

-

K

-

H

D

V

V

K

K

K

I

M

I

V

C

P

I

D

D

Y

S

D

A

I

P

P

E

G

G

A

C

V

L

R

H

F

F

R

-

D

S

A

V

L

L

A

T

A

Q

G

A

R

N

R

E

H

H

P

D

L

I

P

P

E

E

V

V

A

E

I

I

D

Q

A

P

Q

D

D

D

I

V

A

V

F

A

L

L

Q

P

Y

Y

T
x
S

G

S

G

G

T

T

G

G

V

L

A

P

K

K

G

G

A

V

I

M

L

L

T

T

H

H

R

K

N

G

L

L

V

V

A

T

N
x
S

M

V

-

A

Q

Q

A

V

S

D

A

G

W

E

I

N

G

P

Q

N

V

L

V

Y

R

I

P

H

G

S

E

E

E

D

T

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I

M

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A

V

L

L

P

P

L

L

Y

F

H
|
H

I

I

F
x
Y

A

S

L

L

T

N

A
x
S

N

V

G

L

L

L

V

C

F

G

M

L

K

R

L

V

G

G

G

A

K

A

N

-

L

I

L

L

I

I

T

M

N

Q

P

K

R

F

D

D

M

I

P

V

G

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F

F

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E

E

L

L

I

N

Q

R

R

E

Y

R

K

F

V

T

T

A

I

I

G

T

P

G

F

V

V

N

P

T

P

L

I

F

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N

L

G

A

L

I

L

A

N

K

T

S

P

P

G

M

F

V

D

D

R

D

V

Y

D

D

F

L

S

S

L

V

R

R

L

T

T

V

L
x
M

G

S

G

G

G
x
A

M
x
A

A
x
P

V

L

Q

G

R

K

A

E

V

L

A

E

E

D

R

T