SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011883337.1 NCBI__GCF_000016205.1:WP_011883337.1 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)

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)
67% identity, 97% coverage: 4:350/357 of query aligns to 3:349/350 of 1kflA

query
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1kflA

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binding manganese (ii) ion: C61 (= C62), K97 (= K98), H268 (= H269), E302 (= E303), D326 (= D327)
binding phosphoenolpyruvate: R92 (= R93), K186 (= K187), R234 (= R235), H268 (= H269)
binding phenylalanine: Q151 (= Q152), A154 (= A155), L179 (= L180), S180 (= S181), F209 (= F210), S211 (= S212), V221 (= V222)

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)
67% identity, 97% coverage: 4:350/357 of query aligns to 3:349/350 of P0AB91

query
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P0AB91

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K244 (≠ D245) modified: N6-acetyllysine

5cksB Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
67% identity, 96% coverage: 7:350/357 of query aligns to 1:344/345 of 5cksB

query
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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 (= D327)
binding beta-D-galactopyranose: K65 (≠ L71), D127 (≠ Q133), Q165 (= Q171), E169 (= E175), F204 (= F210), L205 (= L211)

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
67% identity, 96% coverage: 8:350/357 of query aligns to 1:343/343 of 8e0sD

query
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8e0sD

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K

K

N

N

G

G

T

T

D

D

G

G

N

T

V

I

K

K

I

V

A

A

V

I

D

D

A

A

I

I

K

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

L

L

S

S

V

V

T

T

K

K

G

W

G

G

H

H

S

S

A

A

I

I

V

V

S

N

T

T

A

S

G

G

N

N

E

G

D

D

C

C

H

H

V

I

I

I

L

L

R

R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

D

K

S

H

V

V

N

A

A

E

A

V

C

K

A

E

D

G

I

L

G

N

K

K

A

A

G

G

L

L

A

P

A

A

R

Q

L

V

M

M

I

I

D

D

A

F

S

S

H

H

A

A

N

N

S

S

S

S

K

K

K

Q

H

F

E

K

N

K

Q

Q

I

M

P

D

V

V

C

C

A

A

D

D

I

V

G

C

R

Q

Q

Q

V

I

A

A

A

G

G

G

D

E

E

K

R

A

I

I

V

I

G

G

V

V

M

M

I

V

E

E

S

S

H

H

L
|
L

V

V

E

E

G

G

R

N

Q

Q

D

S

L

L

K

E

E

S

G

G

C

E

A

P

L

L

T

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

A

A

C

C

I

I

A

G

W

W

D

E

D

D

S

T

V

D

K

A

V

L

L

L

E

R

G

Q

L

L

A

A

E

N

A

A

V

V

K

K

A

A

R

R

R

R

binding beta-D-glucopyranose: E65 (= E72), R69 (= R76), L299 (= L306)

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
67% identity, 96% coverage: 8:350/357 of query aligns to 1:343/343 of 7rudB

query
sites
7rudB

D

D

V

L

R

R

I

I

R

K

E

E

L

I

K

K

E

E

L

L

T

L

P

P

P

P

A

V

H

A

L

L

I

L

R

E

E

K

F

F

A

P

C

A

S

T

E

E

A

N

A

A

S

A

E

N

L

T

I

V

Y

A

E

H

S

A

R

R

R

K

S

A

M

I

H

H

R

K

I

I

L

L

H

K

G

G

M

N

D

D

D

D

R

R

L

L

I

L

V

V

V

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

P

K

V

A

A

A

A

L

K

E

E

Y

Y

A

A

G

T

R

R

L

L

V

L

K

A

E

L

R

R

E

E

R

E

F

L

K

K

G

D

E

E

L

L

E

E

I

I

V

V

M

M

R

R

V

V

Y

Y

F

F

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

H

L

M

D

D

N

N

S

S

F

F

K

Q

I

I

N

N

E

D

G

G

L

L

R

R

T

I

A

A

R

R

E

K

L

L

L

L

L

L

Q

D

I

I

N

N

E

D

M

S

G

G

L

L

P

P

A

A

A

A

T

G

E
|
E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

V

I

K

K

I

V

A

A

V

I

D

D

A

A

I

I

K

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

L

L

S

S

V

V

T

T

K

K

G

W

G

G

H

H

S

S

A

A

I

I

V

V

S

N

T

T

A

S

G

G

N

N

E

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

D

K

S

H

V

V

N

A

A

E

A

V

C

K

A

E

D

G

I

L

G

N

K

K

A

A

G

G

L

L

A

P

A

A

R

Q

L

V

M

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

K

K

Q

H

F

E

K

N

K

Q

Q

I

M

P

D

V

V

C

C

A

A

D

D

I

V

G

C

R

Q

Q

Q

V

I

A

A

A

G

G

G

D

E

E

K

R

A

I

I

V

I

G

G

V

V

M

M

I

V

E

E

S

S

H

H

L

L

V

V

E

E

G

G

R

N

Q

Q

D

S

L

L

K

E

E

S

G

G

C

E

A

P

L

L

T

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

A

A

C

C

I

I

A

G

W

W

D

E

D

D

S

T

V

D

K

A

V

L

L

L

E

R

G

Q

L

L

A

A

E

N

A

A

V

V

K

K

A

A

R

R

R

R

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

1gg1A Crystal structure analysis of dahp synthase in complex with mn2+ and 2-phosphoglycolate (see paper)
67% identity, 96% coverage: 8:350/357 of query aligns to 1:339/339 of 1gg1A

query
sites
1gg1A

D

D

V

L

R

R

I

I

R

K

E

E

L

I

K

K

E

E

L

L

T

L

P

P

P

P

A

V

H

A

L

L

I

L

R

E

E

K

F

F

A

P

C

A

S

T

E

E

A

N

A

A

S

A

E

N

L

T

I

V

Y

A

E

H

S

A

R

R

R

K

S

A

M

I

H

H

R

K

I

I

L

L

H

K

G

G

M

N

D

D

D

D

R

R

L

L

I

L

V

V

V

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

V

A

A

A

A

L

K

E

E

Y

Y

A

A

G

T

R

R

L

L

V

L

K

A

E

L

R

R

E

E

R

E

F

L

K

K

G

D

E

E

L

L

E

E

I

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

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

H

L

M

D

D

N

N

S

S

F

F

K

Q

I

I

N

N

E

D

G

G

L

L

R

R

T

I

A

A

R

R

E

K

L

L

L

L

L

L

Q

D

I

I

N

N

E

D

M

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

V

I

K

K

I

V

A

A

V

I

D

D

A

A

I

I

K

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

L

L

S

S

V

V

T

T

K

K

G

W

G

G

H

H

S

S

A

A

I

I

V

V

S

N

T

T

A

S

G

G

N

N

E

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

D

K

S

H

V

V

N

A

A

E

A

V

C

K

A

E

D

G

I

L

G

N

K

K

A

A

G

G

L

L

A

P

A

A

R

Q

L

V

M

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

K

K

Q

H

F

E

K

N

K

Q

Q

I

M

P

D

V

V

C

C

A

A

D

D

I

V

G

C

R

Q

Q

Q

V

I

A

A

A

G

G

G

D

E

E

K

R

A

I

I

V

I

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

N

Q

Q

D

S

L

L

K

-

E

-

G

-

C

-

A

P

L

L

T

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

E

D

D

S

T

V

D

K

A

V

L

L

L

E

R

G

Q

L

L

A

A

E

N

A

A

V

V

K

K

A

A

R

R

R

R

binding manganese (ii) ion: C55 (= C62), H262 (= H269), E296 (= E303), D316 (= D327)
binding 2-phosphoglycolic acid: R86 (= R93), K91 (= K98), G157 (= G164), 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)
67% identity, 96% coverage: 9:350/357 of query aligns to 1:337/338 of 1qr7A

query
sites
1qr7A

V

L

R

R

I

I

R

K

E

E

L

I

K

K

E

E

L

L

T

L

P

P

P

P

A

V

H

A

L

L

I

L

R

E

E

K

F

F

A

P

C

A

S

T

E

E

A

N

A

A

S

A

E

N

L

T

I

V

Y

A

E

H

S

A

R

R

R

K

S

A

M

I

H

H

R

K

I

I

L

L

H

K

G

G

M

N

D

D

D

D

R

R

L

L

I

L

V

V

V

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

V

A

A

A

A

L

K

E

E

Y

Y

A

A

G

T

R

R

L

L

V

L

K

A

E

L

R

R

E

E

R

E

F

L

K

K

G

D

E

E

L

L

E

E

I

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

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

H

L

M

D

D

N

N

S

S

F

F

K

Q

I

I

N

N

E

D

G

G

L

L

R

R

T

I

A

A

R

R

E

K

L

L

L

L

L

L

Q

D

I

I

N

N

E

D

M

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

V

I

K

K

I

V

A

A

V

I

D

D

A

A

I

I

K

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

L

L

S

S

V

V

T

T

K

K

G

W

G

G

H

H

S

S

A

A

I

I

V

V

S

N

T

T

A

S

G

G

N

N

E

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

D

K

S

H

V

V

N

A

A

E

A

V

C

K

A

E

D

G

I

L

G

N

K

K

A

A

G

G

L

L

A

P

A

A

R

Q

L

V

M

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

K

K

Q

H

F

E

K

N

K

Q

Q

I

M

P

D

V

V

C

C

A

A

D

D

I

V

G

C

R

Q

Q

Q

V

I

A

A

A

G

G

G

D

E

E

K

R

A

I

I

V

I

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

N

Q

Q

D

S

L

L

K

-

E

-

G

-

C

-

A

-

L

L

T

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

E

D

D

S

T

V

D

K

A

V

L

L

L

E

R

G

Q

L

L

A

A

E

N

A

A

V

V

K

K

A

A

R

R

R

R

binding lead (ii) ion: C54 (= C62), H261 (= H269), E295 (= E303), D314 (= D327)
binding phosphoenolpyruvate: R85 (= R93), Y87 (= Y95), R158 (= R166), K179 (= K187), R227 (= R235), H261 (= H269)

7rueA Dahp synthase complexed with trifluoropyruvate semicarbazone (see paper)
67% identity, 97% coverage: 6:350/357 of query aligns to 1:339/339 of 7rueA

query
sites
7rueA

T

N

D

D

D

D

V

L

R

R

I

I

R

K

E

E

L

I

K

K

E

E

L

L

T

L

P

P

P

P

A

V

H

A

L

L

I

L

R

E

E

K

F

F

A

P

C

A

S

T

E

E

A

N

A

A

S

A

E

N

L

T

I

V

Y

A

E

H

S

A

R

R

R

K

S

A

M

I

H

H

R

K

I

I

L

L

H

K

G

G

M

N

D

D

D

D

R

R

L

L

I

L

V

V

V

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

V

A

A

A

A

L

K

E

E

Y

Y

A

A

G

T

R

R

L

L

V

L

K

A

E

L

R

R

E

E

R

E

F

L

K

K

G

D

E

E

L

L

E

E

I

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

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

H

L

M

D

D

N

N

S

S

F

F

K

Q

I

I

N

N

E

D

G

G

L

L

R

R

T

I

A

A

R

R

E

K

L

L

L

L

L

L

Q

D

I

I

N

N

E

D

M

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

V

I

K

K

I

V

A

A

V

I

D

D

A

A

I

I

K

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

L

L

S

S

V

V

T

T

K

K

G

W

G

G

H

H

S

S

A

A

I

I

V

V

S

N

T

T

A

S

G

G

N

N

E

G

D

D

C

C

H

H

V

I

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

D

K

S

H

V

V

N

A

A

E

A

V

C

K

A

E

D

G

I

L

G

N

K

K

A

A

G

G

L

L

A

P

A

A

R

Q

L

V

M

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

S

S

K

-

K

Q

H

F

E

K

N

K

Q

Q

I

M

P

D

V

V

C

C

A

A

D

D

I

V

G

C

R

Q

Q

Q

V

I

A

A

A

G

G

G

D

E

E

K

R

A

I

I

V

I

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

N

Q

Q

D

S

L

L

K

-

E

-

G

-

C

-

A

-

L

L

T

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

E

D

D

S

T

V

D

K

A

V

L

L

L

E

R

G

Q

L

L

A

A

E

N

A

A

V

V

K

K

A

A

R

R

R

R

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 (= D327)

5cksA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
66% identity, 97% coverage: 6:350/357 of query aligns to 1:338/339 of 5cksA

query
sites
5cksA

T

N

D

D

D

D

V

L

R

R

I

I

R

K

E

E

L

I

K

K

E

E

L

L

T

L

P

P

P

P

A

V

H

A

L

L

I

L

R

E

E

K

F

F

A

P

C

A

S

T

E

E

A

N

A

A

S

A

E

N

L

T

I

V

Y

A

E

H

S

A

R

R

R

K

S

A

M

I

H

H

R

K

I

I

L

L

H

K

G

G

M

N

D

D

D

D

R

R

L

L

I

L

V

V

V

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

P

K

V

A

A

A

A

L

K

E

E

Y

Y

A

A

G

T

R

R

L

L

V

L

K

A

E

L

R

R

E

E

R

E

F

L

K

K

G

D

E

E

L

L

E

E

I

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

L

M

D

D

N

N

S

S

F

F

K

Q

I

I

N

N

E

D

G

G

L

L

R

R

T

I

A

A

R

R

E

K

L

L

L

L

L

L

Q

D

I

I

N

N

E

D

M

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

Y

F

L

L

D
|
D

M

M

I

I

S
x
T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

V

I

K

K

I

V

A

A

V

I

D

D

A

A

I

I

K

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

L

L

S

S

V

V

T

T

K

K

G

W

G

G

H

H

S

S

A

A

I

I

V

V

S

N

T

T

A

S

G

G

N

N

E

G

D

D

C

C

H

H

V

I

I

I

L

L

R

R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

D

K

S

H

V

V

N

A

A

E

A

V

C

K

A

E

D

G

I

L

G

N

K

K

A

A

G

G

L

L

A

P

A

A

R

Q

L

V

M

M

I

I

D

D

A

F

S

S

H

H

A

A

N

N

S

S

S

S

K

K

K

Q

H

F

E

K

N

K

Q

Q

I

M

P

D

V

V

C

C

A

A

D

D

I

V

G

C

R

Q

Q

Q

V

I

A

A

A

G

G

G

D

E

E

K

R

A

I

I

V

I

G

G

V

V

M

M

I

V

E

E

S

S

H

H

L

L

V

V

E

E

G

G

R

N

Q

Q

D

S

L

L

K

-

E

-

G

-

C

-

A

-

L

L

T

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

A

A

C

C

I

I

A

G

W

W

D

E

D

D

S

T

V

D

K

A

V

L

L

L

E

R

G

Q

L

L

A

A

E

N

A

A

V

V

K

K

A

A

R

R

R

R

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)
66% identity, 96% coverage: 8:350/357 of query aligns to 1:335/336 of 8e0sA

query
sites
8e0sA

D

D

V

L

R

R

I

I

R

K

E

E

L

I

K

K

E

E

L

L

T

L

P

P

P

P

A

V

H

A

L

L

I

L

R

E

E

K

F

F

A

P

C

A

S

T

E

E

A

N

A

A

S

A

E

N

L

T

I

V

Y

A

E

H

S

A

R

R

R

K

S

A

M

I

H

H

R

K

I

I

L

L

H

K

G

G

M

N

D

D

D

D

R

R

L

L

I

L

V

V

V

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

P

K

V

A

A

A

A

L

K

E

E

Y

Y

A

A

G

T

R

R

L

L

V

L

K

A

E

L

R

R

E

E

R

E

F

L

K

K

G

D

E

E

L

L

E

E

I

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

-

T

-

V

-

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

N

N

S

S

F

F

K

Q

I

I

N

N

E

D

G

G

L

L

R

R

T

I

A

A

R

R

E

K

L

L

L

L

L

L

Q

D

I

I

N

N

E

D

M

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

V

I

K

K

I

V

A

A

V

I

D

D

A

A

I

I

K

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

L

L

S

S

V

V

T

T

K

K

G

W

G

G

H

H

S

S

A

A

I

I

V

V

S

N

T

T

A
x
S

G
|
G

N

N

E
x
G

D

D

C

C

H

H

V

I

I

I

L

L

R

R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

D

K

S

H

V

V

N

A

A

E

A

V

C

K

A

E

D

G

I

L

G

N

K

K

A

A

G

G

L

L

A

P

A

A

R

Q

L

V

M

M

I

I

D

D

A

F

S

S

H

H

A

A

N

N

S

S

S

S

K

K

K

Q

H

F

E

K

N

K

Q

Q

I

M

P

D

V

V

C

C

A

A

D

D

I

V

G

C

R

Q

Q

Q

V

I

A

A

A

G

G

G

D

E

E

K

R

A

I

I

V

I

G

G

V

V

M

M

I

V

E

E

S

S

H

H

L

L

V

V

E

E

G

G

R

N

Q

Q

D

S

L

L

K

-

E

-

G

-

C

-

A

-

L

L

T

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

A

A

C

C

I

I

A

G

W

W

D

E

D

D

S

T

V

D

K

A

V

L

L

L

E

R

G

Q

L

L

A

A

E

N

A

A

V

V

K

K

A

A

R

R

R

R

binding alpha-D-glucopyranose: S215 (≠ A225), G216 (= G226), G218 (≠ E228)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
65% identity, 97% coverage: 6:353/357 of query aligns to 2:344/344 of 5dceA

query
sites
5dceA

T

T

D

D

D

D

V

I

R

K

I

I

R

K

E

E

L

V

K

K

E

E

L

L

T

L

P

P

P

P

A

I

H

A

L

H

I

L

R

Y

E

E

F

L

A

P

C

I

S

S

E

K

A

E

A

A

S

S

E

G

L

L

I

V

Y

H

E

R

S

T

R

R

R

Q

S

E

M

I

H

S

R

D

I

L

L

V

H

H

G

G

M

R

D

D

D

K

R

R

L

L

I

L

V

V

V

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

K

A

A

A

A

L

L

E

E

Y

Y

A

A

G

E

R

R

L

L

V

L

K

K

E

L

R

R

E

K

R

Q

F

Y

K

E

G

N

E

E

L

L

E

L

I

I

V

V

M

M

R

R

V

V

Y

Y

F

F

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

H

L

L

D

D

N

G

S

T

F

F

K

D

I

I

N

N

E

F

G

G

L

L

R

R

T

Q

A

A

R

R

E

S

L

L

L

L

L

L

Q

S

I

L

N

N

E

N

M

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

V

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

N

V

L

K

K

I

I

A

A

V

I

D

D

A

A

I

I

K

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

L

L

S
|
S

V
|
V

T

T

K

K

G

A

G

G

H

H

S

S

A

A

I

I

V
|
V

S

H

T

T

A

G

G

G

N

N

E

P

D

D

C

C

H

H

V

V

I

I

L

L

R

R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

D

E

S

H

V

V

N

S

A

E

A

A

C

A

A

E

D

Q

I

L

G

R

K

A

A

A

G

G

L

V

A

T

A

D

R

K

L

L

M

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

K

D

H

Y

E

T

N

R

Q

Q

I

M

P

E

V

V

C

A

A

Q

D

D

I

I

G

A

R

A

Q

Q

V

L

A

E

A

Q

G

D

D

G

E

G

R

N

I

I

V

M

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

R

Q

Q

D

D

L

K

K

P

E

E

G

-

C

-

A

-

L

-

T

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

G

D

A

S

T

V

E

K

E

V

L

L

L

E

A

G

L

L

L

A

A

E

G

A

A

V

N

K

K

A

-

R

K

R

R

V

M

A

A

R

R

binding manganese (ii) ion: C58 (= C62), H265 (= H269), E299 (= E303), D319 (= D327)
binding tryptophan: Q148 (= Q152), L176 (= L180), S177 (= S181), S208 (= S212), V209 (= V213), V218 (= V222)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
65% identity, 97% coverage: 6:353/357 of query aligns to 4:346/346 of 5dcdA

query
sites
5dcdA

T

T

D

D

D

D

V

I

R

K

I

I

R

K

E

E

L

V

K

K

E

E

L

L

T

L

P

P

P

P

A

I

H

A

L

H

I

L

R

Y

E

E

F

L

A

P

C

I

S

S

E

K

A

E

A

A

S

S

E

G

L

L

I

V

Y

H

E

R

S

T

R

R

R

Q

S

E

M

I

H

S

R

D

I

L

L

V

H

H

G

G

M

R

D

D

D

K

R

R

L

L

I

L

V

V

V

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

K

A

A

A

A

L

L

E

E

Y

Y

A

A

G

E

R

R

L

L

V

L

K

K

E

L

R

R

E

K

R

Q

F

Y

K

E

G

N

E

E

L

L

E

L

I

I

V

V

M

M

R

R

V

V

Y

Y

F

F

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

H

L

L

D

D

N

G

S

T

F

F

K

D

I

I

N

N

E

F

G

G

L

L

R

R

T

Q

A

A

R

R

E

S

L

L

L

L

L

L

Q

S

I

L

N

N

E

N

M

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

A
|
A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

V

L

K

K

I

I

A

A

V

I

D

D

A

A

I

I

K

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

L

L

S
|
S

V

V

T

T

K

K

G

A

G

G

H

H

S

S

A

A

I

I

V
|
V

S

H

T

T

A

G

G

G

N

N

E

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

D

E

S

H

V

V

N

S

A

E

A

A

C

A

A

E

D

Q

I

L

G

R

K

A

A

A

G

G

L

V

A

T

A

D

R

K

L

L

M

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

K

D

H

Y

E

T

N

R

Q

Q

I

M

P

E

V

V

C

A

A

Q

D

D

I

I

G

A

R

A

Q

Q

V

L

A

E

A

Q

G

D

D

G

E

G

R

N

I

I

V

M

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

R

Q

Q

D

D

L

K

K

P

E

E

G

-

C

-

A

-

L

-

T

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

G

D

A

S

T

V

E

K

E

V

L

L

L

E

A

G

L

L

L

A

A

E

G

A

A

V

N

K

K

A

-

R

K

R

R

V

M

A

A

R

R

binding manganese (ii) ion: C60 (= C62), H267 (= H269), E301 (= E303), D321 (= D327)
binding trimethylamine oxide: A163 (= A165), K185 (= K187), R233 (= R235), H267 (= H269)
binding tyrosine: Q150 (= Q152), A153 (= A155), L178 (= L180), S179 (= S181), S210 (= S212), V220 (= V222)

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
65% identity, 97% coverage: 6:353/357 of query aligns to 6:348/348 of 5dcbC

query
sites
5dcbC

T

T

D

D

D

D

V

I

R

K

I

I

R

K

E

E

L

V

K

K

E

E

L

L

T

L

P

P

P

P

A

I

H

A

L

H

I

L

R

Y

E

E

F

L

A

P

C

I

S

S

E

K

A

E

A

A

S

S

E

G

L

L

I

V

Y

H

E

R

S

T

R

R

R

Q

S

E

M

I

H

S

R

D

I

L

L

V

H

H

G

G

M

R

D

D

D

K

R

R

L

L

I

L

V

V

V

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

K

A

A

A

A

L

L

E

E

Y

Y

A

A

G

E

R

R

L

L

V

L

K

K

E

L

R

R

E

K

R

Q

F

Y

K

E

G

N

E

E

L

L

E

L

I

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

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

H

L

L

D

D

N

G

S

T

F

F

K

D

I

I

N

N

E

F

G

G

L

L

R

R

T

Q

A

A

R

R

E

S

L

L

L

L

L

L

Q

S

I

L

N

N

E

N

M

M

G

G

L

M

P

P

A

A

A

S

T

T

E
|
E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

A
|
A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

V

L

K

K

I

I

A

A

V

I

D

D

A

A

I

I

K

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F
|
F

L

L

S
|
S

V

V

T

T

K

K

G

A

G

G

H

H

S

S

A

A

I

I

V
|
V

S

H

T

T

A

G

G

G

N

N

E

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

D

E

S

H

V

V

N

S

A

E

A

A

C

A

A

E

D

Q

I

L

G

R

K

A

A

A

G

G

L

V

A

T

A

D

R

K

L

L

M

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

K

D

H

Y

E

T

N

R

Q

Q

I

M

P

E

V

V

C

A

A

Q

D

D

I

I

G

A

R

A

Q

Q

V

L

A

E

A

Q

G

D

D

G

E

G

R

N

I

I

V

M

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

R

Q

Q

D

D

L

K

K

P

E

E

G

-

C

-

A

-

L

-

T

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

G

D

A

S

T

V

E

K

E

V

L

L

L

E

A

G

L

L

L

A

A

E

G

A

A

V

N

K

K

A

-

R

K

R

R

V

M

A

A

R

R

binding manganese (ii) ion: C62 (= C62), K98 (= K98), H269 (= H269), E303 (= E303), D323 (= D327)
binding phosphoenolpyruvate: R93 (= R93), Y95 (= Y95), E144 (= E144), K187 (= K187), R235 (= R235), H269 (= H269)
binding phenylalanine: Q152 (= Q152), A155 (= A155), L180 (= L180), S181 (= S181), F210 (= F210), S212 (= S212), V222 (= V222)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
65% identity, 97% coverage: 6:353/357 of query aligns to 2:344/345 of 4hsoA

query
sites
4hsoA

T

T

D

D

D

D

V

I

R

K

I

I

R

K

E

E

L

V

K

K

E

E

L

L

T

L

P

P

P

P

A

I

H

A

L

H

I

L

R

Y

E

E

F

L

A

P

C

I

S

S

E

K

A

E

A

A

S

S

E

G

L

L

I

V

Y

H

E

R

S

T

R

R

R

Q

S

E

M

I

H

S

R

D

I

L

L

V

H

H

G

G

M

R

D

D

D

K

R

R

L

L

I

L

V

V

V

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

K

A

A

A

A

L

L

E

E

Y

Y

A

A

G

E

R

R

L

L

V

L

K

K

E

L

R

R

E

K

R

Q

F

Y

K

E

G

N

E

E

L

L

E

L

I

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

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

H

L

L

D

D

N

G

S

T

F

F

K

D

I

I

N

N

E

F

G

G

L

L

R

R

T

Q

A

A

R

R

E

S

L

L

L

L

L

L

Q

S

I

L

N

N

E

N

M

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L
|
L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

V

L

K

K

I

I

A

A

V

I

D

D

A

A

I

I

K

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

L

L

S

G

V

V

T

T

K

K

G

A

G

G

H

H

S

S

A

A

I

I

V

V

S

H

T

T

A

G

G

G

N

N

E

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

D

E

S

H

V

V

N

S

A

E

A

A

C

A

A

E

D

Q

I

L

G

R

K

A

A

A

G

G

L

V

A

T

A

D

R

K

L

L

M

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

K

D

H

Y

E

T

N

R

Q

Q

I

M

P

E

V

V

C

A

A

Q

D

D

I

I

G

A

R

A

Q

Q

V

L

A

E

A

Q

G

D

D

G

E

G

R

N

I

I

V

M

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

R

Q

Q

D

D

L

K

K

P

E

E

G

-

C

-

A

-

L

-

T

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

G

D

A

S

T

V

E

K

E

V

L

L

L

E

A

G

L

L

L

A

A

E

G

A

A

V

N

K

K

A

-

R

K

R

R

V

M

A

A

R

R

binding manganese (ii) ion: C58 (= C62), H265 (= H269), E299 (= E303), D319 (= D327)
binding phosphoenolpyruvate: R89 (= R93), A161 (= A165), R162 (= R166), K183 (= K187), R231 (= R235), H265 (= H269)
binding tyrosine: Q148 (= Q152), L172 (= L176), L176 (= L180), S177 (= S181)

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)
65% identity, 95% coverage: 15:353/357 of query aligns to 1:334/335 of 4umbA

query
sites
4umbA

K

K

E

E

L

L

T

L

P

P

P

P

A

I

H

A

L

H

I

L

R

Y

E

E

F

L

A

P

C

I

S

S

E

K

A

E

A

A

S

S

E

G

L

L

I

V

Y

H

E

R

S

T

R

R

R

Q

S

E

M

I

H

S

R

D

I

L

L

V

H

H

G

G

M

R

D

D

D

K

R

R

L

L

I

L

V

V

V

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

K

A

A

A

A

L

L

E

E

Y

Y

A

A

G

E

R

R

L

L

V

L

K

K

E

L

R

R

E

K

R

Q

F

Y

K

E

G

N

E

E

L

L

E

L

I

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

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

H

L

L

D

D

N

G

S

T

F

F

K

D

I

I

N

N

E

F

G

G

L

L

R

R

T

Q

A

A

R

R

E

S

L

L

L

L

L

L

Q

S

I

L

N

N

E

N

M

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

V

L

K

K

I

I

A

A

V

I

D

D

A

A

I

I

K

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

L

L

S

S

V

V

T

T

K

K

G

A

G

G

H

H

S

S

A

A

I

I

V

V

S

H

T

T

A

G

G

G

N

N

E

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

D

E

S

H

V

V

N

S

A

E

A

A

C

A

A

E

D

Q

I

L

G

R

K

A

A

A

G

G

L

V

A

T

A

D

R

K

L

L

M

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

K

D

H

Y

E

T

N

R

Q

Q

I

M

P

E

V

V

C

A

A

Q

D

D

I

I

G

A

R

A

Q

Q

V

L

A

E

A

Q

G

D

D

G

E

G

R

N

I

I

V

M

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

R

Q

Q

D

D

L

K

K

P

E

E

G

-

C

-

A

-

L

-

T

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

G

D

A

S

T

V

E

K

E

V

L

L

L

E

A

G

L

L

L

A

A

E

G

A

A

V

N

K

K

A

-

R

K

R

R

V

M

A

A

R

R

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 (= D327)

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)
65% identity, 95% coverage: 15:353/357 of query aligns to 1:334/334 of 4umcA

query
sites
4umcA

K

K

E

E

L

L

T

L

P

P

P

P

A

I

H

A

L

H

I

L

R

Y

E

E

F

L

A

P

C

I

S

S

E

K

A

E

A

A

S

S

E

G

L

L

I

V

Y

H

E

R

S

T

R

R

R

Q

S

E

M

I

H

S

R

D

I

L

L

V

H

H

G

G

M

R

D

D

D

K

R

R

L

L

I

L

V

V

V

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

K

A

A

A

A

L

L

E

E

Y

Y

A

A

G

E

R

R

L

L

V

L

K

K

E

L

R

R

E

K

R

Q

F

Y

K

E

G

N

E

E

L

L

E

L

I

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

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

H

L

L

D

D

N

G

S

T

F

F

K

D

I

I

N

N

E

F

G

G

L

L

R

R

T

Q

A

A

R

R

E

S

L

L

L

L

L

L

Q

S

I

L

N

N

E

N

M

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G
|
G

A

A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

V

L

K

K

I

I

A

A

V

I

D

D

A

A

I

I

K

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

L

L

S

S

V

V

T

T

K

K

G

A

G

G

H

H

S

S

A

A

I

I

V

V

S

H

T

T

A

G

G

G

N

N

E

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

D

E

S

H

V

V

N

S

A

E

A

A

C

A

A

E

D

Q

I

L

G

R

K

A

A

A

G

G

L

V

A

T

A

D

R

K

L

L

M

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

K

D

H

Y

E

T

N

R

Q

Q

I

M

P

E

V

V

C

A

A

Q

D

D

I

I

G

A

R

A

Q

Q

V

L

A

E

A

Q

G

D

D

G

E

G

R

N

I

I

V

M

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

R

Q

Q

D

D

L

K

K

P

E

E

G

-

C

-

A

-

L

-

T

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

G

D

A

S

T

V

E

K

E

V

L

L

L

E

A

G

L

L

L

A

A

E

G

A

A

V

N

K

K

A

-

R

K

R

R

V

M

A

A

R

R

binding manganese (ii) ion: C48 (= C62), H255 (= H269), E289 (= E303), D309 (= D327)
binding l-phospholactate: R79 (= R93), K84 (= K98), G150 (= G164), R152 (= R166), K173 (= K187), R221 (= R235), H255 (= H269)

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)
65% identity, 95% coverage: 16:353/357 of query aligns to 1:333/333 of 4umaA

query
sites
4umaA

E

E

L

L

T

L

P

P

P

P

A

I

H

A

L

H

I

L

R

Y

E

E

F

L

A

P

C

I

S

S

E

K

A

E

A

A

S

S

E

G

L

L

I

V

Y

H

E

R

S

T

R

R

R

Q

S

E

M

I

H

S

R

D

I

L

L

V

H

H

G

G

M

R

D

D

D

K

R

R

L

L

I

L

V

V

V

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

K

A

A

A

A

L

L

E

E

Y

Y

A

A

G

E

R

R

L

L

V

L

K

K

E

L

R

R

E

K

R

Q

F

Y

K

E

G

N

E

E

L

L

E

L

I

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

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

H

L

L

D

D

N

G

S

T

F

F

K

D

I

I

N

N

E

F

G

G

L

L

R

R

T

Q

A

A

R

R

E

S

L

L

L

L

L

L

Q

S

I

L

N

N

E

N

M

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

Y

F

L

L

D

D

M

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

V

L

K

K

I

I

A

A

V

I

D

D

A

A

I

I

K

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

L

L

S

S

V

V

T

T

K

K

G

A

G

G

H

H

S

S

A

A

I

I

V

V

S

H

T

T

A

G

G

G

N

N

E

P

D

D

C

C

H

H

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

D

E

S

H

V

V

N

S

A

E

A

A

C

A

A

E

D

Q

I

L

G

R

K

A

A

A

G

G

L

V

A

T

A

D

R

K

L

L

M

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

S

R

K

K

K

D

H

Y

E

T

N

R

Q

Q

I

M

P

E

V

V

C

A

A

Q

D

D

I

I

G

A

R

A

Q

Q

V

L

A

E

A

Q

G

D

D

G

E

G

R

N

I

I

V

M

G

G

V

V

M

M

I

V

E
|
E

S

S

H

H

L

L

V

V

E

E

G

G

R

R

Q

Q

D

D

L

K

K

P

E

E

G

-

C

-

A

-

L

-

T

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

A

A

C

C

I

I

A

G

W

W

D

G

D

A

S

T

V

E

K

E

V

L

L

L

E

A

G

L

L

L

A

A

E

G

A

A

V

N

K

K

A

-

R

K

R

R

V

M

A

A

R

R

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 (= D327)

3tqkA Structure of phospho-2-dehydro-3-deoxyheptonate aldolase from francisella tularensis schu s4 (see paper)
55% identity, 95% coverage: 11:350/357 of query aligns to 2:340/341 of 3tqkA

query
sites
3tqkA

I

I

R

K

E

K

L

E

K

K

E

V

L

L

T

I

P

P

P

A

A

E

H

V

L

L

I

I

R

Q

E

D

F

I

A

P

C

L

S

L

E

K

A

T

A

S

S

F

E

E

L

T

I

V

Y

R

E

K

S

S

R

R

R

K

S

E

M

I

H

A

R

N

I

I

L

I

H

H

G

G

M

N

D

D

D

D

R

R

L

V

I

A

V

V

V

V

I

V

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

K

A

A

A

A

A

L

I

E

E

Y

Y

A

A

G

T

R

K

L

L

V

K

K

E

E

Q

R

V

E

K

R

K

F

F

K

H

G

K

E

D

L

I

E

L

I

I

V

I

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

T

T

V

I

G

G

W

W

K

K

G

G

L

F

I

I

N

N

D

D

P

P

H

D

L

L

D

D

N

N

S

S

F

Y

K

N

I

I

N

N

E

K

G

G

L

L

R

R

T

L

A

A

R

R

E

N

L

L

L

L

L

S

Q

D

I

L

N

T

E

N

M

M

G

G

L

L

P

P

A

C

A

A

T

T

E

E

Y

F

L

L

D

D

M

V

I

I

S

T

P

P

Q

Q

Y

Y

I

F

A

A

D

E

L

L

I

I

S

T

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

T

V

E

E

S

S

Q

Q

V

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

A

P

S

V

I

G

G

F

F

K

K

N

N

G

A

T

T

D

N

G

G

N

D

V

V

K

Q

I

V

A

A

V

V

D

D

A

A

I

V

K

K

A

S

A

A

S

T

Q

Y

P

P

H

H

H

H

F

F

L

L

S

S

V

T

T

T

K

K

G

S

G

G

H

S

S

T

A

A

I

I

V

F

S

A

T

T

A

K

G

G

N

N

E

Q

D

N

C

G

H

H

V

V

I

I

L

L

R

R

G

G

G

G

K

A

T

S

-

G

P

P

N

N

Y

F

D

S

A

K

D

E

S

H

V

V

N

D

A

D

A

C

C

I

A

A

D

K

I

L

G

K

K

K

A

A

G

D

L

I

A

N

A

T

R

K

L

V

M

M

I

I

D

D

A

C

S

S

H
|
H

A

G

N

N

S

S

S

Q

K

K

K

D

H

H

E

S

N

K

Q

Q

I

I

P

S

V

V

C

L

A

A

D

D

I

I

G

C

R

E

Q

Q

V

I

A

K

A

H

G

S

D

N

E

D

R

-

I

I

V

F

G

G

V

V

M

M

I

I

E
|
E

S

S

H

N

L

L

V

V

E

A

G

G

R

N

Q

Q

D

D

L

I

K

N

E

K

G

K

C

-

A

P

L

L

T

T

Y

Y

G

G

Q

Q

S

S

I

V

T

T

D
|
D

A

K

C

C

I

V

A

D

W

F

D

E

D

E

S

T

V

V

K

K

V

M

L

L

E

E

G

M

L

L

A

A

E

E

A

A

V

V

K

Q

A

V

R

R

R

R

binding manganese (ii) ion: C53 (= C62), H261 (= H269), E294 (= E303), D317 (= D327)

7reuB Crystal structure of aro4p, 3-deoxy-d-arabino-heptulosonate-7- phosphate (dahp) synthase from candida auris, l-tyr complex
54% identity, 97% coverage: 7:354/357 of query aligns to 4:358/358 of 7reuB

query
sites
7reuB

D
|
D

D
|
D

V

T

R

R

I

I

R

M

E

G

L

Y

K

D

E

P

L

L

T

I

P

P

P

P

A

A

H

L

L

L

I

Q

R

N

E

E

F

I

A

K

C

A

S

S

E

K

A

K

A

S

S

L

E

E

L

T

I

V

Y

I

E

K

S

G

R

R

R

V

S

D

M

A

H

S

R

R

I

I

L

I

H

G

G

G

M

K

D

D

D

D

R

R

L

C

I

L

V

V

V

I

I

V

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

P

K

E

A

A

A

A

L

L

E

E

Y

Y

A

A

G

N

R

R

L

L

V

K

K

K

E

I

R

S

E

E

R

E

F

L

K

E

G

N

E

D

L

L

E

V

I

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

N

L

V

D

D

N

N

S

S

F

F

K

D

I

I

N

N

E

K

G

G

L

L

R

R

T

V

A

S

R

R

E

K

L

L

L

Y

L

A

Q

D

I

L

N

T

-

G

E

A

M

V

G

G

L

I

P

P

A

I

A

G

T

S

E

E

Y

M

L

L

D

D

M
x
T

I

I

S

S

P

P

Q
|
Q

Y

Y

I

F

A
x
S

D

D

L

L

I

L

S

S

W

F

G

G

A

A

I

V

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

L

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

F

P

P

V

I

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

N

V

V

K

G

I

V

A

A

V

L

D

D

A

A

I

V

K

Q

A

A

A

S

S

S

Q

K

P

G

H

H

H

H

F

F

L

M

S

G

V

V

T

T

K

K

G

N

G

G

H

L

S

A

A

A

I

I

V

T

S

T

T

T

A

K

G

G

N

N

E

D

D

H

C

C

H

F

V

I

I

I

L

L

R

R

G

G

G

G

K

K

T

N

-

L

P

T

N

N

Y

Y

D

D

A

L

D

Q

S

S

V

V

N

Q

A

S

A

A

C

K

A

S

D

A

I

I

G

A

K

K

A

S

G

S

L

N

A

P

-

N

A

I

R

K

L

I

M

M

I

I

D

D

A

C

S

S

H

H

A

D

N

N

S

S

S

K

K

K

K

D

H

Y

E

R

N

N

Q

Q

I

P

P

A

V

V

C

L

A

E

D

D

I

V

G

S

R

R

Q

Q

V

I

A

E

A

A

G

G

D

E

E

N

R

A

I

L

V

M

G

G

V

V

M

M

I

I

E

E

S

S

H

N

L

I

V

N

E

E

G

G

R

K

Q

Q

D

S

L

M

K

P

E

S

G

G

-

N

-

E

-

G

-

K

C

S

A

A

L

L

T

K

Y

Y

G

G

Q

V

S

S

I

I

T

T

D

D

A

S

C

C

I

V

A

S

W

W

D

D

D

T

S

T

V

V

K

K

V

M

L

L

E

N

G

N

L

L

A

A

E

R

A

A

V

V

K

Q

A

K

R

R

R

R

V

Q

A

K

R

N

G

G

binding tyrosine: D4 (= D7), D5 (= D8), T146 (≠ M148), Q150 (= Q152), S153 (≠ A155), L178 (= L180), S179 (= S181)

1ofoA Crystal structure of the tyrosine regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from saccharomyces cerevisiae in complex with 2-phosphoglycolate (see paper)
56% identity, 96% coverage: 8:350/357 of query aligns to 1:340/344 of 1ofoA

query
sites
1ofoA

D

D

V

V

R

R

I

I

R

L

E

G

L

Y

K

D

E

P

L

L

T

A

P

S

P

P

A

A

H

L

L

L

I

Q

R

V

E

Q

F

I

A

P

C

A

S

T

E

P

A

T

A

S

S

L

E

E

L

T

I

A

Y

K

E

R

S

G

R

R

R

R

S

E

M

A

H

I

R

D

I

I

L

I

H

T

G

G

M

K

D

D

D

D

R

R

L

V

I

L

V

V

V

I

I

V

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

L

K

E

A

A

A

A

L

Q

E

E

Y

Y

A

A

G

L

R

R

L

L

V

K

K

K

E

L

R

S

E

D

R

E

F

L

K

K

G

G

E

D

L

L

E

S

I

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

L

V

D

N

N

N

S

T

F

F

K

N

I

I

N

N

E

K

G

G

L

L

R

Q

T

S

A

A

R

R

E

Q

L

L

L

F

L

V

Q

N

I

L

N

T

E

N

M

I

G

G

L

L

P

P

A

I

A

G

T

S

E

E

Y

M

L

L

D

D

M

T

I

I

S

S

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

V

S

S

W

F

G

G

A

A

I

I

G
|
G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

V

L

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

C

F

P

P

V

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

V

L

K

N

I

V

A

A

V

V

D

D

A

A

I

C

K

Q

A

A

A

A

S

A

Q

H

P

S

H

H

H

H

F

F

L

M

S

G

V

V

T

T

K

K

G

H

G

G

H

V

S

A

A

A

I

I

V

T

S

T

T

T

A

K

G

G

N

N

E

E

D

H

C

C

H

F

V

V

I

I

L

L

R
|
R

G

G

G

G

K

K

T

K

-

G

P

T

N

N

Y

Y

D

D

A

A

D

K

S

S

V

V

N

A

A

E

A

A

C

K

A

A

D

Q

I

L

G

-

K

P

A

A

G

G

L

-

A

S

A

N

R

G

L

L

M

M

I

I

D

D

A

Y

S

S

H
|
H

A

G

N

N

S

S

S

N

K

K

K

D

H

F

E

R

N

N

Q

Q

I

P

P

K

V

V

C

N

A

D

D

V

I

V

G

C

R

E

Q

Q

V

I

A

A

A

N

G

G

D

E

E

N

R

A

I

I

V

T

G

G

V

V

M

M

I

I

E

E

S

S

H

N

L

I

V

N

E

E

G

G

R

N

Q

Q

D

G

L

I

K

P

E

A

G

G

C

-

A

-

L

L

T

K

Y

Y

G

G

Q

V

S

S

I

I

T

T

D

D

A

A

C

C

I

I

A

G

W

W

D

E

D

T

S

T

V

E

K

D

V

V

L

L

E

R

G

K

L

L

A

A

E

A

A

A

V

V

K

R

A

Q

R

R

R

R

binding 2-phosphoglycolic acid: R86 (= R93), G157 (= G164), K180 (= K187), R228 (= R235), H261 (= H269)

Query Sequence

>WP_011883337.1 NCBI__GCF_000016205.1:WP_011883337.1
MPPHNTDDVRIRELKELTPPAHLIREFACSEAASELIYESRRSMHRILHGMDDRLIVVIG
PCSIHDTKAALEYAGRLVKERERFKGELEIVMRVYFEKPRTTVGWKGLINDPHLDNSFKI
NEGLRTARELLLQINEMGLPAATEYLDMISPQYIADLISWGAIGARTTESQVHRELASGL
SCPVGFKNGTDGNVKIAVDAIKAASQPHHFLSVTKGGHSAIVSTAGNEDCHVILRGGKTP
NYDADSVNAACADIGKAGLAARLMIDASHANSSKKHENQIPVCADIGRQVAAGDERIVGV
MIESHLVEGRQDLKEGCALTYGQSITDACIAWDDSVKVLEGLAEAVKARRVARGSGN

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