SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012967422.1 NCBI__GCF_000025465.1:WP_012967422.1 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)

6agmA Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy- d-arabino-heptulosonate-7-phosphate synthase from escherichia coli (see paper)
86% identity, 99% coverage: 4:355/356 of query aligns to 1:334/334 of 6agmA

query
sites
6agmA

D

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binding tyrosine: P145 (= P148), Q149 (= Q152), S178 (= S181), F207 (= F210), I210 (= I213), L219 (= L222)

5cksB Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
55% identity, 95% coverage: 7:343/356 of query aligns to 1:336/345 of 5cksB

query
sites
5cksB

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binding DAHP Oxime: R87 (= R93), Y89 (= Y95), K92 (= K98), P93 (= P99), R94 (= R100), T95 (= T101), K181 (= K187), H263 (= H269), D321 (= D328)
binding beta-D-galactopyranose: K65 (≠ I71), D127 (≠ E133), Q165 (= Q171), E169 (= E175), F204 (= F210), L205 (≠ V211)

1kflA Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase (dahp synthase) from e.Coli complexed with mn2+, pep, and phe (see paper)
55% identity, 95% coverage: 7:343/356 of query aligns to 6:341/350 of 1kflA

query
sites
1kflA

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binding manganese (ii) ion: C61 (= C62), K97 (= K98), H268 (= H269), E302 (= E303), D326 (= D328)
binding phosphoenolpyruvate: R92 (= R93), K186 (= K187), R234 (= R235), H268 (= H269)
binding phenylalanine: Q151 (= Q152), A154 (≠ G155), L179 (= L180), S180 (= S181), F209 (= F210), S211 (≠ G212), V221 (≠ L222)

P0AB91 Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive; 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase; DAHP synthase; Phospho-2-keto-3-deoxyheptonate aldolase; EC 2.5.1.54 from Escherichia coli (strain K12) (see paper)
55% identity, 95% coverage: 7:343/356 of query aligns to 6:341/350 of P0AB91

query
sites
P0AB91

N

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Y

Y

G

S

P

A

E
x
K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

N

S

K

K

D

Q

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E

E

S

S

N

H

I

L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

S

E

L

Q

E

P

S

R

G

E

E

T

P

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

K244 (≠ E245) modified: N6-acetyllysine

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
55% identity, 94% coverage: 8:343/356 of query aligns to 1:335/343 of 8e0sD

query
sites
8e0sD

N

D

V

L

H

R

I

I

T

K

D

E

E

I

Q

K

V

E

L

L

M

L

T

P

P

P

E

V

Q

A

L

L

K

L

A

E

E

K

F

F

P

P

L

A

S

T

V

E

E

N

Q

A

E

A

A

N

Q

T

I

V

A

A

H

H

A

A

R

R

E

K

T

A

I

I

S

H

D

K

I

I

I

L

A

K

G

G

R

N

D

D

P

D

R

R

L

L

V

V

C

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

E

V

A

A

I

K

E
|
E

Y

Y

A

A

R

T

R
|
R

F

L

K

L

A

A

L

L

A

R

A

E

E

E

V

L

S

K

D

D

S

E

L

L

Y

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

M

D

D

G

N

S

S

F

F

D

Q

V

I

E

N

G

D

G

G

L

L

K

R

I

I

A

A

R

R

R

K

L

L

V

L

E

D

L

I

V

N

N

D

M

S

G

G

L

L

P

P

L

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

M

S

S

W

W

S

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

S

T

L

I

A

K

T

V

A

A

I

I

N

D

A

A

M

I

R

N

A

A

A

G

M

A

P

P

H

H

R

C

F

F

V

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

C

A

L

I

L

V

Q

N

T

T

Q

S

G

G

N

N

P

G

N

D

G

C

H

H

V

I

I

I

L

L

R

R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

S

P

A

E

K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

N

S

K

K

D

Q

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E

E

S

S

N

H

I
x
L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

S

E

L

Q

E

P

S

R

G

E

E

T

P

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

binding beta-D-glucopyranose: E65 (= E72), R69 (= R76), L299 (≠ I306)

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
55% identity, 94% coverage: 8:343/356 of query aligns to 1:335/343 of 7rudB

query
sites
7rudB

N

D

V

L

H

R

I

I

T

K

D

E

E

I

Q

K

V

E

L

L

M

L

T

P

P

P

E

V

Q

A

L

L

K

L

A

E

E

K

F

F

P

P

L

A

S

T

V

E

E

N

Q

A

E

A

A

N

Q

T

I

V

A

A

H

H

A

A

R

R

E

K

T

A

I

I

S

H

D

K

I

I

I

L

A

K

G

G

R

N

D

D

P

D

R

R

L

L

V

V

C

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

E

V

A

A

I

K

E

E

Y

Y

A

A

R

T

R

R

F

L

K

L

A

A

L

L

A

R

A

E

E

E

V

L

S

K

D

D

S

E

L

L

Y

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

M

D

D

G

N

S

S

F

F

D

Q

V

I

E

N

G

D

G

G

L

L

K

R

I

I

A

A

R

R

R

K

L

L

V

L

E

D

L

I

V

N

N

D

M

S

G

G

L

L

P

P

L

A

A

A

T

G

E
|
E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

M

S

S

W

W

S

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

T

L

I

A

K

T

V

A

A

I

I

N

D

A

A

M

I

R

N

A

A

A

G

M

A

P

P

H

H

R

C

F

F

V

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

C

A

L

I

L

V

Q

N

T

T

Q

S

G

G

N

N

P

G

N

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

S

P

A

E

K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

N

S

K

K

D

Q

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E

E

S

S

N

H

I

L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

S

E

L

Q

E

P

S

R

G

E

E

T

P

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

binding (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid: E137 (= E144), G157 (= G164), A158 (= A165), K180 (= K187), R228 (= R235), H262 (= H269)

1qr7A Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from escherichia coli complexed with pb2+ and pep (see paper)
55% identity, 94% coverage: 9:343/356 of query aligns to 1:329/338 of 1qr7A

query
sites
1qr7A

V

L

H

R

I

I

T

K

D

E

E

I

Q

K

V

E

L

L

M

L

T

P

P

P

E

V

Q

A

L

L

K

L

A

E

E

K

F

F

P

P

L

A

S

T

V

E

E

N

Q

A

E

A

A

N

Q

T

I

V

A

A

H

H

A

A

R

R

E

K

T

A

I

I

S

H

D

K

I

I

I

L

A

K

G

G

R

N

D

D

P

D

R

R

L

L

V

V

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

V

A

A

I

K

E

E

Y

Y

A

A

R

T

R

R

F

L

K

L

A

A

L

L

A

R

A

E

E

E

V

L

S

K

D

D

S

E

L

L

Y

E

L

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

M

D

D

G

N

S

S

F

F

D

Q

V

I

E

N

G

D

G

G

L

L

K

R

I

I

A

A

R

R

R

K

L

L

V

L

E

D

L

I

V

N

N

D

M

S

G

G

L

L

P

P

L

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

M

S

S

W

W

S

G

A

A

I

I

G

G

A

A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

T

L

I

A

K

T

V

A

A

I

I

N

D

A

A

M

I

R

N

A

A

A

G

M

A

P

P

H

H

R

C

F

F

V

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

C

A

L

I

L

V

Q

N

T

T

Q

S

G

G

N

N

P

G

N

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

S

P

A

E

K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

N

S

K

K

D

Q

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

-

E

-

Q

-

P

-

R

-

E

S

T

L

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

binding lead (ii) ion: C54 (= C62), H261 (= H269), E295 (= E303), D314 (= D328)
binding phosphoenolpyruvate: R85 (= R93), Y87 (= Y95), R158 (= R166), K179 (= K187), R227 (= R235), H261 (= H269)

1gg1A Crystal structure analysis of dahp synthase in complex with mn2+ and 2-phosphoglycolate (see paper)
54% identity, 94% coverage: 8:343/356 of query aligns to 1:331/339 of 1gg1A

query
sites
1gg1A

N

D

V

L

H

R

I

I

T

K

D

E

E

I

Q

K

V

E

L

L

M

L

T

P

P

P

E

V

Q

A

L

L

K

L

A

E

E

K

F

F

P

P

L

A

S

T

V

E

E

N

Q

A

E

A

A

N

Q

T

I

V

A

A

H

H

A

A

R

R

E

K

T

A

I

I

S

H

D

K

I

I

I

L

A

K

G

G

R

N

D

D

P

D

R

R

L

L

V

V

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

V

A

A

I

K

E

E

Y

Y

A

A

R

T

R

R

F

L

K

L

A

A

L

L

A

R

A

E

E

E

V

L

S

K

D

D

S

E

L

L

Y

E

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

M

D

D

G

N

S

S

F

F

D

Q

V

I

E

N

G

D

G

G

L

L

K

R

I

I

A

A

R

R

R

K

L

L

V

L

E

D

L

I

V

N

N

D

M

S

G

G

L

L

P

P

L

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

M

S

S

W

W

S

G

A

A

I

I

G
|
G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

T

L

I

A

K

T

V

A

A

I

I

N

D

A

A

M

I

R

N

A

A

A

G

M

A

P

P

H

H

R

C

F

F

V

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

C

A

L

I

L

V

Q

N

T

T

Q

S

G

G

N

N

P

G

N

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

S

P

A

E

K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

N

S

K

K

D

Q

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

-

E

-

Q

-

P

-

R

S

E

L

T

P

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

binding manganese (ii) ion: C55 (= C62), H262 (= H269), E296 (= E303), D316 (= D328)
binding 2-phosphoglycolic acid: R86 (= R93), K91 (= K98), G157 (= G164), K180 (= K187), R228 (= R235), H262 (= H269)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
53% identity, 94% coverage: 7:340/356 of query aligns to 3:331/345 of 4hsoA

query
sites
4hsoA

N

D

V

I

H

K

I

I

T

K

D

E

E

V

Q

K

V

E

L

L

M

L

T

P

P

P

E

I

Q

A

L

H

K

L

A

Y

E

E

F

L

P

P

L

I

S

S

V

K

E

E

Q

A

E

S

A

G

Q

L

I

V

A

H

H

R

A

T

R

R

E

Q

T

E

I

I

S

S

D

D

I

L

I

V

A

H

G

G

R

R

D

D

P

K

R

R

L

L

V

V

V

I

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

K

A

A

I

L

E

E

Y

Y

A

A

R

E

R

R

F

L

K

L

A

K

L

L

A

R

A

K

E

Q

V

Y

S

E

D

N

S

E

L

L

Y

L

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

L

D

D

G

G

S

T

F

F

D

D

V

I

E

N

G

F

G

G

L

L

K

R

I

Q

A

A

R

R

R

S

L

L

V

L

E

S

L

L

V

N

N

N

M

M

G

G

L

M

P

P

L

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q
|
Q

Y

Y

L

Y

G

A

D

D

L

L

F

I

S

S

W

W

S

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M
x
L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

N

L

L

A

K

T

I

A

A

I

I

N

D

A

A

M

I

R

G

A

A

A

S

M

H

P

S

H

H

R

H

F

F

V

L

G

G

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

C

A

L

I

L

V

Q

H

T

T

Q

G

G

G

N

N

P

P

N

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

D

P

A

E

E

D

H

V

V

A

S

K

E

C

A

E

A

K

E

E

Q

M

L

A

R

Q

A

A

A

G

G

L

V

K

T

P

D

S

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

N

R

K

K

D

D

F

Y

R

T

R

R

Q

Q

P

M

A

E

V

V

A

A

E

Q

S

D

V

I

V

A

A

A

Q

Q

I

L

K

E

D

Q

G

D

N

G

R

G

S

N

I

I

I

M

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

R

Q

Q

F

-

S

-

E

D

Q

K

P

P

R

E

E

-

T

-

M

-

K

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

G

T

A

T

T

D

E

A

E

L

L

binding manganese (ii) ion: C58 (= C62), H265 (= H269), E299 (= E303), D319 (= D328)
binding phosphoenolpyruvate: R89 (= R93), A161 (= A165), R162 (= R166), K183 (= K187), R231 (= R235), H265 (= H269)
binding tyrosine: Q148 (= Q152), L172 (≠ M176), L176 (= L180), S177 (= S181)

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
53% identity, 94% coverage: 7:340/356 of query aligns to 7:335/348 of 5dcbC

query
sites
5dcbC

N

D

V

I

H

K

I

I

T

K

D

E

E

V

Q

K

V

E

L

L

M

L

T

P

P

P

E

I

Q

A

L

H

K

L

A

Y

E

E

F

L

P

P

L

I

S

S

V

K

E

E

Q

A

E

S

A

G

Q

L

I

V

A

H

H

R

A

T

R

R

E

Q

T

E

I

I

S

S

D

D

I

L

I

V

A

H

G

G

R

R

D

D

P

K

R

R

L

L

V

V

V

I

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

K

A

A

I

L

E

E

Y

Y

A

A

R

E

R

R

F

L

K

L

A

K

L

L

A

R

A

K

E

Q

V

Y

S

E

D

N

S

E

L

L

Y

L

L

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

L

D

D

G

G

S

T

F

F

D

D

V

I

E

N

G

F

G

G

L

L

K

R

I

Q

A

A

R

R

R

S

L

L

V

L

E

S

L

L

V

N

N

N

M

M

G

G

L

M

P

P

L

A

A

S

T

T

E
|
E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q
|
Q

Y

Y

L

Y

G
x
A

D

D

L

L

F

I

S

S

W

W

S

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

N

L

L

A

K

T

I

A

A

I

I

N

D

A

A

M

I

R

G

A

A

A

S

M

H

P

S

H

H

R

H

F
|
F

V

L

G
x
S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

C

A

L

I

L
x
V

Q

H

T

T

Q

G

G

G

N

N

P

P

N

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

D

P

A

E

E

D

H

V

V

A

S

K

E

C

A

E

A

K

E

E

Q

M

L

A

R

Q

A

A

A

G

G

L

V

K

T

P

D

S

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

N

R

K

K

D

D

F

Y

R

T

R

R

Q

Q

P

M

A

E

V

V

A

A

E

Q

S

D

V

I

V

A

A

A

Q

Q

I

L

K

E

D

Q

G

D

N

G

R

G

S

N

I

I

I

M

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

R

Q

Q

F

-

S

-

E

D

Q

K

P

P

R

E

E

-

T

-

M

-

K

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

G

T

A

T

T

D

E

A

E

L

L

binding manganese (ii) ion: C62 (= C62), K98 (= K98), H269 (= H269), E303 (= E303), D323 (= D328)
binding phosphoenolpyruvate: R93 (= R93), Y95 (= Y95), E144 (= E144), K187 (= K187), R235 (= R235), H269 (= H269)
binding phenylalanine: Q152 (= Q152), A155 (≠ G155), L180 (= L180), S181 (= S181), F210 (= F210), S212 (≠ G212), V222 (≠ L222)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
53% identity, 94% coverage: 7:340/356 of query aligns to 5:333/346 of 5dcdA

query
sites
5dcdA

N

D

V

I

H

K

I

I

T

K

D

E

E

V

Q

K

V

E

L

L

M

L

T

P

P

P

E

I

Q

A

L

H

K

L

A

Y

E

E

F

L

P

P

L

I

S

S

V

K

E

E

Q

A

E

S

A

G

Q

L

I

V

A

H

H

R

A

T

R

R

E

Q

T

E

I

I

S

S

D

D

I

L

I

V

A

H

G

G

R

R

D

D

P

K

R

R

L

L

V

V

V

I

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

K

A

A

I

L

E

E

Y

Y

A

A

R

E

R

R

F

L

K

L

A

K

L

L

A

R

A

K

E

Q

V

Y

S

E

D

N

S

E

L

L

Y

L

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

L

D

D

G

G

S

T

F

F

D

D

V

I

E

N

G

F

G

G

L

L

K

R

I

Q

A

A

R

R

R

S

L

L

V

L

E

S

L

L

V

N

N

N

M

M

G

G

L

M

P

P

L

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q
|
Q

Y

Y

L

Y

G
x
A

D

D

L

L

F

I

S

S

W

W

S

G

A

A

I

I

G

G

A
|
A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

N

L

L

A

K

T

I

A

A

I

I

N

D

A

A

M

I

R

G

A

A

A

S

M

H

P

S

H

H

R

H

F

F

V

L

G
x
S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

C

A

L

I

L
x
V

Q

H

T

T

Q

G

G

G

N

N

P

P

N

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

D

P

A

E

E

D

H

V

V

A

S

K

E

C

A

E

A

K

E

E

Q

M

L

A

R

Q

A

A

A

G

G

L

V

K

T

P

D

S

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

N

R

K

K

D

D

F

Y

R

T

R

R

Q

Q

P

M

A

E

V

V

A

A

E

Q

S

D

V

I

V

A

A

A

Q

Q

I

L

K

E

D

Q

G

D

N

G

R

G

S

N

I

I

I

M

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

R

Q

Q

F

-

S

-

E

D

Q

K

P

P

R

E

E

-

T

-

M

-

K

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

G

T

A

T

T

D

E

A

E

L

L

binding manganese (ii) ion: C60 (= C62), H267 (= H269), E301 (= E303), D321 (= D328)
binding trimethylamine oxide: A163 (= A165), K185 (= K187), R233 (= R235), H267 (= H269)
binding tyrosine: Q150 (= Q152), A153 (≠ G155), L178 (= L180), S179 (= S181), S210 (≠ G212), V220 (≠ L222)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
53% identity, 94% coverage: 7:340/356 of query aligns to 3:331/344 of 5dceA

query
sites
5dceA

N

D

V

I

H

K

I

I

T

K

D

E

E

V

Q

K

V

E

L

L

M

L

T

P

P

P

E

I

Q

A

L

H

K

L

A

Y

E

E

F

L

P

P

L

I

S

S

V

K

E

E

Q

A

E

S

A

G

Q

L

I

V

A

H

H

R

A

T

R

R

E

Q

T

E

I

I

S

S

D

D

I

L

I

V

A

H

G

G

R

R

D

D

P

K

R

R

L

L

V

V

V

I

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

K

A

A

I

L

E

E

Y

Y

A

A

R

E

R

R

F

L

K

L

A

K

L

L

A

R

A

K

E

Q

V

Y

S

E

D

N

S

E

L

L

Y

L

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

L

D

D

G

G

S

T

F

F

D

D

V

I

E

N

G

F

G

G

L

L

K

R

I

Q

A

A

R

R

R

S

L

L

V

L

E

S

L

L

V

N

N

N

M

M

G

G

L

M

P

P

L

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q
|
Q

Y

Y

L

Y

G

A

D

D

L

L

F

I

S

S

W

W

S

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

S

N

L

L

A

K

T

I

A

A

I

I

N

D

A

A

M

I

R

G

A

A

A

S

M

H

P

S

H

H

R

H

F

F

V

L

G
x
S

I
x
V

N

T

Q

K

A

A

G

G

Q

H

V

S

C

A

L

I

L
x
V

Q

H

T

T

Q

G

G

G

N

N

P

P

N

D

G

C

H

H

V

V

I

I

L

L

R

R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

D

P

A

E

E

D

H

V

V

A

S

K

E

C

A

E

A

K

E

E

Q

M

L

A

R

Q

A

A

A

G

G

L

V

K

T

P

D

S

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

N

R

K

K

D

D

F

Y

R

T

R

R

Q

Q

P

M

A

E

V

V

A

A

E

Q

S

D

V

I

V

A

A

A

Q

Q

I

L

K

E

D

Q

G

D

N

G

R

G

S

N

I

I

I

M

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

R

Q

Q

F

-

S

-

E

D

Q

K

P

P

R

E

E

-

T

-

M

-

K

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

G

T

A

T

T

D

E

A

E

L

L

binding manganese (ii) ion: C58 (= C62), H265 (= H269), E299 (= E303), D319 (= D328)
binding tryptophan: Q148 (= Q152), L176 (= L180), S177 (= S181), S208 (≠ G212), V209 (≠ I213), V218 (≠ L222)

7rueA Dahp synthase complexed with trifluoropyruvate semicarbazone (see paper)
54% identity, 95% coverage: 7:343/356 of query aligns to 2:331/339 of 7rueA

query
sites
7rueA

N

D

V

L

H

R

I

I

T

K

D

E

E

I

Q

K

V

E

L

L

M

L

T

P

P

P

E

V

Q

A

L

L

K

L

A

E

E

K

F

F

P

P

L

A

S

T

V

E

E

N

Q

A

E

A

A

N

Q

T

I

V

A

A

H

H

A

A

R

R

E

K

T

A

I

I

S

H

D

K

I

I

I

L

A

K

G

G

R

N

D

D

P

D

R

R

L

L

V

V

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

V

A

A

I

K

E

E

Y

Y

A

A

R

T

R

R

F

L

K

L

A

A

L

L

A

R

A

E

E

E

V

L

S

K

D

D

S

E

L

L

Y

E

L

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

M

D

D

G

N

S

S

F

F

D

Q

V

I

E

N

G

D

G

G

L

L

K

R

I

I

A

A

R

R

R

K

L

L

V

L

E

D

L

I

V

N

N

D

M

S

G

G

L

L

P

P

L

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

M

S

S

W

W

S

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

T

L

I

A

K

T

V

A

A

I

I

N

D

A

A

M

I

R

N

A

A

A

G

M

A

P

P

H

H

R

C

F

F

V

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

C

A

L

I

L

V

Q

N

T

T

Q

S

G

G

N

N

P

G

N

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

S

P

A

E

K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

N

S

K

Q

D

-

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

-

E

-

Q

-

P

-

R

-

E

S

T

L

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

binding (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid: R88 (= R93), Y90 (= Y95), G159 (= G164), A160 (= A165), K182 (= K187), R230 (= R235), H264 (= H269)
binding manganese (ii) ion: C57 (= C62), H264 (= H269), E297 (= E303), D316 (= D328)

4umcA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water (see paper)
54% identity, 91% coverage: 17:340/356 of query aligns to 3:321/334 of 4umcA

query
sites
4umcA

L

L

M

L

T

P

P

P

E

I

Q

A

L

H

K

L

A

Y

E

E

F

L

P

P

L

I

S

S

V

K

E

E

Q

A

E

S

A

G

Q

L

I

V

A

H

H

R

A

T

R

R

E

Q

T

E

I

I

S

S

D

D

I

L

I

V

A

H

G

G

R

R

D

D

P

K

R

R

L

L

V

V

V

I

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

K

A

A

I

L

E

E

Y

Y

A

A

R

E

R

R

F

L

K

L

A

K

L

L

A

R

A

K

E

Q

V

Y

S

E

D

N

S

E

L

L

Y

L

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

L

D

D

G

G

S

T

F

F

D

D

V

I

E

N

G

F

G

G

L

L

K

R

I

Q

A

A

R

R

R

S

L

L

V

L

E

S

L

L

V

N

N

N

M

M

G

G

L

M

P

P

L

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

Y

G

A

D

D

L

L

F

I

S

S

W

W

S

G

A

A

I

I

G
|
G

A

A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

N

L

L

A

K

T

I

A

A

I

I

N

D

A

A

M

I

R

G

A

A

A

S

M

H

P

S

H

H

R

H

F

F

V

L

G

S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

C

A

L

I

L

V

Q

H

T

T

Q

G

G

G

N

N

P

P

N

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

D

P

A

E

E

D

H

V

V

A

S

K

E

C

A

E

A

K

E

E

Q

M

L

A

R

Q

A

A

A

G

G

L

V

K

T

P

D

S

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

N

R

K

K

D

D

F

Y

R

T

R

R

Q

Q

P

M

A

E

V

V

A

A

E

Q

S

D

V

I

V

A

A

A

Q

Q

I

L

K

E

D

Q

G

D

N

G

R

G

S

N

I

I

I

M

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

R

Q

Q

F

-

S

-

E

D

Q

K

P

P

R

E

E

-

T

-

M

-

K

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

G

T

A

T

T

D

E

A

E

L

L

binding manganese (ii) ion: C48 (= C62), H255 (= H269), E289 (= E303), D309 (= D328)
binding l-phospholactate: R79 (= R93), K84 (= K98), G150 (= G164), R152 (= R166), K173 (= K187), R221 (= R235), H255 (= H269)

4umbA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water (see paper)
54% identity, 91% coverage: 17:340/356 of query aligns to 3:321/335 of 4umbA

query
sites
4umbA

L

L

M

L

T

P

P

P

E

I

Q

A

L

H

K

L

A

Y

E

E

F

L

P

P

L

I

S

S

V

K

E

E

Q

A

E

S

A

G

Q

L

I

V

A

H

H

R

A

T

R

R

E

Q

T

E

I

I

S

S

D

D

I

L

I

V

A

H

G

G

R

R

D

D

P

K

R

R

L

L

V

V

V

I

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

K

A

A

I

L

E

E

Y

Y

A

A

R

E

R

R

F

L

K

L

A

K

L

L

A

R

A

K

E

Q

V

Y

S

E

D

N

S

E

L

L

Y

L

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

L

D

D

G

G

S

T

F

F

D

D

V

I

E

N

G

F

G

G

L

L

K

R

I

Q

A

A

R

R

R

S

L

L

V

L

E

S

L

L

V

N

N

N

M

M

G

G

L

M

P

P

L

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

Y

G

A

D

D

L

L

F

I

S

S

W

W

S

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

N

L

L

A

K

T

I

A

A

I

I

N

D

A

A

M

I

R

G

A

A

A

S

M

H

P

S

H

H

R

H

F

F

V

L

G

S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

C

A

L

I

L

V

Q

H

T

T

Q

G

G

G

N

N

P

P

N

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

D

P

A

E

E

D

H

V

V

A

S

K

E

C

A

E

A

K

E

E

Q

M

L

A

R

Q

A

A

A

G

G

L

V

K

T

P

D

S

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

N

R

K

K

D

D

F

Y

R

T

R

R

Q

Q

P

M

A

E

V

V

A

A

E

Q

S

D

V

I

V

A

A

A

Q

Q

I

L

K

E

D

Q

G

D

N

G

R

G

S

N

I

I

I

M

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

R

Q

Q

F

-

S

-

E

D

Q

K

P

P

R

E

E

-

T

-

M

-

K

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

G

T

A

T

T

D

E

A

E

L

L

binding (2R)-2-(phosphonooxy)propanoic acid: R79 (= R93), K84 (= K98), A151 (= A165), R152 (= R166), K173 (= K187), R221 (= R235), H255 (= H269)
binding manganese (ii) ion: C48 (= C62), H255 (= H269), E289 (= E303), D309 (= D328)

4umaA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3 deoxy d arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water (see paper)
54% identity, 91% coverage: 17:340/356 of query aligns to 2:320/333 of 4umaA

query
sites
4umaA

L

L

M

L

T

P

P

P

E

I

Q

A

L

H

K

L

A

Y

E

E

F

L

P

P

L

I

S

S

V

K

E

E

Q

A

E

S

A

G

Q

L

I

V

A

H

H

R

A

T

R

R

E

Q

T

E

I

I

S

S

D

D

I

L

I

V

A

H

G

G

R

R

D

D

P

K

R

R

L

L

V

V

V

I

C

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

E

K

A

A

I

L

E

E

Y

Y

A

A

R

E

R

R

F

L

K

L

A

K

L

L

A

R

A

K

E

Q

V

Y

S

E

D

N

S

E

L

L

Y

L

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

L

D

D

G

G

S

T

F

F

D

D

V

I

E

N

G

F

G

G

L

L

K

R

I

Q

A

A

R

R

R

S

L

L

V

L

E

S

L

L

V

N

N

N

M

M

G

G

L

M

P

P

L

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

Y

G

A

D

D

L

L

F

I

S

S

W

W

S

G

A

A

I

I

G
|
G

A
|
A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

N

L

L

A

K

T

I

A

A

I

I

N

D

A

A

M

I

R

G

A

A

A

S

M

H

P

S

H

H

R

H

F

F

V

L

G

S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

C

A

L

I

L

V

Q

H

T

T

Q

G

G

G

N

N

P

P

N

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

D

P

A

E

E

D

H

V

V

A

S

K

E

C

A

E

A

K

E

E

Q

M

L

A

R

Q

A

A

A

G

G

L

V

K

T

P

D

S

K

L

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

N

R

K

K

D

D

F

Y

R

T

R

R

Q

Q

P

M

A

E

V

V

A

A

E

Q

S

D

V

I

V

A

A

A

Q

Q

I

L

K

E

D

Q

G

D

N

G

R

G

S

N

I

I

I

M

G

G

L

V

M

M

I

V

E
|
E

S

S

N

H

I

L

H

V

E

E

G

G

N

R

Q

Q

F

-

S

-

E

D

Q

K

P

P

R

E

E

-

T

-

M

-

K

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

G

T

A

T

T

D

E

A

E

L

L

binding (e)-2-methyl-3-phosphonoacrylate: R78 (= R93), K83 (= K98), G149 (= G164), A150 (= A165), R151 (= R166), K172 (= K187), R220 (= R235), H254 (= H269)
binding manganese (ii) ion: C47 (= C62), H254 (= H269), E288 (= E303), D308 (= D328)

5cksA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
54% identity, 95% coverage: 7:343/356 of query aligns to 2:330/339 of 5cksA

query
sites
5cksA

N

D

V

L

H

R

I

I

T

K

D

E

E

I

Q

K

V

E

L

L

M

L

T

P

P

P

E

V

Q

A

L

L

K

L

A

E

E

K

F

F

P

P

L

A

S

T

V

E

E

N

Q

A

E

A

A

N

Q

T

I

V

A

A

H

H

A

A

R

R

E

K

T

A

I

I

S

H

D

K

I

I

I

L

A

K

G

G

R

N

D

D

P

D

R

R

L

L

V

V

C

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

E

V

A

A

I

K

E

E

Y

Y

A

A

R

T

R

R

F

L

K

L

A

A

L

L

A

R

A

E

E

E

V

L

S

K

D

D

S

E

L

L

Y

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E
|
E

K

K

P

P

R

R

T

T

T

-

V

-

G

G

W

W

K

K

G

G

L

L

I

I

N
|
N

D

D

P

P

H

H

M

M

D

D

G

N

S

S

F

F

D

Q

V

I

E

N

G

D

G

G

L

L

K

R

I

I

A

A

R

R

R

K

L

L

V

L

E

D

L

I

V

N

N

D

M

S

G

G

L

L

P

P

L

A

A

A

T

G

E

E

A

F

L

L

D
|
D

P

M

N

I

S
x
T

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

M

S

S

W

W

S

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

S

T

L

I

A

K

T

V

A

A

I

I

N

D

A

A

M

I

R

N

A

A

A

G

M

A

P

P

H

H

R

C

F

F

V

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

C

A

L

I

L

V

Q

N

T

T

Q

S

G

G

N

N

P

G

N

D

G

C

H

H

V

I

I

I

L

L

R

R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

S

P

A

E

K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

N

S

K

K

D

Q

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E

E

S

S

N

H

I

L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

-

E

-

Q

-

P

-

R

-

E

S

T

L

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

binding beta-D-galactopyranose: E92 (= E97), N103 (= N110), D140 (= D147), T143 (≠ S150)

8e0sA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
54% identity, 94% coverage: 8:343/356 of query aligns to 1:327/336 of 8e0sA

query
sites
8e0sA

N

D

V

L

H

R

I

I

T

K

D

E

E

I

Q

K

V

E

L

L

M

L

T

P

P

P

E

V

Q

A

L

L

K

L

A

E

E

K

F

F

P

P

L

A

S

T

V

E

E

N

Q

A

E

A

A

N

Q

T

I

V

A

A

H

H

A

A

R

R

E

K

T

A

I

I

S

H

D

K

I

I

I

L

A

K

G

G

R

N

D

D

P

D

R

R

L

L

V

V

C

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

E

V

A

A

I

K

E

E

Y

Y

A

A

R

T

R

R

F

L

K

L

A

A

L

L

A

R

A

E

E

E

V

L

S

K

D

D

S

E

L

L

Y

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

-

V

-

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

M

M

D

D

G

N

S

S

F

F

D

Q

V

I

E

N

G

D

G

G

L

L

K

R

I

I

A

A

R

R

R

K

L

L

V

L

E

D

L

I

V

N

N

D

M

S

G

G

L

L

P

P

L

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

N

I

S

T

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

M

S

S

W

W

S

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

S

T

L

I

A

K

T

V

A

A

I

I

N

D

A

A

M

I

R

N

A

A

A

G

M

A

P

P

H

H

R

C

F

F

V

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

C

A

L

I

L

V

Q

N

T

T

Q
x
S

G
|
G

N

N

P
x
G

N

D

G

C

H

H

V

I

I

I

L

L

R

R

G

G

K

K

A

E

P

P

N

N

Y

Y

G

S

P

A

E

K

D

H

V

V

A

A

K

E

C

V

E

K

K

E

E

G

M

L

A

N

Q

K

A

A

G

G

L

L

K

P

P

A

S

Q

L

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

N

S

K

K

D

Q

F

F

R

K

Q

Q

P

M

A

D

V

V

A

C

E

A

S

D

V

V

V

C

A

Q

Q

Q

I

I

K

A

D

G

G

G

N

E

R

K

S

A

I

I

G

G

L

V

M

M

I

V

E

E

S

S

N

H

I

L

H

V

E

E

G

G

N

N

Q

Q

F

-

S

-

E

-

Q

-

P

-

R

-

E

S

T

L

M

L

K

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

S

G

W

W

E

E

T

D

T

T

D

D

A

A

L

L

R

R

E

Q

L

L

binding alpha-D-glucopyranose: S215 (≠ Q225), G216 (= G226), G218 (≠ P228)

1of8A Double complex of the tyrosine sensitive dahp synthase from s. Cerevisiae with co2+, pep and the e4p analogoue g3p (see paper)
52% identity, 96% coverage: 9:348/356 of query aligns to 1:333/339 of 1of8A

query
sites
1of8A

V

V

H

R

I

I

T

L

D

G

E

Y

Q

D

V

P

L

L

M

A

T

S

P

P

E

A

Q

L

L

L

K

Q

A

V

E

Q

F

I

P

P

L

A

S

T

V

P

E

T

Q

S

E

L

A

E

Q

T

I

A

A

K

H

R

A

G

R

R

E

R

T

E

I

A

S

I

D

D

I

I

A

T

G

G

R

K

D

D

P

D

R

R

L

V

L

L

V

V

V

I

C

V

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

L

E

E

A

A

I

Q

E

E

Y

Y

A

A

R

L

R

R

F

L

K

K

A

K

L

L

A

S

A

D

E

E

V

L

S

K

D

G

S

D

L

L

Y

S

L

I

V

I

M

M

R
|
R

V

A

Y

Y

F

L

E

E

K

K

P
|
P

R
|
R

T
|
T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

D

M

V

D

N

G

N

S

T

F

F

D

N

V

I

E

N

G

K

G

G

L

L

K

Q

I

S

A

A

R

R

R

Q

L

L

L

F

V

V

E

N

L

L

V

T

N

N

M

I

G

G

L

L

P

P

L

I

A

G

T

S

E

E

A

M

L

L

D

D

P

T

N

I

S

S

P

P

Q

Q

Y

Y

L

L

G

A

D

D

L

L

F

V

S

S

W

F

S

G

A

A

I

I

G
|
G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

L

H

H

R

R

E

E

M

L

A

A

S

S

G

G

L

L

S

S

M

F

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

S

T

L

L

A

N

T

V

A

A

I

V

N

D

A

A

M

C

R

Q

A

A

M

H

P

S

H

H

R

H

F

F

V

M

G

G

I

V

N

T

Q

K

A

H

G

G

Q

V

V

A

C

A

L

I

L

T

Q

T

T

T

Q

K

G

G

N

N

P

E

N

H

G

C

H

F

V

V

I

I

L

L

R
|
R

G

G

-

K

K

K

A

G

P

T

N

N

Y

Y

G

D

P

A

E

K

D

S

V

V

A

A

K

E

C

A

E

K

K

A

E

Q

M

L

A

P

Q

A

A

G

G

-

L

-

K

S

P

N

S

G

L

L

M

M

V

I

D

D

C

Y

S

S

H
|
H

G

G

N

N

S

S

N

N

K

K

D

D

F

F

R

R

R

N

Q

Q

P

P

A

K

V

V

A

N

E

D

S

V

V

V

V

C

A

E

Q

Q

I

I

K

A

D

N

G

G

N

E

R

N

S

A

I

I

I

T

G

G

L

V

M

M

I

I

E
|
E

S

S

N

N

I

I

H

N

E

E

G

G

N

N

Q

Q

F

-

S

-

E

-

Q

-

P

-

R

-

E

G

T

I

M

L

K

K

Y

Y

G

G

V

V

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

S

G

W

W

E

E

T

T

D

E

A

D

L

V

L

L

R

R

E

K

L

L

D

A

K

A

D

A

L

V

R

R

binding cobalt (ii) ion: C54 (= C62), H260 (= H269), E294 (= E303), D313 (= D328)
binding sn-glycerol-3-phosphate: P91 (= P99), R92 (= R100), T93 (= T101), D313 (= D328)
binding phosphoenolpyruvate: R85 (= R93), G156 (= G164), K179 (= K187), R227 (= R235), H260 (= H269)

1hfbA Crystal structure of the tyrosine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from saccharomyces cerevisiae complexed with phosphoenolpyruvate (see paper)
52% identity, 96% coverage: 9:348/356 of query aligns to 1:332/339 of 1hfbA

query
sites
1hfbA

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binding phosphoenolpyruvate: R85 (= R93), Y87 (= Y95), G156 (= G164), A157 (= A165), K179 (= K187), R227 (= R235), H260 (= H269)

Query Sequence

>WP_012967422.1 NCBI__GCF_000025465.1:WP_012967422.1
MQKDALNNVHITDEQVLMTPEQLKAEFPLSVEQEAQIAHARETISDIIAGRDPRLLVVCG
PCSIHDPEAAIEYARRFKALAAEVSDSLYLVMRVYFEKPRTTVGWKGLINDPHMDGSFDV
EGGLKIARRLLVELVNMGLPLATEALDPNSPQYLGDLFSWSAIGARTTESQTHREMASGL
SMPVGFKNGTDGSLATAINAMRAAAMPHRFVGINQAGQVCLLQTQGNPNGHVILRGGKAP
NYGPEDVAKCEKEMAQAGLKPSLMVDCSHGNSNKDFRRQPAVAESVVAQIKDGNRSIIGL
MIESNIHEGNQFSEQPRETMKYGVSVTDACISWETTDALLRELDKDLRGHLAARLV

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