SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF4204 FitnessBrowser__Marino:GFF4204 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)
32% identity, 85% coverage: 81:570/578 of query aligns to 66:576/590 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

1md9A Crystal structure of dhbe in complex with dhb and amp (see paper)
29% identity, 94% coverage: 25:565/578 of query aligns to 1:527/536 of 1md9A

query
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active site: S190 (≠ T229), S210 (≠ N249), H234 (= H273), A333 (≠ T371), E334 (= E372), N434 (≠ I470), K439 (≠ N475), K519 (= K557)
binding adenosine monophosphate: G191 (≠ S230), G307 (= G345), A308 (= A346), K309 (≠ P347), V329 (≠ A367), F330 (≠ W368), G331 (= G369), M332 (= M370), D413 (= D449), V425 (≠ I461), R428 (= R464), K519 (= K557)
binding 2,3-dihydroxy-benzoic acid: H234 (= H273), N235 (≠ Q274), Y236 (≠ T275), S240 (≠ Y279), G307 (= G345), V329 (≠ A367), G331 (= G369), M332 (= M370), K519 (= K557)

P40871 2,3-dihydroxybenzoate-AMP ligase; Dihydroxybenzoic acid-activating enzyme; EC 6.2.1.71 from Bacillus subtilis (strain 168) (see paper)
29% identity, 94% coverage: 25:565/578 of query aligns to 1:527/539 of P40871

query
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P40871

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I

-

Q

-

I

-

L

-

Y

-

T

-

S

-

G

G

T

S

T

T

G

G

E

L

P

S

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

I

S

Y

N

S

V

L

R

K

P

R

Y

S

A

V

D

E

R

V

L

C

H

W

L

L

T

D

S

H

D

S

D

T

K

V

V

Y

L

L

M

A

A

A

S

L

P

P

L

M

A

A

H
|
H

Q
x
N

T

Y

G

P

F

L

M

S

Y
x
S

-

P

G

G

I

V

M

L

M

G

P

V

V

L

Y

Y

L

A

G

G

T

G

T

R

A

V

I

V

L

L

Q

S

D

P

I

S

W

P

D

S

A

P

D

D

Y

D

V

A

C

F

K

P

V

L

I

I

G

E

A

R

E

E

K

K

P

V

A

T

F

I

T

T

M

A

A

L

A

V

T

P

P

P

F

L

L

A

A

M

D

V

L

W

V

M

K

D

T

A

A

A

P

S

K

S

H

R

E

R

G

D

E

D

L

L

D

S

S

S

L

L

R

Q

I

V

F

L

V

Q

S

V

A

G

G
|
G

A

A

P

K

I

F

P

S

S

A

A

E

V

A

E

R

Q

R

A

V

G

K

K

A

V

V

L

F

K

G

A

C

K

T

I

L

V

Q

S

Q

A
x
V

W

F

G

G

M

M

T

A

E

E

N

-

G

G

A

L

V

V

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

E

E

E

R

I

A

I

S

V

Q

N

S

T

D

Q

G

G

K

K

A

P

M

M

-

S

P

P

F

Y

M

D

E

E

V

M

K

R

V

V

T

W

D

D

F

D

Q

H

G

D

N

R

E

D

L

V

P

K

A

P

G

G

E

E

E

T

G

G

S

H

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

I

V

R

G

G

Y

Y

L

Y

K

K

R

A

P

E

E

E

L

H

Y

N

G

A

V

A

D

S

-

F

-

T

E

E

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

I

A

V

R

R

M

L

D

T

Q

R

D

D

A

G

Y

Y

I

I

R

V

I

V

T

E

G

G

R
|
R

T

A

K

K

D

D

V

Q

V

I

I

N

R

R

G

G

E

E

N

K

I

V

P

A

V

A

V

E

E

E

V

V

E

E

N

N

L

H

L

L

Y

L

K

A

F

H

P

P

G

A

I

V

V

H

D

D

V

A

A

A

L

M

V

V

G

S

C

M

P

P

D

D

E

Q

R

F

L

L

G

G

E

E

R

R

L

S

C

C

A

V

Y

F

V

I

T

I

L

P

D

R

E

D

N

E

A

A

T

P

D

K

L

A

T

A

L

-

E

-

Q

E

V

L

K

K

T

A

Y

F

L

L

T

R

E

E

Q

R

Q

G

L

L

S

A

K

A

N

Y

Y

K

L

I

P

P

E

D

Y

R

L

V

E

E

V

F

I

V

E

E

A

S

M

F

P

P

R

Q

T

T

A

G

S

V

G

G

K
|
K

I

V

Q

S

K

K

F

K

K

A

L

L

R

R

E

E

G191 (≠ A220) binding
HN 234:235 (≠ HQ 273:274) binding
S240 (≠ Y279) binding
G307 (= G345) binding
V329 (≠ A367) binding
D413 (= D449) binding
R428 (= R464) binding
K519 (= K557) binding ; binding

5wm2A Crystal structure of cahj in complex with salicylic acid and amp (see paper)
30% identity, 90% coverage: 42:563/578 of query aligns to 21:530/536 of 5wm2A

query
sites
5wm2A

S

A

G

G

A

Y

W

W

N

E

D

G

K

R

I

P

I

L

T

D

D

R

Y

L

F

L

D

R

Q

E

A

R

V

A

A

A

S

A

T

D

P

P

D

D

R

R

E

I

A

A

I

L

V

V

G

-

Y

-

Q

-

V

-

T

-

S

D

D

A

T

A

R

G

N

D

A

R

L

W

T

T

Y

Y

R

A

E

E

L

L

N

D

D

R

K

H

V

A

T

D

R

R

M

Q

A

A

G

G

L

L

A

R

M

L

G

G

I

I

G

G

K

A

G

G

E

D

V

R

V

V

A

V

C

V

Q

Q

L

L

P

P

N

N

W

T

W

D

Q

A

T

F

T

V

A

V

L

L

H

F

L

F

A

A

C

L

M

L

R

R

I

A

G

G

A

A

I

V

L

P

N

V

P

L

L

T

M

L

P

P

I

A

F

H

R

R

E

E

R

S

E

E

L

I

R

V

F

H

M

V

L

A

K

E

H

T

G

A

E

G

A

A

K

T

L

A

L

Y

V

V

I

I

P

P

K

D

V

V

F

L

R

D

D

G

F

F

D

D

Y

H

E

R

A

A

M

L

V

A

D

R

G

A

I

A

R

R

G

K

E

A

L

V

P

P

A

S

L

I

E

E

T

H

L

V

L

L

V

V

I

A

G

G

G

E

E

A

G

A

E

E

R

F

S

T

F

A

E

L

Q

A

R

D

L

V

M

D

E

A

T

A

P

P

W

V

E

P

K

-

Q

-

D

-

I

-

T

-

S

-

L

-

F

L

A

A

E

E

R

P

Q

D

L

-

T

-

A

P

D

G

D

D

A

V

I

A

Q

L

I

L

L

L

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

K

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

T

S

Y

N
|
N

V

V

R

R

P

A

Y

S

A

A

D

E

R

V

L

C

H

G

L

F

T

D

S

S

D

D

D

T

K

V

V

Y

L

L

M

V

A

V

S

L

P

P

L

T

A

A

H
|
H

Q

N

T

F

G

A

F

L

M

A

Y

C

-

P

G

G

I

L

M

L

M

G

P

T

V

L

Y

M

L

V

G

G

T

G

T

T

A

V

I

V

L

L

Q

A

D

P

I

T

W

P

D

S

A

P

D

E

Y

D

V

A

C

F

K

E

V

L

I

I

G

E

A

R

E

E

K

K

P

V

A

T

F

A

T

T

M

A

A

V

T

P

P

P

F

V

L

A

A

L

D

L

L

W

V

L

K

D

T

A

A

V

P

E

K

W

H

E

E

D

G

A

E

D

L

L

D

S

S

S

L

L

R

R

I

L

F

L

V

Q

S

V

A

G

G
|
G

A
x
S

P
x
K

I

L

P

G

S

A

A

E

V

P

V

A

E

A

Q

R

A

V

G

R

K

P

V

A

L

L

K

G

A

C

K

T

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V

L

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

S

E

D

R

L

A

V

S

I

Q

Q

S

T

D

Q

G

G

K

R

A

P

M

L

-

S

P

P

F

D

M

D

E

E

V

I

K

R

V

V

T

V

D

D

F

E

Q

D

G

G

N

R

E

D

L

V

P

A

A

P

G

G

E

E

E

T

G

G

S

E

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

L

V

R

G

G

Y

Y

L

Y

K

R

R

A

P

P

E

E

L

H

Y

N

G

A

-

R

-

T

V

F

D

S

E

D

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

L

A

V

R

R

M

V

D

L

Q

P

D

S

A

G

Y

H

I

L

R

V

I
x
V

T

E

G

G

R

R

T

A

K
|
K

D

D

V

Q

V

I

I
x
N

R

R

G

G

E

D

N
x
K

I

I

P

S

V

A

V

E

E

E

V

L

E

E

N

N

L

H

L

I

Y

M

K

A

F

H

P

P

G

G

I

V

V

H

D

D

V

A

A

A

L

V

V

V

G

G

C

M

P

P

D

D

E

A

R

T

L

M

G

G

E

E

R

R

L

T

C

C

A

A

Y

C

V

L

T

V

L

P

D

R

E

A

N

G

A

R

T

S

D

A

L

P

T

A

L

Q

E

R

Q

E

V

L

K

A

T

A

Y

F

L

L

T

T

E

D

Q

R

Q

G

L

V

S

A

K

A

N

Y

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

V

I

M

E

D

A

A

M

F

P

P

R

R

T

T

A

S

S

V

G

G

K
|
K

I

T

Q

D

K

K

F

K

K

E

L

L

active site: S193 (≠ T229), N213 (= N249), H237 (= H273), A336 (≠ T371), E337 (= E372), N437 (≠ I470), K442 (≠ N475), K524 (= K557)
binding adenosine monophosphate: G310 (= G345), S311 (≠ A346), K312 (≠ P347), V332 (≠ A367), F333 (≠ W368), G334 (= G369), M335 (= M370), A336 (≠ T371), E337 (= E372), D416 (= D449), V428 (≠ I461), K433 (= K466), K442 (≠ N475)

5wm3A Crystal structure of cahj in complex with salicyl adenylate (see paper)
30% identity, 90% coverage: 42:563/578 of query aligns to 21:530/537 of 5wm3A

query
sites
5wm3A

S

A

G

G

A

Y

W

W

N

E

D

G

K

R

I

P

I

L

T

D

D

R

Y

L

F

L

D

R

Q

E

A

R

V

A

A

A

S

A

T

D

P

P

D

D

R

R

E

I

A

A

I

L

V

V

G

-

Y

-

Q

-

V

-

T

-

S

D

D

A

T

A

R

G

N

D

A

R

L

W

T

T

Y

Y

R

A

E

E

L

L

N

D

D

R

K

H

V

A

T

D

R

R

M

Q

A

A

G

G

L

L

A

R

M

L

G

G

I

I

G

G

K

A

G

G

E

D

V

R

V

V

A

V

C

V

Q

Q

L

L

P

P

N

N

W

T

W

D

Q

A

T

F

T

V

A

V

L

L

H

F

L

F

A

A

C

L

M

L

R

R

I

A

G

G

A

A

I

V

L

P

N

V

P

L

L

T

M

L

P

P

I

A

F

H

R

R

E

E

R

S

E

E

L

I

R

V

F

H

M

V

L

A

K

E

H

T

G

A

E

G

A

A

K

T

L

A

L

Y

V

V

I

I

P

P

K

D

V

V

F

L

R

D

D

G

F

F

D

D

Y

H

E

R

A

A

M

L

V

A

D

R

G

A

I

A

R

R

G

K

E

A

L

V

P

P

A

S

L

I

E

E

T

H

L

V

L

L

V

V

I

A

G

G

G

E

E

A

G

A

E

E

R

F

S

T

F

A

E

L

Q

A

R

D

L

V

M

D

E

A

T

A

P

P

W

V

E

P

K

-

Q

-

D

-

I

-

T

-

S

-

L

-

F

L

A

A

E

E

R

P

Q

D

L

-

T

-

A

P

D

G

D

D

A

V

I

A

Q

L

I

L

L

L

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

K

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

T

S

Y

N
|
N

V

V

R

R

P

A

Y

S

A

A

D

E

R

V

L

C

H

G

L

F

T

D

S

S

D

D

D

T

K

V

V

Y

L

L

M

V

A

V

S

L

P

P

L

T

A

A

H
|
H

Q
x
N

T
x
F

G

A

F

L

M

A

Y

C

-

P

G

G

I

L

M

L

M

G

P

T

V

L

Y

M

L

V

G

G

T

G

T

T

A

V

I

V

L

L

Q

A

D

P

I

T

W

P

D

S

A

P

D

E

Y

D

V

A

C

F

K

E

V

L

I

I

G

E

A

R

E

E

K

K

P

V

A

T

F

A

T

T

M

A

A

V

T

P

P

P

F

V

L

A

A

L

D

L

L

W

V

L

K

D

T

A

A

V

P

E

K

W

H

E

E

D

G

A

E

D

L

L

D
x
S

S

S

L
|
L

R

R

I

L

F

L

V

Q

S

V

A

G

G
|
G

A
x
S

P
x
K

I

L

P

G

S

A

A

E

V

P

V

A

E

A

Q

R

A

V

G

R

K

P

V

A

L

L

K
x
G

A

C

K

T

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V

L

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

S

E

D

R

L

A

V

S

I

Q

Q

S

T

D

Q

G

G

K

R

A

P

M

L

-

S

P

P

F

D

M

D

E

E

V

I

K

R

V

V

T

V

D

D

F

E

Q

D

G

G

N

R

E

D

L

V

P

A

A

P

G

G

E

E

E

T

G

G

S

E

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

L

V

R

G

G

Y

Y

L

Y

K

R

R

A

P

P

E

E

L

H

Y

N

G

A

-

R

-

T

V

F

D

S

E

D

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

L

A

V

R

R

M

V

D

L

Q

P

D

S

A

G

Y

H

I

L

R

V

I

V

T

E

G

G

R

R

T

A

K
|
K

D

D

V

Q

V

I

I
x
N

R

R

G

G

E

D

N
x
K

I

I

P

S

V

A

V

E

E

E

V

L

E

E

N

N

L

H

L

I

Y

M

K

A

F

H

P

P

G

G

I

V

V

H

D

D

V

A

A

A

L

V

V

V

G

G

C

M

P

P

D

D

E

A

R

T

L

M

G

G

E

E

R

R

L

T

C

C

A

A

Y

C

V

L

T

V

L

P

D

R

E

A

N

G

A

R

T

S

D

A

L

P

T

A

L

Q

E

R

Q

E

V

L

K

A

T

A

Y

F

L

L

T

T

E

D

Q

R

Q

G

L

V

S

A

K

A

N

Y

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

V

I

M

E

D

A

A

M

F

P

P

R

R

T

T

A

S

S

V

G

G

K
|
K

I

T

Q

D

K

K

F

K

K

E

L

L

active site: S193 (≠ T229), N213 (= N249), H237 (= H273), A336 (≠ T371), E337 (= E372), N437 (≠ I470), K442 (≠ N475), K524 (= K557)
binding 9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine: N238 (≠ Q274), F239 (≠ T275), G310 (= G345), S311 (≠ A346), K312 (≠ P347), V332 (≠ A367), F333 (≠ W368), G334 (= G369), M335 (= M370), A336 (≠ T371), D416 (= D449), K433 (= K466), K442 (≠ N475)
binding magnesium ion: S301 (≠ D336), L303 (= L338), G326 (≠ K361)

5wm6A Crystal structure of cahj in complex with benzoyl adenylate (see paper)
30% identity, 90% coverage: 42:563/578 of query aligns to 21:530/535 of 5wm6A

query
sites
5wm6A

S

A

G

G

A

Y

W

W

N

E

D

G

K

R

I

P

I

L

T

D

D

R

Y

L

F

L

D

R

Q

E

A

R

V

A

A

A

S

A

T

D

P

P

D

D

R

R

E

I

A

A

I

L

V

V

G

-

Y

-

Q

-

V

-

T

-

S

D

D

A

T

A

R

G

N

D

A

R

L

W

T

T

Y

Y

R

A

E

E

L

L

N

D

D

R

K

H

V

A

T

D

R

R

M

Q

A

A

G

G

L

L

A

R

M

L

G

G

I

I

G

G

K

A

G

G

E

D

V

R

V

V

A

V

C

V

Q

Q

L

L

P

P

N

N

W

T

W

D

Q

A

T

F

T

V

A

V

L

L

H

F

L

F

A

A

C

L

M

L

R

R

I

A

G

G

A

A

I

V

L

P

N

V

P

L

L

T

M

L

P

P

I

A

F

H

R

R

E

E

R

S

E

E

L

I

R

V

F

H

M

V

L

A

K

E

H

T

G

A

E

G

A

A

K

T

L

A

L

Y

V

V

I

I

P

P

K

D

V

V

F

L

R

D

D

G

F

F

D

D

Y

H

E

R

A

A

M

L

V

A

D

R

G

A

I

A

R

R

G

K

E

A

L

V

P

P

A

S

L

I

E

E

T

H

L

V

L

L

V

V

I

A

G

G

G

E

E

A

G

A

E

E

R

F

S

T

F

A

E

L

Q

A

R

D

L

V

M

D

E

A

T

A

P

P

W

V

E

P

K

-

Q

-

D

-

I

-

T

-

S

-

L

-

F

L

A

A

E

E

R

P

Q

D

L

-

T

-

A

P

D

G

D

D

A

V

I

A

Q

L

I

L

L

L

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

K

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

T

S

Y

N
|
N

V

V

R

R

P

A

Y

S

A

A

D

E

R

V

L

C

H

G

L

F

T

D

S

S

D

D

D

T

K

V

V

Y

L

L

M

V

A

V

S

L

P

P

L

T

A

A

H
|
H

Q

N

T
x
F

G

A

F

L

M

A

Y

C

-

P

G

G

I

L

M

L

M

G

P

T

V

L

Y

M

L

V

G

G

T

G

T

T

A

V

I

V

L

L

Q

A

D

P

I

T

W

P

D

S

A

P

D

E

Y

D

V

A

C

F

K

E

V

L

I

I

G

E

A

R

E

E

K

K

P

V

A

T

F

A

T

T

M

A

A

V

T

P

P

P

F

V

L

A

A

L

D

L

L

W

V

L

K

D

T

A

A

V

P

E

K

W

H

E

E

D

G

A

E

D

L

L

D
x
S

S

S

L
|
L

R

R

I

L

F

L

V

Q

S

V

A

G

G
|
G

A
x
S

P
x
K

I

L

P

G

S

A

A

E

V

P

V

A

E

A

Q

R

A

V

G

R

K

P

V

A

L

L

K
x
G

A

C

K

T

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V

L

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

S

E

D

R

L

A

V

S

I

Q

Q

S

T

D

Q

G

G

K

R

A

P

M

L

-

S

P

P

F

D

M

D

E

E

V

I

K

R

V

V

T

V

D

D

F

E

Q

D

G

G

N

R

E

D

L

V

P

A

A

P

G

G

E

E

E

T

G

G

S

E

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

L

V

R

G

G

Y

Y

L

Y

K

R

R

A

P

P

E

E

L

H

Y

N

G

A

-

R

-

T

V

F

D

S

E

D

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

L

A

V

R

R

M

V

D

L

Q

P

D

S

A

G

Y

H

I

L

R

V

I

V

T

E

G

G

R

R

T

A

K
|
K

D

D

V

Q

V

I

I
x
N

R

R

G

G

E

D

N
x
K

I

I

P

S

V

A

V

E

E

E

V

L

E

E

N

N

L

H

L

I

Y

M

K

A

F

H

P

P

G

G

I

V

V

H

D

D

V

A

A

A

L

V

V

V

G

G

C

M

P

P

D

D

E

A

R

T

L

M

G

G

E

E

R

R

L

T

C

C

A

A

Y

C

V

L

T

V

L

P

D

R

E

A

N

G

A

R

T

S

D

A

L

P

T

A

L

Q

E

R

Q

E

V

L

K

A

T

A

Y

F

L

L

T

T

E

D

Q

R

Q

G

L

V

S

A

K

A

N

Y

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

V

I

M

E

D

A

A

M

F

P

P

R

R

T

T

A

S

S

V

G

G

K
|
K

I

T

Q

D

K

K

F

K

K

E

L

L

active site: S193 (≠ T229), N213 (= N249), H237 (= H273), A336 (≠ T371), E337 (= E372), N437 (≠ I470), K442 (≠ N475), K524 (= K557)
binding magnesium ion: S301 (≠ D336), L303 (= L338), G326 (≠ K361)
binding 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine: F239 (≠ T275), G310 (= G345), S311 (≠ A346), K312 (≠ P347), V332 (≠ A367), F333 (≠ W368), G334 (= G369), M335 (= M370), A336 (≠ T371), D416 (= D449), K433 (= K466), K442 (≠ N475)

5wm5A Crystal structure of cahj in complex with 5-methylsalicyl adenylate (see paper)
30% identity, 90% coverage: 42:563/578 of query aligns to 21:528/533 of 5wm5A

query
sites
5wm5A

S

A

G

G

A

Y

W

W

N

E

D

G

K

R

I

P

I

L

T

D

D

R

Y

L

F

L

D

R

Q

E

A

R

V

A

A

A

S

A

T

D

P

P

D

D

R

R

E

I

A

A

I

L

V

V

G

-

Y

-

Q

-

V

-

T

-

S

D

D

A

T

A

R

G

N

D

A

R

L

W

T

T

Y

Y

R

A

E

E

L

L

N

D

D

R

K

H

V

A

T

D

R

R

M

Q

A

A

G

G

L

L

A

R

M

L

G

G

I

I

G

G

K

A

G

G

E

D

V

R

V

V

A

V

C

V

Q

Q

L

L

P

P

N

N

W

T

W

D

Q

A

T

F

T

V

A

V

L

L

H

F

L

F

A

A

C

L

M

L

R

R

I

A

G

G

A

A

I

V

L

P

N

V

P

L

L

T

M

L

P

P

I

A

F

H

R

R

E

E

R

S

E

E

L

I

R

V

F

H

M

V

L

A

K

E

H

T

G

A

E

G

A

A

K

T

L

A

L

Y

V

V

I

I

P

P

K

D

V

V

F

L

R

D

D

G

F

F

D

D

Y

H

E

R

A

A

M

L

V

A

D

R

G

A

I

A

R

R

G

K

E

A

L

V

P

P

A

S

L

I

E

E

T

H

L

V

L

L

V

V

I

A

G

G

G

E

E

A

G

A

E

E

R

F

S

T

F

A

E

L

Q

A

R

D

L

V

M

D

E

A

T

A

P

P

W

V

E

P

K

-

Q

-

D

-

I

-

T

-

S

-

L

-

F

L

A

A

E

E

R

P

Q

D

L

-

T

-

A

P

D

G

D

D

A

V

I

A

Q

L

I

L

L

L

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

K

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

T

S

Y

N
|
N

V

V

R

R

P

A

Y

S

A

A

D

E

R

V

L

C

H

G

L

F

T

D

S

S

D

D

D

T

K

V

V

Y

L

L

M

V

A

V

S

L

P

P

L

T

A

A

H
|
H

Q
x
N

T
x
F

G

A

F

L

M

A

Y

C

-

P

G

G

I

L

M

L

M

G

P

T

V

L

Y

M

L

V

G

G

T

G

T

T

A

V

I

V

L

L

Q

A

D

P

I

T

W

P

D

S

A

P

D

E

Y

D

V

A

C

F

K

E

V

L

I

I

G

E

A

R

E

E

K

K

P

V

A

T

F

A

T

T

M

A

A

V

T

P

P

P

F

V

L

A

A

L

D

L

L

W

V

L

K

D

T

A

A

V

P

E

K

W

H

E

E

D

G

A

E

D

L

L

D

S

S

S

L

L

R

R

I

L

F

L

V

Q

S

V

A
x
G

G
|
G

A
x
S

P
x
K

I

L

P

G

S

A

A

E

V

P

V

A

E

A

Q

R

A

V

G

R

K

P

V

A

L

L

K

G

A

C

K

T

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V
x
L

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

S

E

D

R

L

A

V

S

I

Q

Q

S

T

D

Q

G

G

K

R

A

P

M

L

-

S

P

P

F

D

M

D

E

E

V

I

K

R

V

V

T

V

D

D

F

E

Q

D

G

G

N

R

E

D

L

V

P

A

A

P

G

G

E

E

E

T

G

G

S

E

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

L

V

R

G

G

Y

Y

L

Y

K

R

R

A

P

P

E

E

L

H

Y

N

G

A

-

R

-

T

V

F

D

S

E

D

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

L

A

V

R

R

M

V

D

L

Q

P

D

S

A

G

Y

H

I

L

R

V

I

V

T

E

G

G

R

R

T

A

K
|
K

D

D

V

Q

V

I

I
x
N

R

R

G

G

E

D

N
x
K

I

I

P

S

V

A

V

E

E

E

V

L

E

E

N

N

L

H

L

I

Y

M

K

A

F

H

P

P

G

G

I

V

V

H

D

D

V

A

A

A

L

V

V

V

G

G

C

M

P

P

D

D

E

A

R

T

L

M

G

G

E

E

R

R

L

T

C

C

A

A

Y

C

V

L

T

V

L

P

D

R

E

A

N

G

A

R

T

S

D

A

L

P

T

A

L

Q

E

R

Q

E

V

L

K

A

T

A

Y

F

L

L

T

T

E

D

Q

R

Q

G

L

V

S

A

K

A

N

Y

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

V

I

M

E

D

A

A

M

F

P

P

R

R

T

T

A

-

S

-

G

G

K
|
K

I

T

Q

D

K

K

F

K

K

E

L

L

active site: S193 (≠ T229), N213 (= N249), H237 (= H273), A336 (≠ T371), E337 (= E372), N437 (≠ I470), K442 (≠ N475), K522 (= K557)
binding 9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine: H237 (= H273), N238 (≠ Q274), F239 (≠ T275), G309 (≠ A344), G310 (= G345), S311 (≠ A346), K312 (≠ P347), V332 (≠ A367), F333 (≠ W368), G334 (= G369), M335 (= M370), A336 (≠ T371), L340 (≠ V376), D416 (= D449), K433 (= K466), K442 (≠ N475)

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)
31% identity, 85% coverage: 73:566/578 of query aligns to 25:496/503 of P9WQ37

query
sites
P9WQ37

T

S

S

T

D

D

T

V

R

R

N

-

A

-

L

M

T

T

Y

Y

R

A

E

Q

L

M

N

N

D

A

K

L

V

A

T

N

R

R

M

C

A

A

A

D

G

V

L

L

A

T

A

A

M

L

G

G

I

I

G

A

K

K

G

G

E

D

V

R

V

V

A

A

C

L

Q

L

L

M

P

P

N

N

W

S

W

V

Q

E

T

F

T

C

A

C

L

L

H

F

L

Y

A

G

C

A

M

A

R

K

I

L

G

G

A

A

I

V

L

A

N

V

P

P

L

I

M

N

P

T

I

R

F

L

R

A

E

A

R

P

E

E

L

V

R

S

F

F

M

I

L

L

K

S

H

D

G

S

E

G

A

S

K

K

L

V

V

I

I

-

P

-

K

-

V

-

F

-

R

-

D

-

F

-

D

-

Y

Y

E

G

A

A

-

P

-

S

-

A

-

P

M

V

V

I

D

D

G

A

I

I

R

R

G

A

E

Q

L

A

P

D

A

P

L

P

E

G

T

T

L

-

V

V

I

T

G

D

G

W

E

I

G

G

E

A

R

D

S

S

F

L

E

A

Q

E

R

R

L

L

M

R

E

S

T

A

P

A

W

A

E

D

K

E

Q

P

Q

A

D

-

I

-

T

-

S

-

L

-

F

-

A

-

E

-

R

V

Q

E

L

C

T

G

A

G

D

D

A

N

I

L

Q

F

I

I

L

M

Y

Y

T

T

S

S

G

G

T

T

G

G

E

H

P

P

K
|
K

G

G

V

V

M

V

H

H

T

T

S

H

N

E

T

S

L

V

F

H

S

S

N

A

V

A

R

S

P

S

Y

W

A

A

D

S

R

T

L

I

H

D

L

V

T
x
R

S

Y

D
x
R

D

D

K

R

V

L

L

L

M

L

A

P

S

L

P

P

L

M

A

F

H

H

Q

-

T
x
V

G

A

F
x
A

M

L

Y

T

G
x
T

I

V

M

I

M

F

P

S

V

A

Y

M

L

R

G

G

T

V

T

T

A

L

I

I

L

S

Q

M

D

P

I

Q

W

F

D

D

A

A

D

T

Y

K

V

V

C

W

K

S

V

L

I

I

G

V

A

E

E

E

K
x
R

P

V

A

C

F

I

T

G

M

-

A

G

A

A

T

V

P

P

F

A

L

I

A

L

D

N

L

F

V

M

K

R

T

Q

A

V

P

P

K

E

H

F

E

-

G

A

E

E

L

L

D

D

S

A

-

P

-

D

L

F

R

R

I

Y

F

F

V

I

S

T

A

G

G

G

A

A

P

P

I

M

P

P

S

E

A

A

V

L

V

I

E

-

Q

-

A

-

G

-

K

K

V

I

L

Y

K

A

A

A

K

K

-

N

-

I

-

E

I

V

V

V

S

Q

A

G

W

Y

G
x
A

M

L

T

T

E

E

N

S

-

C

G

G

A

G

V

G

T

T

M

L

T

L

C

L

P

S

E

E

D

D

P

-

A

A

E

L

R

R

A

K

S

A

Q

G

S

S

D

A

G

G

K

R

A

A

M

T

P

M

F

F

M

T

E

D

V

V

K

A

V

V

T

R

D

G

F

D

Q

D

G

G

N

V

E

I

L

R

P

E

A

H

G

G

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E

E

-

G

G

S

E

L

V

V

I

R

K

G

S

S

D

S

I

L

L

F

L

V

K

G

E

Y

Y

L

W

K

N

R

R

P

P

E

E

L

A

Y

T

-

R

G

D

V

A

D

F

E

D

S

N

G

G

W
|
W

F

F

N

R

T

T

G

G

D
|
D

L

I

A

G

R

E

M

I

D

D

Q

D

D

E

A

G

Y

Y

I

L

R

Y

I

I

T

K

G

D

R
|
R

T

L

K

K

D

D

V

M

V

I

I

I

R
x
S

G

G

G
|
G

E

E

N

N

I

V

P

Y

V

P

V

A

E

E

V

I

E

E

N

S

L

V

L

I

Y

I

K

G

F

V

P

P

G

G

I

V

V

S

D

E

V

V

A

A

L

V

V

I

G

G

C

L

P

P

D

D

E

E

R

K

L

W

G

G

E

E

R

I

L

A

C

A

A

A

Y

I

V

V

T

V

L

A

D

D

E

Q

N

N

A

-

T

-

D

E

L

V

T

S

L

E

E

Q

Q

Q

V

I

K

V

T

E

Y

Y

L

C

T

G

E

-

Q

T

Q

R

L

L

S

A

K

R

N

Y

Y

K

L

L

P

P

E

K

Y

K

L

V

E

I

V

F

I

A

E

E

A

A

M

I

P

P

R

R

T

N

A

P

S

T

G

G

K
|
K

I

I

Q

L

K

K

F

T

K

V

L

L

R

R

E

E

Q

Q

K172 (= K237) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Slight increase of susceptibility to proteolysis.
R195 (≠ T260) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.
R197 (≠ D262) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-195 and A-244.
V209 (≠ T275) 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 (≠ F277) mutation to G: Slight increase of the fatty acyl-CoA ligase activity. Reduced rate of proteolytic degradation.
T214 (≠ G280) 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 (≠ K310) mutation to A: Alteration of the strength of the membrane binding; when associated with A-17; A-195; A-195 and A-197.
A302 (≠ G369) 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 (= W444) 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 (= D449) 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 (= R464) mutation to A: Reduction of binding affinity for fatty acids.
S404 (≠ R471) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Enhanced affinity towards palmitic acid binding.
G406 (= G473) mutation to L: No effect on the formation of acyl-adenylate intermediate. However, it shows very poor catalytic efficiency to form acyl-CoA.
K487 (= K557) 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.

5wm4A Crystal structure of cahj in complex with 6-methylsalicyl adenylate (see paper)
29% identity, 89% coverage: 42:557/578 of query aligns to 21:524/534 of 5wm4A

query
sites
5wm4A

S

A

G

G

A

Y

W

W

N

E

D

G

K

R

I

P

I

L

T

D

D

R

Y

L

F

L

D

R

Q

E

A

R

V

A

A

A

S

A

T

D

P

P

D

D

R

R

E

I

A

A

I

L

V

V

G

-

Y

-

Q

-

V

-

T

-

S

D

D

A

T

A

R

G

N

D

A

R

L

W

T

T

Y

Y

R

A

E

E

L

L

N

D

D

R

K

H

V

A

T

D

R

R

M

Q

A

A

G

G

L

L

A

R

M

L

G

G

I

I

G

G

K

A

G

G

E

D

V

R

V

V

A

V

C

V

Q

Q

L

L

P

P

N

N

W

T

W

D

Q

A

T

F

T

V

A

V

L

L

H

F

L

F

A

A

C

L

M

L

R

R

I

A

G

G

A

A

I

V

L

P

N

V

P

L

L

T

M

L

P

P

I

A

F

H

R

R

E

E

R

S

E

E

L

I

R

V

F

H

M

V

L

A

K

E

H

T

G

A

E

G

A

A

K

T

L

A

L

Y

V

V

I

I

P

P

K

D

V

V

F

L

R

D

D

G

F

F

D

D

Y

H

E

R

A

A

M

L

V

A

D

R

G

A

I

A

R

R

G

K

E

A

L

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P

P

A

S

L

I

E

E

T

H

L

V

L

L

V

V

I

A

G

G

G

E

E

A

G

A

E

E

R

F

S

T

F

A

E

L

Q

A

R

D

L

V

M

D

E

A

T

A

P

P

W

V

E

P

K

-

Q

-

D

-

I

-

T

-

S

-

L

-

F

L

A

A

E

E

R

P

Q

D

L

-

T

-

A

P

D

G

D

D

A

V

I

A

Q

L

I

L

L

L

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

K

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

T

S

Y

N
|
N

V

V

R

R

P

A

Y

S

A

A

D

E

R

V

L

C

H

G

L

F

T

D

S

S

D

D

D

T

K

V

V

Y

L

L

M

V

A

V

S

L

P

P

L

T

A

A

H
|
H

Q
x
N

T
x
F

G

A

F

L

M

A

Y
x
C

-

P

G

G

I

L

M

L

M

G

P

T

V

L

Y

M

L

V

G

G

T

G

T

T

A

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E

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K

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A

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A

A

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P

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F

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A

A

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V

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D

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A

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A

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D

L

L

D

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S

L

L

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R

I

L

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L

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A
x
G

G
|
G

A
x
S

P
x
K

I

L

P

G

S

A

A

E

V

P

V

A

E

A

Q

R

A

V

G

R

K

P

V

A

L

L

K

G

A

C

K

T

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V
x
L

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

S

E

D

R

L

A

V

S

I

Q

Q

S

T

D

Q

G

G

K

R

A

P

M

L

-

S

P

P

F

D

M

D

E

E

V

I

K

R

V

V

T

V

D

D

F

E

Q

D

G

G

N

R

E

D

L

V

P

A

A

P

G

G

E

E

E

T

G

G

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E

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

L

V

R

G

G

Y

Y

L

Y

K

R

R

A

P

P

E

E

L

H

Y

N

G

A

-

R

-

T

V

F

D

S

E

D

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

L

A

V

R

R

M

V

D

L

Q

P

D

S

A

G

Y

H

I

L

R

V

I

V

T

E

G

G

R

R

T

A

K
|
K

D

D

V

Q

V

I

I
x
N

R

R

G

G

E

D

N
x
K

I

I

P

S

V

A

V

E

E

E

V

L

E

E

N

N

L

H

L

I

Y
x
M

K

A

F
x
H

P

P

G

G

I
x
V

V

H

D

D

V

A

A

A

L

V

V

V

G

G

C

M

P

P

D

D

E

A

R

T

L

M

G

G

E

E

R

R

L

T

C

C

A

A

Y

C

V

L

T

V

L

P

D

R

E

A

N

G

A

R

T

S

D

A

L

P

T

A

L

Q

E

R

Q

E

V

L

K

A

T

A

Y

F

L

L

T

T

E

D

Q

R

Q

G

L

V

S

A

K

A

N

Y

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

V

I

M

E

D

A

A

M

F

P

P

R

R

T

T

A
x
K

S

T

G

D

K

K

active site: S193 (≠ T229), N213 (= N249), H237 (= H273), A336 (≠ T371), E337 (= E372), N437 (≠ I470), K442 (≠ N475), K521 (≠ A554)
binding 9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine: N238 (≠ Q274), F239 (≠ T275), C243 (≠ Y279), G309 (≠ A344), G310 (= G345), S311 (≠ A346), K312 (≠ P347), V332 (≠ A367), F333 (≠ W368), G334 (= G369), M335 (= M370), A336 (≠ T371), L340 (≠ V376), D416 (= D449), K433 (= K466), K442 (≠ N475)
binding magnesium ion: M453 (≠ Y486), H455 (≠ F488), V458 (≠ I491)

P10378 Enterobactin synthase component E; 2,3-dihydroxybenzoate-AMP ligase; DHB-AMP ligase; 2,3-dihydroxybenzoate-AMP synthase; Dihydroxybenzoic acid-activating enzyme; Enterochelin synthase E; EC 6.3.2.14; EC 6.2.1.71 from Escherichia coli (strain K12) (see 3 papers)
29% identity, 94% coverage: 25:565/578 of query aligns to 1:528/536 of P10378

query
sites
P10378

M

M

D

S

T

I

G

P

I

F

T

T

L

R

N

W

P

P

E

E

R

E

R

F

A

A

A

R

M

R

I

Y

K

R

-

E

S

K

G

G

A

Y

W

W

N

Q

D

D

K

L

I

P

I

L

T

T

D

D

Y

I

F

L

D

T

Q

R

A

H

V

A

A

A

S

S

T

-

P

-

D

D

R

S

E

I

A

A

I

V

V

I

G

-

Y

-

Q

-

V

-

T

-

S

-

D

D

T

G

R

E

N

R

A

Q

L

L

T

S

Y

Y

R

R

E

E

L

L

N

N

D

Q

K

A

V

A

T

D

R

N

M

L

A

A

A

C

G

S

L

L

A

R

M

Q

G

G

I

I

G

K

K

P

G

G

E

E

V

T

V

A

A

L

C

V

Q

Q

L

L

P

G

N

N

W

V

W

A

Q

E

T

L

T

Y

A

I

L

T

H

F

L

F

A

A

C

L

M

L

R

K

I

L

G

G

A

-

I

-

L

V

N

A

P

P

L

V

M

L

P

A

I

L

F

F

R

S

E

H

R

Q

-

R

-

S

E

E

L

L

R

N

F

A

M

Y

L

A

K

S

H

Q

G

I

E

E

A

P

K

A

L

L

V

I

I

A

P

D

K

R

V

Q

F

H

R

A

D

L

F

F

D

S

Y

G

E

D

A

D

M

F

V

L

D

N

G

T

I

F

R

V

G

T

E

E

L

H

P

S

A

S

L

I

E

R

T

V

L

V

L

Q

V

L

I

L

G

N

G

D

E

S

G

G

E

E

R

H

S

N

F

L

E

-

Q

Q

R

D

L

A

M

I

E

N

T

H

P

P

W

A

E

E

K

D

Q

-

D

-

I

-

T

-

S

-

L

-

F

F

A

T

E

A

R

T

Q

P

L

S

T

P

A

A

D

D

D

E

A

V

I

A

Q

Y

I

F

L

Q

Y

L

T

S

S

G

G

G

T

T

G

G

E

T

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

N

T

D

L

Y

F

Y

S

Y

N

S

V

V

R

R

P

R

Y

S

A

V

D

E

R

I

L

C

H

Q

L

F

T

T

S

Q

D

Q

D

T

K

R

V

Y

L

L

M

C

A

A

S

I

P

P

L

A

A

A

H

H

Q
x
N

T

Y

G

A

F

M

M

S

Y
x
S

G

P

I

G

M

S

M

L

P

G

V

V

Y

F

L

L

-

A

G

G

T

G

T

T

A

V

I

V

L

L

Q

A

D

A

I

D

W

P

D

S

A

A

D

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Y

L

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C

C

F

K

P

V

L

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I

G

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A

K

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K

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A

N

F

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T

M

A

A

L

A

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T

P

P

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A

L

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A

S

D

L

L

W

V

L

K

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T

A

A

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P

I

K

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G

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-

S

-

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G

A

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Q

L

L

D

A

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S

L

L

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K

I

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F

L

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A

G

G
|
G

A

A

P

R

I

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S

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L

V

A

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A

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A

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A

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K

G

A

C

K

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x
V

W

F

G

G

M

M

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x
A

E

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N

-

G

G

A

L

V

V

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N

M

Y

T

T

C

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L

E

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D

D

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A

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A

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G

G

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Y

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M

M

-

C

P

P

F

D

M

D

E

E

V

V

K

W

V

V

T

A

D

D

F

A

Q

E

G

G

N

N

E

P

L

L

P

P

A

Q

G

G

E

E

E

V

G

G

S

R

L

L

L

M

V

T

R

R

G

G

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P

S

Y

L

T

F

F

V

R

G

G

Y

Y

L

Y

K

K

R

S

P

P

E

Q

-

H

-

N

L

A

Y

S

G

A

V

F

D

D

E

A

S

N

G

G

W

F

F

Y

N

C

T

S

G

G

D
|
D

L

L

A

I

R

S

M

I

D

D

Q

P

D

E

A

G

Y

Y

I

I

R

T

I

V

T

Q

G

G

R

R

T

E

K
|
K

D

D

V

Q

V

I

I

N

R
|
R

G
|
G

E

E

N
x
K

I

I

P

A

V

A

V

E

E

E

V

I

E

E

N

N

L

L

Y

L

K

R

F

H

P

P

G

A

I

V

V

I

D

Y

V

A

A

A

L

L

V

V

G

S

C

M

P

E

D

D

E

E

R

L

L

M

G

G

E

E

R
x
K

L

S

C

C

A

A

Y

Y

V

L

T

V

L

V

D

K

E

E

N

-

A

-

T

-

D

P

L

L

T

R

L

A

E

V

Q

Q

V

V

K

R

T

R

Y

F

L

L

T
x
R

E

E

Q

Q

Q

G

L

I

S

A

K

E

N

F

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

C

I

V

E

D

A

S

M

L

P

P

R

L

T

T

A

A

S

V

G

G

K

K

I

V

Q

D

K

K

F

K

K

Q

L

L

R

R

E

Q

N235 (≠ Q274) binding
S240 (≠ Y279) binding
G309 (= G345) binding
V331 (≠ A367) binding
A335 (≠ T371) binding
D415 (= D449) binding
K432 (= K466) binding
R437 (= R471) mutation to D: Catalyzes the adenylation reaction with 10% reduction of activity compared to the wild-type. 3% reduction of activity compared to the wild-type; when associated with D-473.
GG 438:439 (= GG 472:473) Phosphopantetheine binding
K441 (≠ N475) binding
K473 (≠ R507) mutation to D: Catalyzes the adenylation reaction with same activity as the wild-type. 3% reduction of activity compared to the wild-type; when associated with D-437.
R494 (≠ T531) mutation to D: Catalyzes the adenylation reaction with same activity as the wild-type.

3rg2C Structure of a two-domain nrps fusion protein containing the ente adenylation domain and entb aryl-carrier protein from enterobactin biosynthesis (see paper)
29% identity, 94% coverage: 25:565/578 of query aligns to 1:528/613 of 3rg2C

query
sites
3rg2C

M

M

D

S

T

I

G

P

I

F

T

T

L

R

N

W

P

P

E

E

R

E

R

F

A

A

A

R

M

R

I

Y

K

R

-

E

S

K

G

G

A

Y

W

W

N

Q

D

D

K

L

I

P

I

L

T

T

D

D

Y

I

F

L

D

T

Q

R

A

H

V

A

A

A

S

S

T

-

P

-

D

D

R

S

E

I

A

A

I

V

V

I

G

-

Y

-

Q

-

V

-

T

-

S

-

D

D

T

G

R

E

N

R

A

Q

L

L

T

S

Y

Y

R

R

E

E

L

L

N

N

D

Q

K

A

V

A

T

D

R

N

M

L

A

A

A

C

G

S

L

L

A

R

M

Q

G

G

I

I

G

K

K

P

G

G

E

E

V

T

V

A

A

L

C

V

Q

Q

L

L

P

G

N

N

W

V

W

A

Q

E

T

L

T

Y

A

I

L

T

H

F

L

F

A

A

C

L

M

L

R

K

I

L

G

G

A

-

I

-

L

V

N

A

P

P

L

V

M

L

P

A

I

L

F

F

R

S

E

H

R

Q

-

R

-

S

E

E

L

L

R

N

F

A

M

Y

L

A

K

S

H

Q

G

I

E

E

A

P

K

A

L

L

V

I

I

A

P

D

K

R

V

Q

F

H

R

A

D

L

F

F

D

S

Y

G

E

D

A

D

M

F

V

L

D

N

G

T

I

F

R

V

G

T

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E

L

H

P

S

A

S

L

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V

L

V

L

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V

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G

N

G

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G

G

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N

F

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Q

Q

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D

L

A

M

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N

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P

P

W

A

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D

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-

D

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-

L

-

F

F

A

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A

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P

L

S

T

P

A

A

D

D

D

E

A

V

I

A

Q

Y

I

F

L

Q

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

T

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

N

T

D

L

Y

F

Y

S

Y

N
x
S

V

V

R

R

P

R

Y

S

A

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D

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L

C

H

Q

L

F

T

T

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D

Q

D

T

K

R

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Y

L

L

M

C

A

A

S

I

P
|
P

L

A

A

A

H
|
H

Q
x
N

T
x
Y

G

A

F

M

M

S

Y

S

G

P

I

G

M

S

M

L

P

G

V

V

Y

F

L

L

-

A

G

G

T

G

T

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V

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V

L

L

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A

D

A

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D

W

P

D

S

A

A

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C

C

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K

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V

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K

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A

N

F

V

T

T

M

A

A

L

A
x
V

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P

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A

L

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A

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D

L

L

W

V

L

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Q

T

A

A

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K

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H

G

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-

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-

R

G

A

E

Q

L

L

D

A

S

S

L

L

R

K

I

L

F

L

V

Q

S

V

A

G

G
|
G

A
|
A

P
x
R

I

L

P

S

S

A

A

T

V

L

V

A

E

A

Q

R

A

I

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K

A

V

E

L

I

K

G

A

C

K

Q

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V

V

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

S

A

A

E

E

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K

A

I

S

I

Q

H

S

T

D

Q

G

G

K

Y

A

P

M

M

-

C

P

P

F

D

M

D

E

E

V

V

K

W

V

V

T

A

D

D

F

A

Q

E

G

G

N

N

E

P

L

L

P

P

A

Q

G

G

E

E

E

V

G

G

S

R

L

L

L

M

V

T

R

R

G

G

S

P

S

Y

L

T

F

F

V

R

G

G

Y

Y

L

Y

K

K

R

S

P

P

E

Q

-

H

-

N

L

A

Y

S

G

A

V

F

D

D

E

A

S

N

G

G

W

F

F

Y

N

C

T

S

G

G

D
|
D

L

L

A

I

R

S

M

I

D

D

Q

P

D

E

A

G

Y

Y

I

I

R

T

I
x
V

T

Q

G

G

R

R

T

E

K

K

D

D

V

Q

V

I

I
x
N

R

R

G
|
G

E

E

N
x
K

I

I

P

A

V

A

V

E

E

E

V

I

E

E

N

N

L

L

Y

L

K

R

F

H

P

P

G

A

I

V

V

I

D

Y

V

A

A

A

L

L

V

V

G

S

C

M

P

E

D

D

E

E

R

L

L

M

G

G

E

E

R

K

L

S

C

C

A

A

Y

Y

V

L

T

V

L

V

D

K

E

E

N

-

A

-

T

-

D

P

L

L

T

R

L

A

E

V

Q

Q

V

V

K

R

T

R

Y

F

L

L

T

R

E

E

Q

Q

Q

G

L

I

S

A

K

E

N

F

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

C

I

V

E

D

A

S

M

L

P

P

R

L

T

T

A

A

S

V

G

G

K
|
K

I

V

Q

D

K

K

F

K

K

Q

L

L

R

R

E

Q

active site: S190 (≠ T229), S210 (≠ N249), H234 (= H273), A335 (≠ T371), E336 (= E372), N436 (≠ I470), K441 (≠ N475), K520 (= K557)
binding 4'-phosphopantetheine: P231 (= P270), V279 (≠ A317), G438 (= G472), G439 (= G473)
binding 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine: N235 (≠ Q274), Y236 (≠ T275), G309 (= G345), A310 (= A346), R311 (≠ P347), V331 (≠ A367), F332 (≠ W368), G333 (= G369), M334 (= M370), A335 (≠ T371), D415 (= D449), V427 (≠ I461)

6e97B Crystal structure of the aryl acid adenylating enzyme fscc from fuscachelin nrps in complex with dhb-adenylate
29% identity, 91% coverage: 41:566/578 of query aligns to 15:531/537 of 6e97B

query
sites
6e97B

K

E

S

A

G

G

A

Y

W

W

N

T

D

G

K

E

I

T

I

F

T

S

D

D

Y

F

F

V

D

T

Q

D

A

R

V

T

A

R

S

R

T

F

P

A

D

D

R

R

E

L

A

A

I

V

V

V

G

G

Y

-

Q

-

V

-

T

-

S

-

D

-

T

A

R

G

N

Q

A

R

L

W

T

T

Y

Y

R

A

E

E

L

L

N

G

D

E

K

R

V

S

T

A

R

V

M

L

A

A

A

T

G

G

L

L

A

A

A

R

M

L

G

G

I

I

G

A

K

A

G

G

E

D

V

R

V

V

A

V

C

V

Q

Q

L

L

P

P

N

N

W

I

W

P

Q

E

T

L

T

F

A

E

L

V

H

V

L

F

A

A

C

L

M

F

R

R

I

L

G

G

A

A

I

L

L

P

N

V

P

Y

L

A

M

L

P

P

I

A

F

H

R

R

E

A

R

H

E

E

L

I

R

T

F

H

M

L

L

C

K

T

H

T

G

A

E

Q

A

A

K

K

L

A

L

L

V

I

I

I

P

P

K

D

V

R

F

H

R

A

D

G

F

F

D

D

Y

Y

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A

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M

M

V

A

D

A

G

Q

I

L

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G

H

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A

L

G

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T

A

A

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T

H

L

V

V

V

I

V

G

G

G

E

E

P

G

G

E

-

R

-

S

G

F

F

E

-

Q

-

R

-

L

-

M

-

E

-

T

T

P

P

W

L

-

A

E

E

K

L

Q

R

Q

A

D

D

I

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S

D

L

P

F

G

A

V

E

F

R

T

Q

R

L

P

T

E

A

A

D

S

D

D

A

A

I

A

Q

F

I

L

L

Q

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

L

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

L

S

Y

N
x
S

V

V

R

R

P

A

Y

S

A

A

D

E

R

I

L

C

H

A

L

L

T

G

S

T

D

D

D

T

K

V

V

Y

L

L

M

A

A

A

S

L

P

P

L

A

A

V

H
|
H

Q
x
N

T

-

G

-

F

-

M

-

Y
x
F

G

P

I

M

M

S

M
x
S

P

P

V

G

Y

F

L

L

G

G

T

T

-

F

-

H

-

A

-

G

T

T

A

V

I

V

L

L

Q

A

D

P

I

N

W

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D

S

A

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D

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A

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A

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F

I

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M

A

A

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P

P

F

I

L

A

A

L

-

Q

-

W

-

L

D

D

L

A

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V

K

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H

A

G

P

S

K

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D

L

L

D

S

S

S

L

L

R

R

I

V

F

L

V

Q

S

V

A

G

G
|
G

A
|
A

P
x
K

I

F

P

A

S

P

A

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V

A

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R

Q

R

A

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G

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K

P

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V

L

L

K

G

A

C

K

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I

L

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S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V

V

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

D

E

D

R

I

A

I

S

T

Q

T

S

T

D

Q

G

G

K

R

A

P

M

I

-

S

P

P

F

D

M

D

E

E

V

I

K

R

V

I

T

V

D

D

F

E

Q

A

G

D

N

R

E

P

L

V

P

P

A

D

G

G

E

E

E

V

G

G

S

H

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

I

V

R

G

G

Y

Y

L

Y

K

R

R

A

P

E

E

E

-

H

-

N

L

A

Y

T

G

A

V

F

D

T

E

P

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

L

A

V

R

R

M

R

D

T

Q

P

D

T

A

G

Y

H

I

L

R

V

I

V

T

E

G

G

R

R

T

A

K
|
K

D

D

V

Q

V

I

I
x
N

R

R

G

G

E

E

N
x
K

I

V

P

S

V

A

V

E

E

E

V

V

E

E

N

N

L

H

L

I

Y

L

K

A

F

H

P

P

G

A

I

V

V

H

D

D

V

A

A

A

L

V

V

V

G

G

C

M

P

S

D

D

E

P

R

Y

L

L

G

G

E

E

R

R

L

V

C

C

A

A

Y

Y

V

V

T

I

L

A

D

R

E

T

N

E

A

P

T

P

D

-

L

-

T

S

L

R

E

S

Q

E

V

L

K

L

T

R

Y

F

L

L

T

R

E

E

Q

R

Q

G

L

L

S

A

K

S

N

Y

Y

K

L

I

P

P

E

D

Y

R

L

V

E

E

V

F

I

V

E

D

A

R

M

F

P

P

R

V

T

T

A

G

S

V

G

G

K
|
K

I

I

Q

S

K

R

F

S

K

E

L

L

R

R

E

R

Q

E

active site: S190 (≠ T229), S210 (≠ N249), H234 (= H273), A336 (≠ T371), E337 (= E372), N437 (≠ I470), K442 (≠ N475), K522 (= K557)
binding 5'-O-[(S)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine: H234 (= H273), N235 (≠ Q274), F236 (≠ Y279), S240 (≠ M283), G310 (= G345), A311 (= A346), K312 (≠ P347), V332 (≠ A367), F333 (≠ W368), G334 (= G369), M335 (= M370), A336 (≠ T371), D416 (= D449), K433 (= K466), K442 (≠ N475)

4iz6A Structure of ente and entb, an nrps adenylation-pcp fusion protein with pseudo translational symmetry (see paper)
29% identity, 91% coverage: 41:565/578 of query aligns to 17:526/609 of 4iz6A

query
sites
4iz6A

K

E

S

K

G

G

A

Y

W

W

N

Q

D

D

K

L

I

P

I

L

T

T

D

D

Y

I

F

L

D

T

Q

R

A

H

V

A

A

A

S

S

T

-

P

-

D

D

R

S

E

I

A

A

I

V

V

I

G

-

Y

-

Q

-

V

-

T

-

S

-

D

D

T

G

R

E

N

R

A

Q

L

L

T

S

Y

Y

R

R

E

E

L

L

N

N

D

Q

K

A

V

A

T

D

R

N

M

L

A

A

A

C

G

S

L

L

A

R

M

Q

G

G

I

I

G

K

K

P

G

G

E

E

V

T

V

A

A

L

C

V

Q

Q

L

L

P

G

N

N

W

V

W

A

Q

E

T

L

T

Y

A

I

L

T

H

F

L

F

A

A

C

L

M

L

R

K

I

L

G

G

A

-

I

-

L

V

N

A

P

P

L

V

M

L

P

A

I

L

F

F

R

S

E

H

R

Q

-

R

-

S

E

E

L

L

R

N

F

A

M

Y

L

A

K

S

H

Q

G

I

E

E

A

P

K

A

L

L

V

I

I

A

P

D

K

R

V

Q

F

H

R

A

D

L

F

F

D

S

Y

G

E

D

A

D

M

F

V

L

D

N

G

T

I

F

R

V

G

T

E

E

L

H

P

S

A

S

L

I

E

R

T

V

L

V

L

Q

V

L

I

L

G

N

G

D

E

S

G

G

E

E

R

H

S

N

F

L

E

-

Q

Q

R

D

L

A

M

I

E

N

T

H

P

P

W

A

E

E

K

-

Q

-

D

D

I

F

T

T

S

A

L

-

F

-

A

-

E

-

R

-

Q

T

L

P

T

S

A

P

D

A

D

D

A

E

I

V

Q

A

I

Y

L

F

Y

Q

T

L

S
|
S

G

G

T

G

T

T

G

G

E

T

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

N

T

D

L

Y

F

Y

S

Y

N
x
S

V

V

R

R

P

R

Y

S

A

V

D

E

R

I

L

C

H

Q

L

F

T

T

S

Q

D

Q

D

T

K

R

V

Y

L

L

M

C

A

A

S

I

P
|
P

L

A

A

A

H
|
H

Q

N

T
x
Y

G

A

F

M

M

S

Y
x
S

G

P

I

G

M

S

M

L

P

G

V

V

Y

F

L

L

-

A

G

G

T

G

T

T

A

V

I

V

L

L

Q

A

D

A

I

D

W

P

D

S

A

A

D

T

Y

L

V

C

C

F

K

P

V

L

I

I

G

E

A

K

E

H

K

Q

P

V

A

N

F

V

T

T

M

A

A

L

A
x
V

T

P

P

P

F

A

L

V

A

S

D

L

L

W

V

L

K

Q

T

A

A

L

P

I

K

E

H

G

E

E

-

S

-

R

G

A

E

Q

L

L

D

A

S

S

L

L

R

K

I

L

F

L

V

Q

S

V

A

G

G
|
G

A
|
A

P
x
R

I

L

P

S

S

A

A

T

V

L

V

A

E

A

Q

R

A

I

G

P

K

A

V

E

L

I

K

G

A

C

K

Q

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V

V

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

S

A

A

E

E

R

K

A

I

S

I

Q

H

S

T

D

Q

G

G

K

Y

A

P

M

M

-

C

P

P

F

D

M

D

E

E

V

V

K

W

V

V

T

A

D

D

F

A

Q

E

G

G

N

N

E

P

L

L

P

P

A

Q

G

G

E

E

E

V

G

G

S

R

L

L

L

M

V

T

R

R

G

G

S

P

S

Y

L

T

F

F

V

R

G

G

Y

Y

L

Y

K

K

R

S

P

P

E

Q

-

H

-

N

L

A

Y

S

G

A

V

F

D

D

E

A

S

N

G

G

W

F

F

Y

N

C

T

S

G

G

D
|
D

L

L

A

I

R

S

M

I

D

D

Q

P

D

E

A

G

Y

Y

I

I

R

T

I

V

T

Q

G

G

R

R

T

E

K
|
K

D

D

V

Q

V

I

I
x
N

R

R

G
|
G

G

G

E

E

N
x
K

I

I

P

A

V

A

V

E

E

E

V

I

E

E

N

N

L

L

Y

L

K

R

F

H

P

P

G

A

I

V

V

I

D

Y

V

A

A

A

L

L

V

V

G

S

C

M

P

E

D

D

E

E

R

L

L

M

G

G

E

E

R

K

L

S

C

C

A

A

Y

Y

V

L

T

V

L

V

D

K

E

E

N

-

A

-

T

-

D

P

L

L

T

R

L

A

E

V

Q

Q

V

V

K

R

T

R

Y

F

L

L

T

R

E

E

Q

Q

Q

G

L

I

S

A

K

E

N

F

Y

K

L

L

P

P

E

D

Y

R

L

V

E

E

V

C

I

V

E

D

A

S

M

L

P

P

R

L

T

T

A

A

S

V

G

G

K
|
K

I

V

Q

D

K

K

F

K

K

Q

L

L

R

R

E

Q

active site: S189 (= S230), S208 (≠ N249), H232 (= H273), A333 (≠ T371), E334 (= E372), N434 (≠ I470), K439 (≠ N475), K518 (= K557)
binding 5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine: Y234 (≠ T275), S238 (≠ Y279), G307 (= G345), A308 (= A346), R309 (≠ P347), V329 (≠ A367), F330 (≠ W368), G331 (= G369), M332 (= M370), D413 (= D449), K430 (= K466), K439 (≠ N475)
binding 4'-phosphopantetheine: P229 (= P270), H232 (= H273), V277 (≠ A317), G436 (= G472)

7tz4A Salicylate adenylate pchd from pseudomonas aeruginosa containing 4- cyanosalicyl-ams (see paper)
28% identity, 92% coverage: 40:569/578 of query aligns to 14:529/530 of 7tz4A

query
sites
7tz4A

I

L

K

D

S

A

G

G

A

H

W

W

N

Q

D

D

K

Q

I

S

I

F

T

A

D

E

Y

A

F

L

D

A

Q

T

A

S

V

A

A

A

S

R

T

H

P

P

D

R

R

R

E

I

A

A

I

L

V

C

G

-

Y

-

Q

-

V

-

T

-

S

-

D

D

T

D

R

D

N

Q

A

R

L

L

T

S

Y

Y

R

A

E

D

L

L

N

L

D

Q

K

R

V

C

T

R

R

R

M

L

A

A

G

G

L

L

A

R

A

Q

M

A

G

G

I

L

G

A

K

H

G

G

E

D

V

T

V

V

A

V

C

L

Q

H

L

L

P

P

N

N

W

G

W

I

Q

A

T

F

T

V

A

E

L

T

H

C

L

F

A

A

C

L

M

F

R

Q

I

L

G

G

A

V

I

R

L

P

N

V

P

L

L

A

M

L

P

P

I

A

F

H

R

R

E

Q

R

H

E

E

L

I

R

S

F

G

M

F

L

C

K

R

H

F

G

A

E

E

A

A

K

K

L

A

L

Y

V

I

I

G

P

A

K

E

V

R

F

I

R

D

D

G

F

F

D

D

Y

P

E

R

A

P

M

M

V

A

D

R

G

E

I

L

R

L

G

A

E

S

L

-

P

-

A

G

L

A

E

C

T

R

L

M

L

A

V

L

I

I

G

H

G

G

E

E

G

A

E

E

R

A

S

P

F

L

E

Q

Q

A

R

L

L

A

M

P

E

L

T

Y

P

Q

W

A

E

D

K

A

Q

L

Q

E

D

D

I

C

T

A

S

A

L

-

F

-

A

-

E

-

R

-

Q

-

L

-

T

R

A

A

D

E

D

D

A

I

I

A

Q

C

I

F

L

Q

Y

L

T

S

S

G

G

G

T

T

G

G

E

T

P

P

K

K

G

L

V

I

M

P

H

R

T

R

S

H

N

R

T

E

L

Y

F

L

S

Y

N

N

V

V

R

R

P

A

Y

S

A

A

D

E

R

V

L

C

H

G

L

F

T

D

S

E

D

H

D

T

K

V

V

Y

L

L

M

T

A

G

S

L

P

P

L

M

A

A

H
|
H

Q
x
N

T

-

G

-

F

-

M

-

Y
x
F

G

T

I

L

M

C

M
x
C

P

P

V

G

Y

V

L

I

G

G

T

T

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L

-

A

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-

G

T

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V

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F

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V

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A

A

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P

P

F

L

L

A

A

M

D

L

L

W

V

L

K

D

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A

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P

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K

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H

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R

G

A

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D

L

L

D

S

S

S

L

L

R

R

I

L

F

L

V

Q

S

V

A

G

G
|
G

A
x
S

P
x
R

I

L

P

G

S

S

A

S

V

A

E

Q

Q

R

A

V

G

E

K

P

V

V

L

L

K

G

A

C

K

Q

I

L

V

Q

S

Q

A
x
V

W
x
L

G
|
G

M
|
M

T
x
A

E

E

N

-

G

G

A

L

V
x
I

T

C

M

Y

T

T

C

R

P

L

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D

D

D

P

P

A

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R

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G

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S

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M

D

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D

F

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G

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L

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S

Y

L

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R

G

G

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Y

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Y

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R

L

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P

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-

H

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N

L

A

Y

K

G

A

V

F

D

S

E

A

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

R

A

V

R

S

M

R

D

D

Q

K

D

D

A

G

Y

Y

I

L

R

V

I
x
V

T

E

G

G

R

R

T

D

K

K

D

D

V

Q

V

I

I

N

R

R

G

G

E

E

N

K

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A

V

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E

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V

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N

N

L

L

Y

I

K

A

F

H

P

P

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I

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V

H

D

D

V

A

A

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L

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V

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A

C

M

P

P

D

D

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S

R

L

L

L

G

G

E

E

R

R

L

T

C

C

A

A

Y

F

V

V

T

I

L

P

D

R

E

Q

N

P

A

A

T

P

D

S

L

A

T

L

L

-

E

-

Q

K

V

L

K

K

T

Q

Y

Y

L

L

T

H

E

A

Q

C

Q

G

L

L

S

A

K

A

N

F

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K

L

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P

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Y

R

L

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L

I

V

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A

A

M

F

P

P

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Q

T

T

A

G

S

I

G

G

K
|
K

I

I

Q

S

K

K

F

K

K

D

L

L

R

R

E

E

Q

R

A

L

R

R

N

R

binding 5'-O-[(4-cyano-2-hydroxybenzoyl)sulfamoyl]adenosine: H232 (= H273), N233 (≠ Q274), F234 (≠ Y279), C238 (≠ M283), G305 (= G345), S306 (≠ A346), R307 (≠ P347), V327 (≠ A367), L328 (≠ W368), G329 (= G369), M330 (= M370), A331 (≠ T371), I335 (≠ V376), D411 (= D449), V423 (≠ I461), K517 (= K557)

3r44A Mycobacterium tuberculosis fatty acyl coa synthetase (see paper)
30% identity, 85% coverage: 73:566/578 of query aligns to 28:496/502 of 3r44A

query
sites
3r44A

T

S

S

T

D

D

T

V

R

R

N

-

A

-

L

M

T

T

Y

Y

R

A

E

Q

L

M

N

N

D

A

K

L

V

A

T

N

R

R

M

C

A

A

A

D

G

V

L

L

A

T

A

A

M

L

G

G

I

I

G

A

K

K

G

G

E

D

V

R

V

V

A

A

C

L

Q

L

L

M

P

P

N

N

W

S

W

V

Q

E

T

F

T

C

A

C

L

L

H

F

L

Y

A

G

C

A

M

A

R

K

I

L

G

G

A

A

I

V

L

A

N

V

P

P

L

I

M

N

P

T

I

R

F

L

R

A

E

A

R

P

E

E

L

V

R

S

F

F

M

I

L

L

K

S

H

D

G

S

E

G

A

S

K

K

L

V

V

I

I

-

P

-

K

-

V

-

F

-

R

-

D

-

F

-

D

-

Y

Y

E

G

A

A

-

P

-

S

-

A

-

P

M

V

V

I

D

D

G

A

I

I

R

R

G

A

E

Q

L

A

P

D

A

P

L

P

E

G

T

T

L

-

V

V

I

T

G

D

G

W

E

I

G

G

E

A

R

D

S

S

F

L

E

A

Q

E

R

R

L

L

M

R

E

S

T

A

P

A

W

A

E

D

K

E

Q

P

Q

A

D

-

I

-

T

-

S

-

L

-

F

-

A

-

E

-

R

V

Q

E

L

C

T

G

A

G

D

D

A

N

I

L

Q

F

I

I

L

M

Y

Y

T
|
T

S

S

G

G

T

-

G

-

E

H

P

P

K

K

G

G

V

V

M

V

H

H

T

T

S

H

N
x
E

T

S

L

V

F
x
H

S

S

N
x
A

V

A

R

S

P

S

Y

W

A

A

D

S

R

T

L

I

H

D

L

V

T

R

S

Y

D

R

D

D

K

R

V

L

L

L

M

L

A

P

S

L

P

P

L

M

A

F

H
|
H

Q

V

T

A

G

A

F

-

M

L

Y

T

G

T

I

V

M

I

M

F

P

S

V

A

Y

M

L

R

G

G

T

V

T

T

A

L

I

I

L

S

Q

M

D

P

I

Q

W

F

D

D

A

A

D

T

Y

K

V

V

C

W

K

S

V

L

I

I

G

V

A

E

E

E

K

R

P

V

A

C

F

I

T

G

M

-

A

G

A

A

T

V

P

P

F

A

L

I

A

L

D

N

L

F

V

M

K

R

T

Q

A

V

P

P

K

E

H

F

E

-

G

A

E

E

L

L

D

D

S

A

-

P

-

D

L

F

R

R

I

Y

F

F

V

I

S

T

A

G

G

G

A

A

P

P

I

M

P

P

S

E

A

A

V

L

V

I

E

-

Q

-

A

-

G

-

K

K

V

I

L

Y

K

A

A

A

K

K

-

N

-

I

-

E

I

V

V

V

S

Q

A

G

W

Y

G

A

M

L

T
|
T

E
|
E

N

S

-

C

G

G

A

G

V

G

T

T

M

L

T

L

C

L

P

S

E

E

D

D

P

-

A

A

E

L

R

R

A

K

S

A

Q

G

S

S

D

A

G

G

K

R

A

A

M

T

P

M

F

F

M

T

E

D

V

V

K

A

V

V

T

R

D

G

F

D

Q

D

G

G

N

V

E

I

L

R

P

E

A

H

G

G

E

E

E

-

G

G

S

E

L

V

V

I

R

K

G

S

S

D

S

I

L

L

F

L

V

K

G

E

Y

Y

L

W

K

N

R

R

P

P

E

E

-

A

L

T

Y

R

G

D

V

A

D

F

E

D

S

N

G

G

W

W

F

F

N

R

T

T

G

G

D

D

L

I

A

G

R

E

M

I

D

D

Q

D

D

E

A

G

Y

Y

I

L

R

Y

I

I

T

K

G

D

R

R

T

L

K

K

D

D

V

M

V

I

I
|
I

R

S

G

G

E

E

N
|
N

I

V

P

Y

V

P

V

A

E

E

V

I

E

E

N

S

L

V

L

I

Y

I

K

G

F

V

P

P

G

G

I

V

V

S

D

E

V

V

A

A

L

V

V

I

G

G

C

L

P

P

D

D

E

E

R

K

L

W

G

G

E

E

R

I

L

A

C

A

A

A

Y

I

V

V

T

V

L

A

D

D

E

Q

N

N

A

-

T

-

D

E

L

V

T

S

L

E

E

Q

Q

Q

V

I

K

V

T

E

Y

Y

L

C

T

G

E

-

Q

T

Q

R

L

L

S

A

K

R

N

Y

Y

K

L

L

P

P

E

K

Y

K

L

V

E

I

V

F

I

A

E

E

A

A

M

I

P

P

R

R

T

N

A

P

S

T

G

G

K
|
K

I

I

Q

L

K

K

F

T

K

V

L

L

R

R

E

E

Q

Q

active site: T167 (= T229), A184 (≠ N249), H208 (= H273), T304 (= T371), E305 (= E372), I403 (= I470), N408 (= N475), K487 (= K557)
binding histidine: E179 (≠ N244), H182 (≠ F247)

Sites not aligning to the query:

binding histidine: 5

6e8oA Crystal structure of aryl acid adenylating enzyme fscc from fuscachelin nrps in complex with amp
29% identity, 91% coverage: 41:566/578 of query aligns to 15:530/536 of 6e8oA

query
sites
6e8oA

K

E

S

A

G

G

A

Y

W

W

N

T

D

G

K

E

I

T

I

F

T

S

D

D

Y

F

F

V

D

T

Q

D

A

R

V

T

A

R

S

R

T

F

P

A

D

D

R

R

E

L

A

A

I

V

V

V

G

G

Y

-

Q

-

V

-

T

-

S

-

D

-

T

A

R

G

N

Q

A

R

L

W

T

T

Y

Y

R

A

E

E

L

L

N

G

D

E

K

R

V

S

T

A

R

V

M

L

A

A

A

T

G

G

L

L

A

A

A

R

M

L

G

G

I

I

G

A

K

A

G

G

E

D

V

R

V

V

A

V

C

V

Q

Q

L

L

P

P

N

N

W

I

W

P

Q

E

T

L

T

F

A

E

L

V

H

V

L

F

A

A

C

L

M

F

R

R

I

L

G

G

A

A

I

L

L

P

N

V

P

Y

L

A

M

L

P

P

I

A

F

H

R

R

E

A

R

H

E

E

L

I

R

T

F

H

M

L

L

C

K

T

H

T

G

A

E

Q

A

A

K

K

L

A

L

L

V

I

I

I

P

P

K

D

V

R

F

H

R

A

D

G

F

F

D

D

Y

Y

E

R

A

T

M

M

V

A

D

A

G

Q

I

L

R

R

G

H

E

A

L

G

P

T

A

A

L

P

E

E

T

H

L

V

V

V

I

V

G

G

G

E

E

P

G

G

E

-

R

-

S

G

F

F

E

-

Q

-

R

-

L

-

M

-

E

-

T

T

P

P

W

L

-

A

E

E

K

L

Q

R

Q

A

D

D

I

R

T

P

S

D

L

P

F

G

A

V

E

F

R

T

Q

R

L

P

T

E

A

A

D

S

D

D

A

A

I

A

Q

F

I

L

L

Q

Y

L

T
x
S

S

G

G

G

T

T

G

G

E

L

P

P

K

K

G

L

V

I

M

P

H

R

T

T

S

H

N

D

T

D

L

Y

F

L

S

Y

N
x
S

V

V

R

R

P

A

Y

S

A

A

D

E

R

I

L

C

H

A

L

L

T

G

S

T

D

D

D

T

K

V

V

Y

L

L

M

A

A

A

S

L

P

P

L

A

A

V

H
|
H

Q

N

T

-

G

-

F

-

M

-

Y

F

G

P

I

M

M

S

P

P

V

G

Y

F

L

L

G

G

T

T

-

F

-

H

-

A

-

G

T

T

A

V

I

V

L

L

Q

A

D

P

I

N

W

P

D

S

A

P

D

D

Y

T

V

A

C

F

K

S

V

L

I

I

G

E

A

T

E

E

K

R

P

V

A

T

F

I

T

T

M

A

A

V

T

P

P

P

F

I

L

A

A

L

-

Q

-

W

-

L

D

D

L

A

V

V

K

E

T

H

A

G

P

S

K

Q

H

S

E

H

G

R

E

D

L

L

D

S

S

S

L

L

R

R

I

V

F

L

V

Q

S

V

A

G

G
|
G

A
|
A

P
x
K

I

F

P

A

S

P

A

E

V

A

E

R

Q

R

A

V

G

R

K

P

V

V

L

L

K

G

A

C

K

T

I

L

V

Q

S

Q

A
x
V

W
x
F

G
|
G

M
|
M

T
x
A

E
|
E

N

-

G

G

A

L

V

V

T

N

M

Y

T

T

C

R

P

L

E

D

D

D

P

P

A

D

E

D

R

I

A

I

S

T

Q

T

S

T

D

Q

G

G

K

R

A

P

M

I

-

S

P

P

F

D

M

D

E

E

V

I

K

R

V

I

T

V

D

D

F

E

Q

A

G

D

N

R

E

P

L

V

P

P

A

D

G

G

E

E

E

V

G

G

S

H

L

L

V

T

R

R

G

G

S

P

S

Y

L

T

F

I

V

R

G

G

Y

Y

L

Y

K

R

R

A

P

E

E

E

-

H

-

N

L

A

Y

T

G

A

V

F

D

T

E

P

S

D

G

G

W

F

F

Y

N

R

T

T

G

G

D
|
D

L

L

A

V

R

R

M

R

D

T

Q

P

D

T

A

G

Y

H

I

L

R

V

I
x
V

T

E

G

G

R

R

T

A

K

K

D

D

V

Q

V

I

I
x
N

R

R

G

G

E

E

N
x
K

I

V

P

S

V

A

V

E

E

E

V

V

E

E

N

N

L

H

L

I

Y

L

K

A

F

H

P

P

G

A

I

V

V

H

D

D

V

A

A

A

L

V

V

V

G

G

C

M

P

S

D

D

E

P

R

Y

L

L

G

G

E

E

R

R

L

V

C

C

A

A

Y

Y

V

V

T

I

L

A

D

R

E

T

N

E

A

P

T

P

D

-

L

-

T

S

L

R

E

S

Q

E

V

L

K

L

T

R

Y

F

L

L

T

R

E

E

Q

R

Q

G

L

L

S

A

K

S

N

Y

Y

K

L

I

P

P

E

D

Y

R

L

V

E

E

V

F

I

V

E

D

A

R

M

F

P

P

R

V

T

T

A

G

S

V

G

-

K
|
K

I

I

Q

S

K

R

F

S

K

E

L

L

R

R

E

R

Q

E

active site: S190 (≠ T229), S210 (≠ N249), H234 (= H273), A336 (≠ T371), E337 (= E372), N437 (≠ I470), K442 (≠ N475), K521 (= K557)
binding adenosine monophosphate: H234 (= H273), G310 (= G345), A311 (= A346), K312 (≠ P347), V332 (≠ A367), F333 (≠ W368), G334 (= G369), M335 (= M370), A336 (≠ T371), D416 (= D449), V428 (≠ I461), K442 (≠ N475)

4gxqA Crystal structure of atp bound rpmatb-bxbclm chimera b1 (see paper)
29% identity, 85% coverage: 78:570/578 of query aligns to 27:504/506 of 4gxqA

query
sites
4gxqA

N

D

A

K

L

I

T

S

Y

Y

R

A

E

E

L

L

N

V

D

A

K

R

V

A

T

G

R

R

M

V

A

A

A

N

G

V

L

L

A

V

A

A

M

R

G

G

I

L

G

Q

K

V

G

G

E

D

V

R

V

V

A

A

C

A

Q

Q

L

T

P

E

N

K

W

S

W

V

Q

E

T

A

T

L

A

V

L

L

H

Y

L

L

A

A

C

T

M

V

R

R

I

A

G

G

A

G

I

V

L

Y

N

L

P

P

L

L

M

N

P

T

I

A

F

Y

R

T

E

L

R

H

E

E

L

L

R

D

F

Y

M

F

L

I

K

T

H

D

G

A

E

E

A

P

K

K

L

I

L

V

V

V

I

C

P

D

K

P

V

S

F

K

R

R

D

D

F

-

D

-

Y

-

E

-

A

-

M

G

V

I

D

A

G

A

I

I

R

A

G

A

E

K

L

V

P

G

A

A

L

-

E

-

T

T

L

V

L

E

V

T

I

L

G

G

G

P

E

D

G

G

E

R

R

G

S

S

F

L

E

-

Q

-

R

-

L

-

M

-

E

-

T

T

P

D

W

A

E

A

K

A

Q

G

Q

A

D

S

I

E

T

A

S

F

L

A

F

T

A

I

E

D

R

R

Q

G

L

-

T

-

A

A

D

D

A

L

I

A

Q

A

I

I

L

L

Y

Y

T
|
T

S
|
S

G
|
G

T
|
T

G

G

E

R

P

S

K

K

G

G

V

A

M

M

H

L

T

S

S

H

N

D

T

N

L

L

F

A

S

S

N
|
N

V

S

R

L

P

T

Y

L

A

V

D

D

R

Y

L

W

H

R

L

F

T

T

S

P

D

D

K

V

V

L

L

I

M

H

A

A

S

L

P

P

L

I

A

Y

H
|
H

Q

T

T

H

G

G

F

L

M

F

Y

V

G

A

I

S

M

N

M

V

P

T

V

L

Y

F

L

A

G

R

T

G

T

S

A

M

I

I

L

F

Q

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I

K

W

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D

D

A

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D

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Y

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|
G

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M

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|
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N

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|
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|
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|
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x
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L

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I

active site: T163 (= T229), N183 (= N249), H207 (= H273), T303 (= T371), E304 (= E372), I403 (= I470), N408 (= N475), A491 (≠ K557)
binding adenosine-5'-triphosphate: T163 (= T229), S164 (= S230), G165 (= G231), T166 (= T232), T167 (= T233), H207 (= H273), S277 (≠ G345), A278 (= A346), P279 (= P347), E298 (≠ S366), M302 (= M370), T303 (= T371), D382 (= D449), R397 (= R464)
binding carbonate ion: H207 (= H273), S277 (≠ G345), R299 (≠ A367), G301 (= G369)

6iylA The structure of ente with 3-cyanobenzoyl adenylate analog (see paper)
29% identity, 88% coverage: 41:551/578 of query aligns to 16:512/521 of 6iylA

query
sites
6iylA

K

E

S

K

G

G

A

Y

W

W

N

Q

D

D

K

L

I

P

I

L

T

T

D

D

Y

I

F

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D

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Q

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A

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-

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A

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Y

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N

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Y

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L

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N

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A

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A

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A

A

A

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G

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G

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K

K

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G

G

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A

L

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Q

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L

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N

N

W

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W

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A

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|
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|
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Y

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L

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D

K

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N

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A

-

T

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D

P

L

L

T

R

L

A

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Q

V

V

K

R

T

R

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F

L

L

T

R

E

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Q

Q

G

L

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S

A

K

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N

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K

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active site: S188 (≠ T229), S208 (≠ N249), H232 (= H273), A333 (≠ T371), E334 (= E372), N434 (≠ I470), K439 (≠ N475)
binding 5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine: H232 (= H273), Y234 (≠ T275), S238 (≠ Y279), G307 (= G345), A308 (= A346), R309 (≠ P347), V329 (≠ A367), F330 (≠ W368), G331 (= G369), M332 (= M370), A333 (≠ T371), D413 (= D449), V425 (≠ I461), K430 (= K466), K439 (≠ N475)

6iykA The structure of ente with 2-nitrobenzoyl adenylate analog (see paper)
29% identity, 88% coverage: 41:551/578 of query aligns to 16:512/521 of 6iykA

query
sites
6iykA

K

E

S

K

G

G

A

Y

W

W

N

Q

D

D

K

L

I

P

I

L

T

T

D

D

Y

I

F

L

D

T

Q

R

A

H

V

A

A

A

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-

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D

D

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E

I

A

A

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V

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Y

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D

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N

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Y

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L

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N

D

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A

A

A

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L

L

A

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G

I

I

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K

P

G

G

E

E

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V

A

A

L

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Q

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L

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G

N

N

W

V

W

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L

T

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A

I

L

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H

F

L

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A

A

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L

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K

I

L

G

G

A

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I

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A

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|
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|
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|
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A

L

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active site: S188 (≠ T229), S208 (≠ N249), H232 (= H273), A333 (≠ T371), E334 (= E372), N434 (≠ I470), K439 (≠ N475)
binding 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine: H232 (= H273), G233 (≠ Q274), Y234 (≠ T275), G307 (= G345), A308 (= A346), R309 (≠ P347), V329 (≠ A367), F330 (≠ W368), G331 (= G369), M332 (= M370), A333 (≠ T371), D413 (= D449), V425 (≠ I461), K439 (≠ N475)

7tybA Salicylate adenylate pchd from pseudomonas aeruginosa containing salicyl-ams (see paper)
28% identity, 92% coverage: 40:568/578 of query aligns to 13:523/523 of 7tybA

query
sites
7tybA

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binding 5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine: H227 (= H273), N228 (≠ Q274), F229 (≠ Y279), C233 (≠ M283), G300 (= G345), S301 (≠ A346), R302 (≠ P347), V322 (≠ A367), L323 (≠ W368), G324 (= G369), M325 (= M370), A326 (≠ T371), Q346 (≠ D392), D406 (= D449), V418 (≠ I461), R421 (= R464), K512 (= K557)

Query Sequence

>GFF4204 FitnessBrowser__Marino:GFF4204
MRLDQISASARPFNNKNRNEQVKKMDTGITLNPERRAAMIKSGAWNDKIITDYFDQAVAS
TPDREAIVGYQVTSDTRNALTYRELNDKVTRMAAGLAAMGIGKGEVVACQLPNWWQTTAL
HLACMRIGAILNPLMPIFRERELRFMLKHGEAKLLVIPKVFRDFDYEAMVDGIRGELPAL
ETLLVIGGEGERSFEQRLMETPWEKQQDITSLFAERQLTADDAIQILYTSGTTGEPKGVM
HTSNTLFSNVRPYADRLHLTSDDKVLMASPLAHQTGFMYGIMMPVYLGTTAILQDIWDAD
YVCKVIGAEKPAFTMAATPFLADLVKTAPKHEGELDSLRIFVSAGAPIPSAVVEQAGKVL
KAKIVSAWGMTENGAVTMTCPEDPAERASQSDGKAMPFMEVKVTDFQGNELPAGEEGSLL
VRGSSLFVGYLKRPELYGVDESGWFNTGDLARMDQDAYIRITGRTKDVVIRGGENIPVVE
VENLLYKFPGIVDVALVGCPDERLGERLCAYVTLDENATDLTLEQVKTYLTEQQLSKNYL
PEYLEVIEAMPRTASGKIQKFKLREQARNVRLEPNKHH

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