SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_109969162.1 NCBI__GCF_003173355.1:WP_109969162.1 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, 97% coverage: 5:560/571 of query aligns to 18:577/590 of Q4WR83

query
sites
Q4WR83

K

K

A

A

P

P

E

Q

L

L

-

L

S

S

Y

I

S

V

C

E

G

G

T

P

A

T

D

Q

F

P

P

E

L

L

M

L

G

D

A

I

T

T

I

L

G

G

E

E

M

L

L

L

D

T

Q

L

V

Q

C

S

A

L

R

Q

Q

Y

P

G

D

D

V

Y

E

E

A

C

L

L

V

V

A

F

P

P

F

W

Q

T

N

G

V

A

R

R

L

W

T

T

Y

Y

R

T

Q

D

F

L

R

K

N

D

E

E

V

A

D

D

R

R

I

V

A

A

R

R

G

G

L

L

M

L

A

A

M

M

D

G

I

I

N

Q

K

K

G

G

D

D

R

R

V

I

G

G

I

I

W

M

A

A

M

G

N

N

Y

C

A

E

E

Q

W

Y

T

I

M

S

V

V

Q

F

F

F

A

A

T

A

A

A

K

R

I

V

G

G

A

A

I

I

M

L

V

V

N

V

I

L

N

N

P

N

A

T

Y

Y

R

T

T

P

F

S

E

E

L

L

D

Y

Y

Y

C

A

L

L

K

G

Q

H

S

T

E

D

V

C

K

R

L

L

I

F

L

L

Q

T

G

P

R

R

F

I

K

G

T

R

S

H

D

S

Y

L

V

E

G

E

M

V

F

L

Y

A

E

K

A

L

C

G

P

P

E

R

A

P

Y

K

E

E

S

Q

R

G

P

T

G

S

R

S

L

A

L

L

S

E

E

E

K

-

F

-

P

-

F

-

L

-

K

-

T

I

I

I

F

L

M

R

G

G

E

Q

I

-

P

-

Y

Y

N

S

G

G

M

F

Y

S

S

T

W

Y

S

E

E

H

L

V

L

I

R

Q

R

R

G

G

E

L

S

P

I

L

S

P

P

S

E

H

E

A

L

L

E

Q

E

D

R

R

A

E

A

A

S

E

L

L

T

H

F

S

D

T

D

D

P

V

I

C

N

N

I

L

Q

Q

Y

F

T

T

S

S

G

G

T

S

T

T

G

G

Y

N

P

P

K

K

G

A

V

A

V

M

L

L

T

T

H

H

G

N

V

L

M

V

N

N

G

S

Y

R

M

F

I

I

G

G

K

D

G

R

M

M

G

N

F

L

T

T

E

S

K

F

D

D

R

I

L

L

C

C

I

C

P

P

V

P

P

P

F

L

Y

F

H

H

C

C

F

F

G

G

M

L

V

V

L

L

S

G

N

M

M

L

A

A

C

V

A

V

T

T

N

H

G

G

A

S

T

K

M

I

V

I

I

F

P

P

A

S

P

E

T

T

F

F

D

D

P

P

E

T

E

A

V

V

L

L

K

H

T

A

I

I

E

S

A

D

E

E

R

K

C

C

T

T

A

A

V

L

H

H

G

G

V

V

P

P

T

T

M

M

F

F

I

E

A

A

E

I

L

L

R

S

H

L

P

P

D

K

F

P

A

P

K

N

Y

F

D

D

L

C

R

S

S

N

L

L

R

R

T

T

G

G

I

I

M

I

A

A

G

G

S

A

P

P

C

V

P

P

I

R

E

P

V

L

M

M

K

K

E

R

V

L

A

L

T

E

K

E

M

L

H

N

M

M

S

T

E

E

V

Y

V

T

I

S

V

S

Y

Y

G

G

Q

L

T

T

E

E

T

A

S

S

P

P

G

T

V

C

T

F

M

N

T

A

T

L

T

T

K

T

D

D

P

S

L

I

E

E

K

R

R

R

V

L

T

T

V

V

G

G

R

K

V

V

F

M

P

P

H

H

T

A

E

K

L

A

K

K

I

I

V

I

D

D

P

T

E

Q

T

-

K

G

K

H

I

I

V

V

P

P

K

I

G

G

E

Q

I

R

G

G

E

E

I

L

C

C

A

I

R

A

G

G

Y

Y

M

Q

A

L

M

T

R

K

C

G

Y

Y

Y

W

N

N

P

P

-

E

-

K

T

T

A

A

T

E

R

A

Q

L

T

I

K

T

D

D

E

S

N

D

G

G

-

V

-

T

W

W

I

L

H

K

T

T

G

G

D

D

L

E

G

A

S

I

F

F

D

D

Q

E

E

E

E

G

F

Y

V

C

H

S

I

I

E

T

G

G

R

R

L

F

K

K

D

D

M

I

V

I

I

I

R

R

G

G

E

E

N

N

I

I

Y

Y

P

P

R

L

E

E

I

I

E

E

F

R

L

L

H

A

Q

A

H

H

P

P

K

A

I

I

A

E

D

V

V

A

Y

S

V

V

I

I

G

G

V

I

P

P

D

D

E

Q

K

K

Y

Y

G

G

E

E

E

V

L

V

M

G

A

A

W

F

I

L

V

A

L

L

E

A

K

A

D

D

A

V

T

S

L

A

-

R

-

P

T

S

E

D

Q

E

D

E

V

L

R

R

D

A

H

W

C

T

T

R

G

E

K

T

I

L

A

G

R

R

Y

H

K

K

I

A

P

P

R

Q

Y

Y

I

F

S

-

F

F

V

V

-

F

-

G

-

E

-

G

-

V

-

D

E

R

S

T

V

I

P

P

M

V

S

T

V

G

T

S

G

G

K

K

I

V

Q

R

K

K

F

V

K

D

M

L

K

R

E

K

M

I

A

A

I

A

E

S

M

V

L

L

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)
34% identity, 93% coverage: 24:554/571 of query aligns to 3:495/503 of P9WQ37

query
sites
P9WQ37

T

N

I

I

G

G

E

W

M

M

L

L

D
x
R

Q

Q

V

R

C

A

A

T

R

V

Q

S

P

P

D
x
R

V

L

E

Q

A

A

L

Y

V

V

A

E

P

P

F

S

Q

T

N

D

V

V

R

R

L

M

T

T

Y

Y

R

A

Q

Q

F

M

R

N

N

A

E

L

V

A

D

N

R

R

I

C

A

A

R

D

G

V

L

L

M

T

A

A

M

L

D

G

I

I

N

A

K

K

G

G

D

D

R

R

V

V

G

A

I

L

W

L

A

M

M

P

N

N

Y

S

A

V

E

E

W

F

T

C

M

C

V

L

Q

F

F

Y

A

G

T

A

A

A

K

K

I

L

G

G

A

A

I

V

M

A

V

V

N

P

I

I

N

N

P

T

A

R

Y

L

R

A

T

A

F

P

E

E

L

V

D

S

Y

F

C

I

L

L

K

S

Q

D

S

S

E

G

V

S

K

K

L

V

I

I

L

Y

Q

-

G

-

R

-

F

-

K

-

T

-

S

-

D

-

Y

-

V

-

G

-

M

-

F

-

Y

-

E

-

A

G

C

A

P

P

E

S

A

A

Y

-

E

-

S

-

R

-

P

-

G

-

R

-

L

-

S

-

E

-

K

-

F

-

P

P

F

V

L

I

K

D

T

A

I

I

I

R

F

A

M

Q

G

A

E

D

I

P

P

P

-

G

-

T

-

V

-

T

-

D

Y

W

N

I

G

G

M

A

Y

D

S

S

W

L

S

A

E

E

L

R

L

L

R

R

R

S

G

A

E

A

S

A

I

-

S

-

P

-

E

-

L

-

E

D

E

E

R

P

A

A

A

V

S

E

L

C

T

G

F

G

D

D

P

N

I

L

N

F

I

I

Q

M

Y

Y

T

T

S

S

G

G

T

T

G

G

Y

H

P

P

K
|
K

G

G

V

V

L

H

T

T

H

H

H

E

G

S

V

V

M

H

N

S

N

A

G

A

Y

S

M

S

I

W

G

A

K

S

G

T

M

I

G

D

F

V

T
x
R

E

Y

K
x
R

D

D

R

R

L

L

C

L

I

L

P

P

V

L

P

P

F

M

Y

F

H

H

C
x
V

F

A

G
x
A

M

L

V

T

L

-

S
x
T

N

V

M

I

A

F

C

S

A

A

T

M

N

R

G

G

A

V

T

T

M

L

V

-

I

I

P

S

A

M

P

P

T

Q

F

F

D

D

P

A

E

T

E

K

V

V

L

W

K

S

T

L

I

I

E

V

A

E

E

E

R
|
R

C

V

T

C

A

I

V

G

H

G

G

A

V

V

P

P

T

A

M

I

F

L

I

N

A

F

E

M

L

R

R

Q

H

V

P

P

D

E

F

F

A

A

K

E

Y

L

D

D

L

A

R

P

S

D

L

F

R

R

T

Y

G

F

I

I

M

T

A

G

G

G

S

A

P

P

C

M

P

P

I

E

E

A

V

L

M

I

K

K

E

I

V

Y

A

A

T

A

K

K

M

N

H

-

M

-

S

I

E

E

V

V

I

Q

V

G

Y

Y

G
x
A

Q

L

T

T

E

E

T

S

S

C

P

G

G

G

V

G

T

T

M

L

T

L

T

S

K

E

D

D

P

A

L

L

E

R

K

K

R

-

V

A

T

G

T

S

V

A

G

G

R

R

V

A

F

T

P

M

H

F

T

T

E

D

L

V

K

A

I

-

V

V

D

R

P

G

E

D

T

D

K

G

K

V

I

I

V

R

P

E

K

H

G

G

E

E

I

-

G

G

E

E

I

V

C

V

A

I

R

K

G

S

Y

D

M

I

A

L

M

L

R

K

C

E

Y

Y

Y

W

N

N

N

R

P

P

T

E

A

A

T

T

R

R

Q

D

T

A

K

F

D

D

E

-

N

N

G

G

W
|
W

I

F

H

R

T

T

G

G

D
|
D

L

I

G

G

S

E

F

I

D

D

Q

D

E

E

E

G

F

Y

V

L

H

Y

I

I

E

K

G

D

R
|
R

L

L

K

K

D

D

M

M

V

I

I

I

R
x
S

G

G

G
|
G

E

E

N

N

I

V

Y

Y

P

P

R

A

E

E

I

I

E

E

E

S

F

V

L

I

H

I

Q

G

H

V

P

P

K

G

I

V

A

S

D

E

V

V

Y

A

V

V

I

I

G

G

V

L

P

P

D

D

E

E

K

K

Y

W

G

G

E

-

E

E

L

I

M

A

A

A

W

A

I

I

V

V

L

V

E

A

K

D

D

Q

A

N

T

E

L

V

T

S

E

E

Q

Q

D

Q

V

I

R

V

D

E

H

Y

C

C

T

G

G

T

K

R

I

L

A

A

R

R

Y

Y

K

K

I

L

P

P

R

K

Y

K

I

V

S

I

F

F

V

A

E

E

S

A

V

I

P

P

M

R

S

N

V

P

T

T

G

G

K
|
K

I

I

Q

L

K

K

F

T

K

V

M

L

K

R

E

E

R9 (≠ D30) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-195; A-197 and A-244.
R17 (≠ D38) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.
K172 (= K222) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Slight increase of susceptibility to proteolysis.
R195 (≠ T245) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.
R197 (≠ K247) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-195 and A-244.
V209 (≠ C259) 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 (≠ G261) mutation to G: Slight increase of the fatty acyl-CoA ligase activity. Reduced rate of proteolytic degradation.
T214 (≠ S265) 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 (= R296) mutation to A: Alteration of the strength of the membrane binding; when associated with A-17; A-195; A-195 and A-197.
A302 (≠ G356) 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 (= W435) 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 (= D440) 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 (= R455) mutation to A: Reduction of binding affinity for fatty acids.
S404 (≠ R462) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Enhanced affinity towards palmitic acid binding.
G406 (= G464) 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.

3r44A Mycobacterium tuberculosis fatty acyl coa synthetase (see paper)
33% identity, 93% coverage: 24:554/571 of query aligns to 6:495/502 of 3r44A

query
sites
3r44A

T

N

I

I

G

G

E

W

M

M

L

L

D

R

Q

Q

V

R

C

A

A

T

R

V

Q

S

P

P

D

R

V

L

E

Q

A

A

L

Y

V

V

A

E

P

P

F

S

Q

T

N

D

V

V

R

R

L

M

T

T

Y

Y

R

A

Q

Q

F

M

R

N

N

A

E

L

V

A

D

N

R

R

I

C

A

A

R

D

G

V

L

L

M

T

A

A

M

L

D

G

I

I

N

A

K

K

G

G

D

D

R

R

V

V

G

A

I

L

W

L

A

M

M

P

N

N

Y

S

A

V

E

E

W

F

T

C

M

C

V

L

Q

F

F

Y

A

G

T

A

A

A

K

K

I

L

G

G

A

A

I

V

M

A

V

V

N

P

I

I

N

N

P

T

A

R

Y

L

R

A

T

A

F

P

E

E

L

V

D

S

Y

F

C

I

L

L

K

S

Q

D

S

S

E

G

V

S

K

K

L

V

I

I

L

Y

Q

-

G

-

R

-

F

-

K

-

T

-

S

-

D

-

Y

-

V

-

G

-

M

-

F

-

Y

-

E

-

A

G

C

A

P

P

E

S

A

A

Y

-

E

-

S

-

R

-

P

-

G

-

R

-

L

-

S

-

E

-

K

-

F

-

P

P

F

V

L

I

K

D

T

A

I

I

I

R

F

A

M

Q

G

A

E

D

I

P

P

P

-

G

-

T

-

V

-

T

-

D

Y

W

N

I

G

G

M

A

Y

D

S

S

W

L

S

A

E

E

L

R

L

L

R

R

R

S

G

A

E

A

S

A

I

-

S

-

P

-

E

-

L

-

E

D

E

E

R

P

A

A

A

V

S

E

L

C

T

G

F

G

D

D

P

N

I

L

N

F

I

I

Q

M

Y

Y

T
|
T

S

S

G

G

T

-

G

-

Y

H

P

P

K

K

G

G

V

V

L

H

T

T

H

H

H
x
E

G

S

V

V

M
x
H

N

S

N
x
A

G

A

Y

S

M

S

I

W

G

A

K

S

G

T

M

I

G

D

F

V

T

R

E

Y

K

R

D

D

R

R

L

L

C

L

I

L

P

P

V

L

P

P

F

M

Y

F

H
|
H

C

V

F

A

G

A

M

L

V

T

L

-

S

T

N

V

M

I

A

F

C

S

A

A

T

M

N

R

G

G

A

V

T

T

M

L

V

-

I

I

P

S

A

M

P

P

T

Q

F

F

D

D

P

A

E

T

E

K

V

V

L

W

K

S

T

L

I

I

E

V

A

E

E

E

R

R

C

V

T

C

A

I

V

G

H

G

G

A

V

V

P

P

T

A

M

I

F

L

I

N

A

F

E

M

L

R

R

Q

H

V

P

P

D

E

F

F

A

A

K

E

Y

L

D

D

L

A

R

P

S

D

L

F

R

R

T

Y

G

F

I

I

M

T

A

G

G

G

S

A

P

P

C

M

P

P

I

E

E

A

V

L

M

I

K

K

E

I

V

Y

A

A

T

A

K

K

M

N

H

-

M

-

S

I

E

E

V

V

I

Q

V

G

Y

Y

G

A

Q

L

T
|
T

E
|
E

T

S

S

C

P

G

G

G

V

G

T

T

M

L

T

L

T

S

K

E

D

D

P

A

L

L

E

R

K

K

R

-

V

A

T

G

T

S

V

A

G

G

R

R

V

A

F

T

P

M

H

F

T

T

E

D

L

V

K

A

I

-

V

V

D

R

P

G

E

D

T

D

K

G

K

V

I

I

V

R

P

E

K

H

G

G

E

E

I

-

G

G

E

E

I

V

C

V

A

I

R

K

G

S

Y

D

M

I

A

L

M

L

R

K

C

E

Y

Y

Y

W

N

N

N

R

P

P

T

E

A

A

T

T

R

R

Q

D

T

A

K

F

D

D

E

-

N

N

G

G

W

W

I

F

H

R

T

T

G

G

D

D

L

I

G

G

S

E

F

I

D

D

Q

D

E

E

E

G

F

Y

V

L

H

Y

I

I

E

K

G

D

R

R

L

L

K

K

D

D

M

M

V

I

I
|
I

R

S

G

G

E

E

N
|
N

I

V

Y

Y

P

P

R

A

E

E

I

I

E

E

E

S

F

V

L

I

H

I

Q

G

H

V

P

P

K

G

I

V

A

S

D

E

V

V

Y

A

V

V

I

I

G

G

V

L

P

P

D

D

E

E

K

K

Y

W

G

G

E

-

E

E

L

I

M

A

A

A

W

A

I

I

V

V

L

V

E

A

K

D

D

Q

A

N

T

E

L

V

T

S

E

E

Q

Q

D

Q

V

I

R

V

D

E

H

Y

C

C

T

G

G

T

K

R

I

L

A

A

R

R

Y

Y

K

K

I

L

P

P

R

K

Y

K

I

V

S

I

F

F

V

A

E

E

S

A

V

I

P

P

M

R

S

N

V

P

T

T

G

G

K
|
K

I

I

Q

L

K

K

F

T

K

V

M

L

K

R

E

E

active site: T167 (= T214), A184 (≠ N234), H208 (= H258), T304 (= T358), E305 (= E359), I403 (= I461), N408 (= N466), K487 (= K546)
binding histidine: E179 (≠ H229), H182 (≠ M232)

Sites not aligning to the query:

binding histidine: 5

3ni2A Crystal structures and enzymatic mechanisms of a populus tomentosa 4- coumarate:coa ligase (see paper)
30% identity, 89% coverage: 46:554/571 of query aligns to 48:527/528 of 3ni2A

query
sites
3ni2A

F

Y

Q

A

N

D

V

V

R

E

L

L

T

T

Y

A

R

R

Q

-

F

-

R

-

N

-

E

-

V

-

D

-

R

R

I

V

A

A

R

S

G

G

L

L

M

N

A

K

M

I

D

G

I

I

N

Q

K

Q

G

G

D

D

R

V

V

I

G

M

I

L

W

F

A

L

M

P

N

S

Y

S

A

P

E

E

W

F

T

V

M

L

V

A

Q

F

F

L

A

G

T

A

A

S

K

H

I

R

G

G

A

A

I

I

M

I

V

T

N

A

I

A

N

N

P

P

A

F

Y

S

R

T

T

P

F

A

E

E

L

L

D

A

Y

K

C

H

L

A

K

K

Q

A

S

S

E

R

V

A

K

K

L

L

I

I

L

T

Q

Q

G

A

R

C

F

Y

-

Y

-

E

K

K

T

V

S

K

D

D

Y

F

V

-

G

-

M

-

F

-

Y

-

E

-

A

-

C

-

P

-

E

-

A

A

Y

R

E

E

S

S

R

D

P

V

G

K

R

V

L

M

L

C

S

V

E

D

K

S

F

A

P

P

F

-

L

-

K

-

T

-

I

-

F

-

M

-

G

-

E

-

I

-

P

-

Y

-

N

D

G

G

M

C

Y

L

S

H

W

F

S

S

E

E

L

L

L

T

R

Q

R

A

G

D

E

E

S

N

I

E

S

A

P

P

E

Q

E

-

L

-

E

-

R

-

A

-

A

V

S

D

L

I

T

S

F

P

D

D

P

V

I

V

N

A

I

L

Q

P

Y

Y

T
x
S

S

S

G

G

T

T

G

G

Y

L

P

P

K

K

G

G

V

V

V

M

L

L

T

T

H

H

H

K

G

G

V

L

M

I

N

T

N
x
S

G

V

Y

A

M

Q

I

Q

G

V

K

D

G

G

-

D

-

N

-

P

-

N

M

L

G

Y

F

F

T

H

E

S

K

E

D

D

R

V

L

I

C

L

I

C

P

V

V

L

P

P

F

M

Y

F

H
|
H

C

I

F
x
Y

G

A

M

L

V

N

L

-

S
|
S

N

I

M

M

A

L

C

C

A

G

T

L

N

R

G

V

A

G

T

A

M

P

V

I

I

L

P

I

A

M

P

P

T

K

F

F

D

E

P

I

E

G

E

S

V

L

L

L

K

G

T

L

I

I

E

E

A

K

E

Y

R

K

C

V

T

S

A

I

V

A

H

P

G

V

V

V

P

P

T

P

M

V

F

M

I

M

A

S

E

I

L

A

R

K

H

S

P

P

D

D

F

L

A

D

K

K

Y

H

D

D

L

L

R

S

S

S

L

L

R

R

T

M

G

I

I

K

M

S

A

G

G
|
G

S
x
A

P
|
P

C

L

P

G

I

K

E

E

V

L

M

E

K

D

E

T

V

V

A

R

T

A

K

K

M

F

H

P

M

Q

S

A

E

R

V

L

V

G

I

Q

V
x
G

Y

Y

G
|
G

Q

M

T
|
T

E
|
E

T

A

S

G

P
|
P

G
x
V

V

L

T

A

M

M

T

C

T

L

T

A

-

F

-

A

K

K

D

E

P

P

L

F

E

D

K

I

R

K

V

P

T

G

T

A

V

C

G

G

R

T

V

V

F

V

P

R

H

N

T

A

E

E

L

M

K

K

I

I

V

V

D

D

P

P

E

E

T

T

K

G

K

A

I

S

V

L

P

P

K

R

G

N

E

Q

I

P

G

G

E

E

I

I

C

C

A

I

R

R

G

G

Y

D

M

Q

A

I

M

M

R

K

C

G

Y

Y

Y

L

N

N

N

D

P

P

T

E

A

A

T

T

R

S

Q

R

T

T

K

I

D

D

E

K

N

E

G

G

W

W

I

L

H

H

T

T

G

G

D
|
D

L

I

G

G

S

Y

F

I

D

D

Q

D

E

D

F

E

V

L

H

F

I

I

E

V

G

D

R

R

L

L

K
|
K

D

E

M

L

V

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

E

A

F

L

L

L

H

I

Q

A

H

H

P

P

K

E

I

I

A

S

D

D

V

A

Y

A

V

V

I

V

G

G

V

L

P

K

D

D

E

E

K

D

Y

A

G

G

E

E

E

V

L

P

M

V

A

A

W

F

I

V

V

V

L

K

E

S

K

E

D

K

A

S

T

Q

L

A

T

T

E

E

Q

D

D

E

V

I

R

K

D

Q

H

Y

C

I

T

S

G

K

K

Q

I

V

A

I

R

F

Y

Y

K

K

I

R

P

I

R

K

Y

R

I

V

S

F

F

F

V

I

E

E

S

A

V

I

P

P

M

K

S

A

V

P

T

S

G

G

K
|
K

I

I

Q

L

K

R

F

K

K

N

M

L

K

K

E

E

active site: S182 (≠ T214), S202 (≠ N234), H230 (= H258), T329 (= T358), E330 (= E359), K434 (≠ I461), Q439 (≠ N466), K519 (= K546)
binding 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine: Y232 (≠ F260), S236 (= S265), G302 (= G331), A303 (≠ S332), P304 (= P333), G325 (≠ V354), G327 (= G356), T329 (= T358), P333 (= P362), V334 (≠ G363), D413 (= D440), K430 (= K457), K434 (≠ I461), Q439 (≠ N466)

3a9vA Crystal structures and enzymatic mechanisms of a populus tomentosa 4- coumarate--coa ligase (see paper)
30% identity, 89% coverage: 46:554/571 of query aligns to 48:527/528 of 3a9vA

query
sites
3a9vA

F

Y

Q

A

N

D

V

V

R

E

L

L

T

T

Y

A

R

R

Q

-

F

-

R

-

N

-

E

-

V

-

D

-

R

R

I

V

A

A

R

S

G

G

L

L

M

N

A

K

M

I

D

G

I

I

N

Q

K

Q

G

G

D

D

R

V

V

I

G

M

I

L

W

F

A

L

M

P

N

S

Y

S

A

P

E

E

W

F

T

V

M

L

V

A

Q

F

F

L

A

G

T

A

A

S

K

H

I

R

G

G

A

A

I

I

M

I

V

T

N

A

I

A

N

N

P

P

A

F

Y

S

R

T

T

P

F

A

E

E

L

L

D

A

Y

K

C

H

L

A

K

K

Q

A

S

S

E

R

V

A

K

K

L

L

I

I

L

T

Q

Q

G

A

R

C

F

Y

-

Y

-

E

K

K

T

V

S

K

D

D

Y

F

V

-

G

-

M

-

F

-

Y

-

E

-

A

-

C

-

P

-

E

-

A

A

Y

R

E

E

S

S

R

D

P

V

G

K

R

V

L

M

L

C

S

V

E

D

K

S

F

A

P

P

F

-

L

-

K

-

T

-

I

-

F

-

M

-

G

-

E

-

I

-

P

-

Y

-

N

D

G

G

M

C

Y

L

S

H

W

F

S

S

E

E

L

L

L

T

R

Q

R

A

G

D

E

E

S

N

I

E

S

A

P

P

E

Q

E

-

L

-

E

-

R

-

A

-

A

V

S

D

L

I

T

S

F

P

D

D

P

V

I

V

N

A

I

L

Q

P

Y

Y

T
x
S

S

S

G

G

T

T

G

G

Y

L

P

P

K

K

G

G

V

V

V

M

L

L

T

T

H

H

H

K

G

G

V

L

M

I

N

T

N
x
S

G

V

Y

A

M

Q

I

Q

G

V

K

D

G

G

-

D

-

N

-

P

-

N

M

L

G

Y

F

F

T

H

E

S

K

E

D

D

R

V

L

I

C

L

I

C

P

V

V

L

P

P

F

M

Y

F

H
|
H

C

I

F

Y

G

A

M

L

V

N

L

-

S

S

N

I

M

M

A

L

C

C

A

G

T

L

N

R

G

V

A

G

T

A

M

P

V

I

I

L

P

I

A

M

P

P

T

K

F

F

D

E

P

I

E

G

E

S

V

L

L

L

K

G

T

L

I

I

E

E

A

K

E

Y

R

K

C

V

T

S

A

I

V

A

H

P

G

V

V

V

P

P

T

P

M

V

F

M

I

M

A

S

E

I

L

A

R

K

H

S

P

P

D

D

F

L

A

D

K

K

Y

H

D

D

L

L

R

S

S

S

L

L

R

R

T

M

G

I

I

K

M

S

A

G

G
|
G

S
x
A

P
|
P

C

L

P

G

I

K

E

E

V

L

M

E

K

D

E

T

V

V

A

R

T

A

K

K

M

F

H

P

M

Q

S

A

E

R

V

L

V

G

I

Q

V

G

Y
|
Y

G
|
G

Q
x
M

T
|
T

E
|
E

T

A

S

G

P

P

G

V

V

L

T

A

M

M

T

C

T

L

T

A

-

F

-

A

K

K

D

E

P

P

L

F

E

D

K

I

R

K

V

P

T

G

T

A

V

C

G

G

R

T

V

V

F

V

P

R

H

N

T

A

E

E

L

M

K

K

I

I

V

V

D

D

P

P

E

E

T

T

K

G

K

A

I

S

V

L

P

P

K

R

G

N

E

Q

I

P

G

G

E

E

I

I

C

C

A

I

R

R

G

G

Y

D

M

Q

A

I

M

M

R

K

C

G

Y

Y

Y

L

N

N

N

D

P

P

T

E

A

A

T

T

R

S

Q

R

T

T

K

I

D

D

E

K

N

E

G

G

W

W

I

L

H

H

T

T

G

G

D
|
D

L

I

G

G

S

Y

F

I

D

D

Q

D

E

D

F

E

V

L

H

F

I

I

E

V

G

D

R

R

L

L

K
|
K

D

E

M

L

V

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

E

A

F

L

L

L

H

I

Q

A

H

H

P

P

K

E

I

I

A

S

D

D

V

A

Y

A

V

V

I

V

G

G

V

L

P

K

D

D

E

E

K

D

Y

A

G

G

E

E

E

V

L

P

M

V

A

A

W

F

I

V

V

V

L

K

E

S

K

E

D

K

A

S

T

Q

L

A

T

T

E

E

Q

D

D

E

V

I

R

K

D

Q

H

Y

C

I

T

S

G

K

K

Q

I

V

A

I

R

F

Y

Y

K

K

I

R

P

I

R

K

Y

R

I

V

S

F

F

F

V

I

E

E

S

A

V

I

P

P

M

K

S

A

V

P

T

S

G

G

K
|
K

I

I

Q

L

K

R

F

K

K

N

M

L

K

K

E

E

active site: S182 (≠ T214), S202 (≠ N234), H230 (= H258), T329 (= T358), E330 (= E359), K434 (≠ I461), Q439 (≠ N466), K519 (= K546)
binding adenosine monophosphate: H230 (= H258), G302 (= G331), A303 (≠ S332), P304 (= P333), Y326 (= Y355), G327 (= G356), M328 (≠ Q357), T329 (= T358), D413 (= D440), K430 (= K457), K434 (≠ I461), Q439 (≠ N466)

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)
29% identity, 88% coverage: 52:553/571 of query aligns to 65:547/556 of Q9S725

query
sites
Q9S725

T

T

Y

Y

R

A

Q

D

F

V

R

H

N

V

E

T

V

S

D

R

R

K

I

L

A

A

R

A

G

G

L

L

M

H

A

N

M

L

D

G

I

V

N

K

K

Q

G

H

D

D

R

V

V

V

G

M

I

I

W

L

A

L

M

P

N

N

Y

S

A

P

E

E

W

V

T

V

M

L

V

T

Q

F

F

L

A

A

T

A

A

S

K

F

I

I

G

G

A

A

I

I

M

T

V

T

N

S

I

A

N

N

P

P

A

F

Y

F

R

T

T

P

F

A

E

E

L

I

D

S

Y

K

C

Q

L

A

K

K

Q

A

S

S

E

A

V

A

K

K

L

L

L

I

I

V

L

T

Q

Q

G

S

R

R

F

-

K

-

T

-

S

-

D

-

Y

-

V

-

G

-

M

-

F

-

Y

-

E

-

A

-

C

-

P

-

E

-

A

-

Y

Y

E

V

S

D

R

K

P

I

G

K

R

N

L

L

L

Q

S

N

E

D

K

G

F

V

P

L

F

I

L

V

K

T

T

T

I

-

F

D

M

S

G

D

E

A

I

I

P

P

Y

E

N

N

G

C

M

L

Y

-

S

R

W

F

S

S

E

E

L

L

L

T

R

Q

R

S

G

E

E

E

S

P

I

-

S

-

P

-

E

-

E

R

L

V

E

D

E

S

R

I

A

P

A

E

S

K

L

I

T

S

F

P

D

E

D

D

P

V

I

V

N

A

I

L

Q

P

Y

F

T

S

S

S

G

G

T

T

G

G

Y

L

P

P

K
|
K

G

G

V

V

V

M

L

L

T

T

H

H

H

K

G

G

V

L

M

V

N

T

N

S

G

V

Y

A

M

Q

I

Q

G

V

K

D

G

G

-

E

-

N

-

P

-

N

M

L

G

Y

F

F

T

N

E

R

K

D

D

D

R

V

L

I

C

L

I

C

P

V

V

L

P

P

F

M

Y

F

H

H

C

I

F

Y

G

A

M

L

V

N

L

-

S

S

N

I

M

M

A

L

C

C

A

S

T

L

N

R

-

V

G

G

A

A

T

T

M

I

V

L

I

I

P

-

A

M

P

P

T

K

F

F

D

E

P

I

E

T

E

L

V

L

L

L

K

E

T

Q

I

I

E

Q

A

R

E

C

R

K

C

V

T

T

A

V

V

A

H
x
M

G

V

V

V

P

P

T

P

M

I

F

V

I

L

A

A

E

I

L

A

R

K

H

S

P

P

D

E

F

T

A

E

K

K

Y

Y

D

D

L

L

R

S

S

S

L

V

R

R

T

M

G

V

I
x
K

M

S

A

G

G

A

S

A

P

P

C

L

P

G

I

K

E

E

V

L

M

E

K

D

E

A

V

I

A

S

T

A

K

K

M

F

H

P

M

N

S

A

E

K

V

L

V

G

I

Q

V

G

Y

Y

G

G

Q

M

T

T

E

E

T

A

S

G

P

P

G

V

V

L

T

A

M

M

T

S

T

L

-

G

-

F

T

A

K

K

D

E

P

P

L

F

E

P

K

V

R

K

V

S

T

G

T

A

V

C

G

G

R

T

V

V

F

V

P

R

H

N

T

A

E

E

L

M

K

K

I

I

V

L

D

D

P

P

E

D

T

T

K

G

K

D

I

S

V

L

P

P

K

R

G

N

E

K

I

P

G

G

E
|
E

I

I

C
|
C

A

I

R

R

G

G

Y

N

M

Q

A

I

M

M

R

K

C

G

Y

Y

Y

L

N

N

N

D

P

P

T

L

A

A

T

T

R

A

Q

S

T

T

K

I

D

D

E

K

N

D

G

G

W

W

I

L

H

H

T

T

G

G

D

D

L

V

G

G

S

F

F

I

D

D

Q

D

E

D

F

E

V

L

H

F

I

I

E

V

G

D

R
|
R

L

L

K

K

D

E

M

L

V

I

I

K

R

Y

G
x
K

G

G

E

F

N

Q

I

V

Y

A

P

P

R

A

E

E

I

L

E

E

E

S

F

L

L

L

H

I

Q

G

H

H

P

P

K

E

I

I

A

N

D

D

V

V

Y

A

V

V

I

V

G

A

V

M

P

K

D

E

E

E

K

D

Y

A

G

G

E

E

E

V

L

P

M

V

A

A

W

F

I

V

V

V

L

R

E

S

K

K

D

D

A

S

T

N

L

I

T

S

E

E

Q

D

D

E

V

I

R

K

D

Q

H

F

C

V

T

S

G

K

K

Q

I

V

A

V

R

F

Y

Y

K

K

I

R

P

I

R

N

Y

K

I

V

S

F

F

F

V

T

E

D

S

S

V

I

P

P

M

K

S

A

V

P

T

S

G

G

K
|
K

I

I

Q

L

K

R

F

K

K

D

M

L

K

R

K211 (= K222) mutation to S: Drastically reduces the activity.
M293 (≠ H301) mutation M->A,P: Affects the substrate specificity.
K320 (≠ I328) mutation K->L,A: Affects the substrate specificity.
E401 (= E407) mutation to Q: Slighlty reduces the substrate specificity.
C403 (= C409) mutation to A: Significantly reduces the substrate specificity.
R449 (= R455) mutation to Q: Drastically reduces the activity.
K457 (≠ G463) mutation to S: Drastically reduces the activity.
K540 (= K546) mutation to N: Abolishes the activity.

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)
29% identity, 93% coverage: 24:556/571 of query aligns to 24:553/561 of P69451

query
sites
P69451

T

S

I

L

G

V

E

D

M

M

L

F

D

E

Q

Q

V

S

C

V

A

A

R

R

Q

Y

P

A

D

D

V

Q

E

P

A

A

L

F

V

V

A

N

P

-

F

-

Q

M

N

G

V

E

R

V

L

M

T

T

Y

F

R

R

Q

K

F

L

R

E

N

E

E

R

V

S

D

R

R

A

I

F

A

A

R

A

G

Y

L

L

M

Q

-

Q

A

G

M

L

D

G

I

L

N

K

K

K

G

G

D

D

R

R

V

V

G

A

I

L

W

M

A

M

M

P

N

N

Y

L

A

L

E

Q

W

Y

T

P

M

V

V

A

Q

L

F

F

A

G

T

I

A

L

K

R

I

A

G

G

A

M

I

I

M

V

V

V

N

N

I

V

N

N

P

P

A

L

Y

Y

R

T

T

P

F

R

E

E

L

L

D

E

Y

H

C

Q

L

L

K

N

Q

D

S

S

E

G

V

A

K

S

L

A

L

I

I

V

L

I

Q

V

G

S

R

N

F

F

K

A

T

H

S

T

D

L

Y

E

V

K

G

V

M

V

F

D

Y

K

E

T

A

A

C

V

P

Q

E

H

A

V

Y

I

E

L

S

T

R

R

P

M

G

G

R

D

L

Q

L

L

S

S

E

T

K

A

-

K

-

G

-

T

-

V

-

N

-

F

-

V

F

V

P

K

F

Y

L

I

K

K

T

R

I

L

I

V

F

P

M

K

G

Y

E

H

I

L

P

P

Y

-

N

-

G

D

M

A

Y

I

S

S

W

F

S

R

E

S

L

A

L

L

R

H

R

N

G

G

-

Y

-

R

-

M

E

Q

S

Y

I

V

S

K

P

P

E

E

E

L

L

V

E

P

E

E

R

D

A

L

A

A

S

F

L

L

T

-

F

-

D

-

P

-

I

-

N

-

I

-

Q

Q

Y
|
Y

T
|
T

S

G

G
|
G

T
|
T

T

T

G
|
G

Y

V

P

A

K
|
K

G

G

V

A

V

M

L

L

T

T

H

H

H

R

G

N

V

M

M

L

N

A

N

N

G

L

Y

E

M

Q

I

V

G

N

K

A

G

T

M

Y

G

G

-

P

-

L

F

H

T

P

E

G

K

K

D

E

R

L

L

V

C

V

I

T

P

A

V

L

P

P

F

L

Y

Y

H

H

C

I

F

F

G

A

M

L

V

T

L

I

S

N

N

C

M

L

A

L

C

F

A

I

T

E

N

L

G

G

A

G

T

Q

M

N

V

L

I

L

P

I

A

T

P

N

T

P

F

R

D

D

P

I

E

P

E

G

V

L

L

V

K

K

T

E

I

L

E

A

A

K

E

Y

R

P

C

F

T

T

A

A

V

I

H

T

G

G

V

V

P

N

T

T

M

L

F

F

I

N

A

A

E

L

L

L

R

N

H

N

P

K

D

E

F

F

A

Q

K

Q

Y

L

D

D

L

F

R

S

S

S

L

L

R

H

T

L

G

S

I

A

M

G

A

G

G

G

S

M

P

P

C

V

P

Q

I

-

E

Q

V

V

M

V

K

A

E

E

V

R

A

W

T

V

K

K

M

L

H

T

M

G

S

Q

E

Y

V

L

I

E

V

G

Y

Y

G

G

Q

L

T

T

E
|
E

T

C

S

A

P

P

G

L

V

V

T

S

M

V

T

N

T

P

T

Y

K

D

D

-

P

-

L

I

E

D

K

Y

R

H

V

S

T

G

T

S

V

I

G

G

R

L

V

P

F

V

P

P

H

S

T

T

E

E

L

A

K

K

I

L

V

V

D

D

P

D

E

D

T

D

K

N

K

E

I

-

V

V

P

P

K

P

G

G

E

Q

I

P

G

G

E

E

I

L

C

C

A

V

R

K

G

G

Y

P

M

Q

A

V

M

M

R

L

C

G

Y

Y

Y

W

N

Q

N

R

P

P

T

D

A

A

T

T

R

D

Q

E

T

I

K

I

D

-

E

K

N

N

G

G

W

W

I

L

H

H

T

T

G

G

D

D

L

I

G

A

S

V

F

M

D

D

Q

E

E

E

E

G

F

F

V

L

H

R

I

I

E

V

G

D

R

R

L

K

K

K

D

D

M

M

V

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

E

D

F

V

L

V

H

M

Q

Q

H

H

P

P

K

G

I

V

A

Q

D

E

V

V

Y

A

V

A

I

V

G

G

V

V

P

P

D

S

E

G

K

S

Y

S

G

G

E

E

E

A

L

V

M

K

A

I

W

F

I

V

V

V

L

-

E

K

K

K

D

D

A

P

T

S

L

L

T

T

E

E

Q

E

D

S

V

L

R

V

D

T

H

F

C

C

T

R

G

R

K

Q

I

L

A

T

R

G

Y

Y

K

K

I

V

P

P

R

K

Y

L

I

V

S

E

F

F

V

R

E

D

S

E

V

L

P

P

M

K

S

S

V

N

T

V

G

G

K

K

I

I

Q

L

K

R

F

R

K

E

M

L

K

R

E

D

M

E

A

A

Y213 (= Y213) mutation to A: Loss of activity.
T214 (= T214) mutation to A: 10% of wild-type activity.
G216 (= G216) mutation to A: Decreases activity.
T217 (= T217) mutation to A: Decreases activity.
G219 (= G219) mutation to A: Decreases activity.
K222 (= K222) mutation to A: Decreases activity.
E361 (= E359) mutation to A: Loss of activity.

4wv3B Crystal structure of the anthranilate coa ligase auaeii in complex with anthranoyl-amp (see paper)
30% identity, 95% coverage: 15:556/571 of query aligns to 3:512/518 of 4wv3B

query
sites
4wv3B

T

A

A

S

D

D

F

L

P

P

L

L

M

Y

G

Y

A

N

T

A

I

V

G

-

E

D

M

I

L

L

D

E

Q

R

V

N

C

L

A

P

R

V

Q

R

P

A

D

N

V

K

E

T

A

A

L

L

V

F

A

T

P

P

F

-

Q

-

N

D

V

R

R

E

L

M

T

T

Y

F

R

R

Q

Q

F

V

R

S

N

N

E

E

V

A

D

N

R

Q

I

V

A

G

R

N

G

A

L

L

M

K

A

G

M

L

D

G

I

V

N

R

K

F

G

G

D

E

R

C

V

V

G

G

I

L

W

L

A

T

M

L

N

D

Y

S

A

A

E

E

W

W

T

V

M

T

V

S

Q

F

F

F

A

G

T

I

A

V

K

K

I

L

G

G

A

A

I

I

M

A

V

V

N

G

I

I

N

N

P

T

A

L

Y

L

R

K

T

P

F

P

E

E

L

Y

D

E

Y

Y

C

I

L

L

K

R

Q

D

S

C

E

R

V

A

K

R

L

V

L

L

I

I

L

V

Q

H

G

Q

R

E

F

F

K

L

T

-

S

-

D

-

Y

-

V

-

G

-

M

-

F

-

Y

-

E

-

A

-

C

-

P

-

E

P

A

L

Y

I

E

E

S

S

R

I

P

R

G

G

R

N

L

L

L

-

S

-

E

-

K

-

F

-

P

P

F

M

L

L

K

E

T

H

I

I

I

V

F

V

M

I

G

G

E

E

I

G

P

P

Y

Q

N

E

G

G

M

Y

Y

L

S

S

W

F

S

N

E

D

L

W

L

I

R

R

R

-

G

-

E

-

S

-

I

-

S

-

P

P

E

Q

E

P

L

T

E

T

E

L

R

E

A

A

S

Q

L

S

T

H

F

R

D

E

D

D

P

I

I

C

N

S

I

L

Q

N

Y

Y

T
x
S

S

S

G

G

T

T

G

G

Y

G

P

P

K

K

G

G

V

I

V

P

L

H

T

A

H

H

H

K

G

D

V

Y

M

P

N

L

N

T

G

A

Y

Q

M

L

I

W

G

G

K

V

G

N

-

V

M

L

G

G

F

L

T

R

E

E

K

S

D

D

R

R

L

T

C

F

I

A

P

L

V

A

P

K

F

L

Y

F

H
x
F

C
x
T

F
|
F

G

G

M

T

V

G

L

G

S

N

N

L

M

I

A

F

C

P

A

W

T

Y

N

V

G

G

A

A

T

S

M

C

V

V

I

L

-

F

P

P

A

G

P

A

T

A

F

R

D

V

P

A

E

S

E

N

V

V

L

L

K

S

T

T

I

I

E

S

A

R

E

F

R

K

C

P

T

T

A

I

V

F

H

Y

G

N

V

A

P

P

T

T

M

G

F

Y

I

A

A

A

E

A

L

L

R

A

H

L

P

K

D

D

F

F

A

S

K

Q

Y

H

D

D

L

L

R

S

S

S

L

L

R

R

T

L

G

C

I

V

M

S

A
|
A

G
x
S

S
x
E

P
x
A

C

L

P

P

I

A

E

A

V

L

M

W

K

Y

E

A

V

W

A

K

T

E

K

A

M

T

H

G

M

V

S

-

E

D

V

I

I

D

V
x
G

Y
x
I

G
|
G

Q
x
C

T
|
T

E
|
E

T

N

S

-

P

-

G

-

V

F

T

H

M

I

T

F

T

I

T

S

K

N

D

R

P

P

L

G

E

D

K

I

R

R

V

P

T

G

T

S

V

S

G

G

R

K

V

P

F

V

P

E

H

G

T

Y

E

E

L

L

K

K

I

L

V

V

D

D

P

D

E

E

T

-

K

G

K

K

I

T

V

V

P

P

K

A

G

G

E

E

I

I

G

G

E

N

I

V

C

L

A

L

R

R

G

S

Y

E

M

T

A

A

M

A

R

L

C

S

Y

Y

Y

W

N

H

N

N

P

F

T

E

A

K

T

S

R

R

Q

Q

T

T

K

F

D

-

E

Q

N

G

G

E

W

W

I

L

H

A

T

T

G

G

D
|
D

L

K

G

Y

S

F

F

V

D

D

Q

A

E

D

E

G

F

Y

V

Y

H

W

I
x
H

E

A

G

G

R
|
R

L

S

K

D

D

D

M

M

V

L

I
x
K

R

V

G

G

E

I

N
x
W

I

V

Y

S

P

P

R

V

E

E

I

V

E

E

E

S

F

T

L

L

H

I

Q

Q

H

H

P

P

K

A

I

V

A

Q

D

E

V

C

Y

A

V

V

I

I

G

G

V

C

P

P

D

D

E

L

K

I

Y

-

G

-

E

-

E

K

L

P

M

K

A

A

W

F

I

I

V

I

L

L

E

-

K

K

D

P

A

Q

T

I

L

P

T

S

E

E

Q

A

D

L

V

I

R

R

-

Q

-

I

-

T

D

D

H

H

C

C

T

T

G

E

K

K

I

M

A

A

R

A

Y

Y

K

K

I

R

P

P

R

R

Y

W

I

I

S

E

F

F

V

V

E

T

S

E

V

L

P

P

M

K

S

T

V

A

T

T

G

G

K
|
K

I

I

Q

Q

K

R

F

F

K

K

M

L

K

R

E

S

M

A

A

A

active site: S175 (≠ T214), T320 (= T358), E321 (= E359), K418 (≠ I461), W423 (≠ N466), K502 (= K546)
binding 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine: F220 (≠ H258), T221 (≠ C259), F222 (= F260), A293 (= A330), S294 (≠ G331), E295 (≠ S332), A296 (≠ P333), G316 (≠ V354), I317 (≠ Y355), G318 (= G356), C319 (≠ Q357), T320 (= T358), D397 (= D440), H409 (≠ I452), R412 (= R455), K502 (= K546)

6hpsA Near-infrared dual bioluminescence imaging in vivo using infra- luciferin (see paper)
29% identity, 95% coverage: 18:558/571 of query aligns to 11:537/539 of 6hpsA

query
sites
6hpsA

F

Y

P

P

L

L

M

E

G

D

A

G

T

T

I

A

G

G

E

E

M

Q

L

L

D

H

Q

K

V

A

C

M

A

K

R

R

Q

Y

-

A

-

L

-

V

P

P

D

G

V

T

E

I

A

A

L

F

V

T

A

D

P

A

F

H

Q

I

N

E

V

V

R

N

L

I

T

T

Y

Y

R

A

Q

E

F

Y

R

F

N

E

E

M

V

S

D

V

R

R

I

L

A

A

R

E

G

A

L

M

M

K

A

R

M

Y

D

G

I

L

N

N

K

T

G

N

D

H

R

R

V

I

G

V

I

V

W

C

A

S

M

E

N

N

Y

S

A

L

E

Q

W

F

T

F

M

M

V

P

Q

V

F

L

A

G

T

A

A

L

K

F

I

I

G

G

A

V

I

A

M

V

V

A

N

P

I

A

N

N

P

D

A

I

Y

Y

R

N

T

E

F

R

E

E

L

L

-

L

-

N

D

S

Y

M

C

N

L

I

K

S

Q

Q

S

P

E

T

V

V

K

V

L

F

L

V

I

S

L

K

Q

K

G

G

R

L

F

Q

K

K

T

I

S

L

D

N

Y

-

V

-

G

-

M

-

F

-

Y

-

E

-

A

-

C

-

P

-

E

-

A

-

Y

-

E

-

S

-

R

-

P

-

G

-

R

-

L

-

L

V

S

Q

E

K

K

K

F

L

P

P

F

I

L

I

K

Q

T

K

I

I

F

I

M

M

-

D

G

S

E

K

I

T

P

D

Y

Y

N

Q

G

G

M

F

Y

Q

S

S

W

M

S

Y

E

T

L

F

L

V

R

T

R

S

G

H

E

L

S

P

I

P

S

G

P

F

E

N

E

E

L

Y

E

D

E

F

R

V

A

P

A

E

S

S

L

F

T

D

F

R

D

D

D

K

P

T

I

I

N

A

-

L

I

I

Q

M

Y

N

T
x
S

S

S

G

G

T

S

T

T

G

G

Y

L

P

P

K

K

G

G

V

V

V

A

L

L

T

P

H

H

H

R

G

T

V

A

-

C

-

V

-
x
R

M

F

N

S

N

H

G

A

Y

R

M

D

I

P

G

I

K

F

G

G

M

N

G

Q

F

I

T

I

E

P

K

D

D

T

R

A

L

I

C

L

I

S

P

V

V

V

P

P

F

F

Y

H

H
|
H

C
x
G

F
|
F

G

G

M

M

-

F

-

T

V

T

L

L

S

G

N

Y

M

L

A

I

C

C

A

G

T

F

N

R

G

V

A

V

T

L

M

M

V

Y

I

-

P

-

A

-

P

-

T

R

F

F

D

E

P

E

E

E

E

L

V

F

L

L

K

R

T

S

I

L

E

Q

A

D

E

Y

R

K

C

I

T

Q

A

S

V

A

H

L

G

L

V

V

P

P

T

T

M

L

F

F

I

S

A

F

E

F

L

A

R

K

H

S

P

T

D

L

F

I

A

D

K

K

Y

Y

D

D

L

L

R

S

S

N

L

L

R

H

T

E

G

I

I

A

M
x
S

A

G

G
|
G

S
x
A

P
|
P

C

L

P

S

I

K

E

E

V

V

M

G

K

E

E

A

V

V

A

A

T

K

K

R

M

F