SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011652224.1 NCBI__GCF_000009265.1:WP_011652224.1 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)
60% identity, 99% coverage: 1:349/353 of query aligns to 1:349/350 of 1kflA

query
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1kflA

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binding manganese (ii) ion: C61 (= C61), K97 (= K97), H268 (= H268), E302 (= E302), D326 (= D326)
binding phosphoenolpyruvate: R92 (= R92), K186 (= K186), R234 (= R234), H268 (= H268)
binding phenylalanine: Q151 (= Q151), A154 (= A154), L179 (= L179), S180 (= S180), F209 (= F209), S211 (≠ A211), V221 (≠ A221)

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)
60% identity, 99% coverage: 1:349/353 of query aligns to 1:349/350 of P0AB91

query
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P0AB91

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K244 (≠ A244) modified: N6-acetyllysine

5cksB Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
61% identity, 97% coverage: 6:349/353 of query aligns to 1:344/345 of 5cksB

query
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5cksB

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binding DAHP Oxime: R87 (= R92), Y89 (= Y94), K92 (= K97), P93 (= P98), R94 (= R99), T95 (= T100), K181 (= K186), H263 (= H268), D321 (= D326)
binding beta-D-galactopyranose: K65 (≠ R70), D127 (= D132), Q165 (= Q170), E169 (≠ Q174), F204 (= F209), L205 (≠ P210)

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
61% identity, 97% coverage: 7:349/353 of query aligns to 1:343/343 of 8e0sD

query
sites
8e0sD

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C

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

G

T

V

I

R

K

V

V

A

A

L

I

D

D

A

A

I

I

L

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

P

L

A

S

V

V

T

T

K

K

D

W

G

G

Q

H

A

S

A

A

I

I

A

V

S

N

T

T

T

S

G

G

N

N

E

G

D

D

C

C

H

H

I

I

I

I

L

L

R

R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

S

A

A

A

K

D

H

V

V

E

A

A

E

V

V

T

K

G

E

E

G

A

L

V

N

K

K

L

A

G

G

V

L

A

P

P

A

R

Q

I

V

L

M

I

I

D

D

A

F

S

S

H

H

A

A

N

N

S

S

G

S

K

K

D

Q

P

F

M

K

N

K

Q

Q

P

M

L

D

V

V

V

C

K

A

S

D

V

V

A

C

A

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

S

K

D

A

I

I

K

I

G

G

M

V

M

M

I

V

E

E

S

S

N

H

L
|
L

V

V

A

E

G

G

R

N

Q

Q

D

S

L

L

V

E

P

S

G

G

K

E

P

P

L

L

V

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

G

A

C

C

I

I

D

G

W

W

E

E

M

D

S

T

V

D

A

A

V

L

L

L

E

R

D

Q

L

L

A

A

K

N

S

A

A

V

R

K

E

A

R

R

R

R

binding beta-D-glucopyranose: E65 (≠ D71), R69 (= R75), L299 (= L305)

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
61% identity, 97% coverage: 7:349/353 of query aligns to 1:343/343 of 7rudB

query
sites
7rudB

D

D

L

L

R

R

I

I

V

K

E

E

I

I

T

K

P

E

L

L

T

L

K

P

P

P

A

V

D

A

I

L

I

L

A

E

E

K

I

F

P

P

R

A

N

T

A

E

D

N

V

A

S

A

K

N

T

T

V

V

T

A

S

H

N

A

R

R

D

K

A

A

I

I

H

H

Q

K

I

I

L

L

R

K

G

G

E

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

P

P

V

V

A

A

A

A

R

K

D

E

Y

Y

A

A

A

T

R

R

L

L

T

L

E

A

Q

L

R

R

Q

E

R

E

F

L

A

K

G

D

D

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

M

I

N

N

D

D

P

P

H

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

E

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

R

K

L

L

L

L

L

L

D

D

I

I

N

N

A

D

M

S

G

G

L

L

P

P

A

A

G

A

V

G

E
|
E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

T

V

I

R

K

V

V

A

A

L

I

D

D

A

A

I

I

L

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

P

L

A

S

V

V

T

T

K

K

D

W

G

G

Q

H

A

S

A

A

I

I

A

V

S

N

T

T

T

S

G

G

N

N

E

G

D

D

C

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

S

A

A

A

K

D

H

V

V

E

A

A

E

V

V

T

K

G

E

E

G

A

L

V

N

K

K

L

A

G

G

V

L

A

P

P

A

R

Q

I

V

L

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

D

Q

P

F

M

K

N

K

Q

Q

P

M

L

D

V

V

V

C

K

A

S

D

V

V

A

C

A

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

S

K

D

A

I

I

K

I

G

G

M

V

M

M

I

V

E

E

S

S

N

H

L

L

V

V

A

E

G

G

R

N

Q

Q

D

S

L

L

V

E

P

S

G

G

K

E

P

P

L

L

V

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

G

A

C

C

I

I

D

G

W

W

E

E

M

D

S

T

V

D

A

A

V

L

L

L

E

R

D

Q

L

L

A

A

K

N

S

A

A

V

R

K

E

A

R

R

R

R

binding (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid: E137 (= E143), G157 (= G163), A158 (= A164), K180 (= K186), R228 (= R234), H262 (= H268)

1gg1A Crystal structure analysis of dahp synthase in complex with mn2+ and 2-phosphoglycolate (see paper)
60% identity, 97% coverage: 7:349/353 of query aligns to 1:339/339 of 1gg1A

query
sites
1gg1A

D

D

L

L

R

R

I

I

V

K

E

E

I

I

T

K

P

E

L

L

T

L

K

P

P

P

A

V

D

A

I

L

I

L

A

E

E

K

I

F

P

P

R

A

N

T

A

E

D

N

V

A

S

A

K

N

T

T

V

V

T

A

S

H

N

A

R

R

D

K

A

A

I

I

H

H

Q

K

I

I

L

L

R

K

G

G

E

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

P

P

V

V

A

A

A

A

R

K

D

E

Y

Y

A

A

A

T

R

R

L

L

T

L

E

A

Q

L

R

R

Q

E

R

E

F

L

A

K

G

D

D

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

M

I

N

N

D

D

P

P

H

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

E

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

R

K

L

L

L

L

L

L

D

D

I

I

N

N

A

D

M

S

G

G

L

L

P

P

A

A

G

A

V

G

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

T

V

I

R

K

V

V

A

A

L

I

D

D

A

A

I

I

L

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

P

L

A

S

V

V

T

T

K

K

D

W

G

G

Q

H

A

S

A

A

I

I

A

V

S

N

T

T

T

S

G

G

N

N

E

G

D

D

C

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

S

A

A

A

K

D

H

V

V

E

A

A

E

V

V

T

K

G

E

E

G

A

L

V

N

K

K

L

A

G

G

V

L

A

P

P

A

R

Q

I

V

L

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

D

Q

P

F

M

K

N

K

Q

Q

P

M

L

D

V

V

V

C

K

A

S

D

V

V

A

C

A

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

S

K

D

A

I

I

K

I

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

N

Q

Q

D

S

L

L

V

-

P

-

G

-

K

-

P

P

L

L

V

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

E

M

D

S

T

V

D

A

A

V

L

L

L

E

R

D

Q

L

L

A

A

K

N

S

A

A

V

R

K

E

A

R

R

R

R

binding manganese (ii) ion: C55 (= C61), H262 (= H268), E296 (= E302), D316 (= D326)
binding 2-phosphoglycolic acid: R86 (= R92), K91 (= K97), G157 (= G163), K180 (= K186), R228 (= R234), H262 (= H268)

1qr7A Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from escherichia coli complexed with pb2+ and pep (see paper)
60% identity, 97% coverage: 8:349/353 of query aligns to 1:337/338 of 1qr7A

query
sites
1qr7A

L

L

R

R

I

I

V

K

E

E

I

I

T

K

P

E

L

L

T

L

K

P

P

P

A

V

D

A

I

L

I

L

A

E

E

K

I

F

P

P

R

A

N

T

A

E

D

N

V

A

S

A

K

N

T

T

V

V

T

A

S

H

N

A

R

R

D

K

A

A

I

I

H

H

Q

K

I

I

L

L

R

K

G

G

E

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

P

P

V

V

A

A

A

A

R

K

D

E

Y

Y

A

A

A

T

R

R

L

L

T

L

E

A

Q

L

R

R

Q

E

R

E

F

L

A

K

G

D

D

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

M

I

N

N

D

D

P

P

H

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

E

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

R

K

L

L

L

L

L

L

D

D

I

I

N

N

A

D

M

S

G

G

L

L

P

P

A

A

G

A

V

G

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

T

V

I

R

K

V

V

A

A

L

I

D

D

A

A

I

I

L

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

P

L

A

S

V

V

T

T

K

K

D

W

G

G

Q

H

A

S

A

A

I

I

A

V

S

N

T

T

T

S

G

G

N

N

E

G

D

D

C

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

S

A

A

A

K

D

H

V

V

E

A

A

E

V

V

T

K

G

E

E

G

A

L

V

N

K

K

L

A

G

G

V

L

A

P

P

A

R

Q

I

V

L

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

D

Q

P

F

M

K

N

K

Q

Q

P

M

L

D

V

V

V

C

K

A

S

D

V

V

A

C

A

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

S

K

D

A

I

I

K

I

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

N

Q

Q

D

S

L

L

V

-

P

-

G

-

K

-

P

-

L

L

V

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

E

M

D

S

T

V

D

A

A

V

L

L

L

E

R

D

Q

L

L

A

A

K

N

S

A

A

V

R

K

E

A

R

R

R

R

binding lead (ii) ion: C54 (= C61), H261 (= H268), E295 (= E302), D314 (= D326)
binding phosphoenolpyruvate: R85 (= R92), Y87 (= Y94), R158 (= R165), K179 (= K186), R227 (= R234), H261 (= H268)

7rueA Dahp synthase complexed with trifluoropyruvate semicarbazone (see paper)
60% identity, 97% coverage: 6:349/353 of query aligns to 2:339/339 of 7rueA

query
sites
7rueA

D

D

D

D

L

L

R

R

I

I

V

K

E

E

I

I

T

K

P

E

L

L

T

L

K

P

P

P

A

V

D

A

I

L

I

L

A

E

E

K

I

F

P

P

R

A

N

T

A

E

D

N

V

A

S

A

K

N

T

T

V

V

T

A

S

H

N

A

R

R

D

K

A

A

I

I

H

H

Q

K

I

I

L

L

R

K

G

G

E

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

P

P

V

V

A

A

A

A

R

K

D

E

Y

Y

A

A

A

T

R

R

L

L

T

L

E

A

Q

L

R

R

Q

E

R

E

F

L

A

K

G

D

D

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

M

I

N

N

D

D

P

P

H

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

E

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

R

K

L

L

L

L

L

L

D

D

I

I

N

N

A

D

M

S

G

G

L

L

P

P

A

A

G

A

V

G

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

T

V

I

R

K

V

V

A

A

L

I

D

D

A

A

I

I

L

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

P

L

A

S

V

V

T

T

K

K

D

W

G

G

Q

H

A

S

A

A

I

I

A

V

S

N

T

T

T

S

G

G

N

N

E

G

D

D

C

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

S

A

A

A

K

D

H

V

V

E

A

A

E

V

V

T

K

G

E

E

G

A

L

V

N

K

K

L

A

G

G

V

L

A

P

P

A

R

Q

I

V

L

M

I

I

D

D

A

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

Q

D

F

P

K

M

-

N

K

Q

Q

P

M

L

D

V

V

V

C

K

A

S

D

V

V

A

C

A

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

S

K

D

A

I

I

K

I

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

N

Q

Q

D

S

L

L

V

-

P

-

G

-

K

-

P

-

L

L

V

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

E

M

D

S

T

V

D

A

A

V

L

L

L

E

R

D

Q

L

L

A

A

K

N

S

A

A

V

R

K

E

A

R

R

R

R

binding (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid: R88 (= R92), Y90 (= Y94), G159 (= G163), A160 (= A164), K182 (= K186), R230 (= R234), H264 (= H268)
binding manganese (ii) ion: C57 (= C61), H264 (= H268), E297 (= E302), D316 (= D326)

5cksA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
60% identity, 97% coverage: 6:349/353 of query aligns to 2:338/339 of 5cksA

query
sites
5cksA

D

D

D

D

L

L

R

R

I

I

V

K

E

E

I

I

T

K

P

E

L

L

T

L

K

P

P

P

A

V

D

A

I

L

I

L

A

E

E

K

I

F

P

P

R

A

N

T

A

E

D

N

V

A

S

A

K

N

T

T

V

V

T

A

S

H

N

A

R

R

D

K

A

A

I

I

H

H

Q

K

I

I

L

L

R

K

G

G

E

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

P

P

V

V

A

A

A

A

R

K

D

E

Y

Y

A

A

A

T

R

R

L

L

T

L

E

A

Q

L

R

R

Q

E

R

E

F

L

A

K

G

D

D

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

M

I

N
|
N

D

D

P

P

H

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

E

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

R

K

L

L

L

L

L

L

D

D

I

I

N

N

A

D

M

S

G

G

L

L

P

P

A

A

G

A

V

G

E

E

F

F

L

L

D
|
D

T

M

I

I

T
|
T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

G

T

V

I

R

K

V

V

A

A

L

I

D

D

A

A

I

I

L

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

P

L

A

S

V

V

T

T

K

K

D

W

G

G

Q

H

A

S

A

A

I

I

A

V

S

N

T

T

T

S

G

G

N

N

E

G

D

D

C

C

H

H

I

I

I

I

L

L

R

R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

S

A

A

A

K

D

H

V

V

E

A

A

E

V

V

T

K

G

E

E

G

A

L

V

N

K

K

L

A

G

G

V

L

A

P

P

A

R

Q

I

V

L

M

I

I

D

D

A

F

S

S

H

H

A

A

N

N

S

S

G

S

K

K

D

Q

P

F

M

K

N

K

Q

Q

P

M

L

D

V

V

V

C

K

A

S

D

V

V

A

C

A

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

S

K

D

A

I

I

K

I

G

G

M

V

M

M

I

V

E

E

S

S

N

H

L

L

V

V

A

E

G

G

R

N

Q

Q

D

S

L

L

V

-

P

-

G

-

K

-

P

-

L

L

V

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

G

A

C

C

I

I

D

G

W

W

E

E

M

D

S

T

V

D

A

A

V

L

L

L

E

R

D

Q

L

L

A

A

K

N

S

A

A

V

R

K

E

A

R

R

R

R

binding beta-D-galactopyranose: E92 (= E96), N103 (= N109), D140 (= D146), T143 (= T149)

8e0sA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
59% identity, 97% coverage: 7:349/353 of query aligns to 1:335/336 of 8e0sA

query
sites
8e0sA

D

D

L

L

R

R

I

I

V

K

E

E

I

I

T

K

P

E

L

L

T

L

K

P

P

P

A

V

D

A

I

L

I

L

A

E

E

K

I

F

P

P

R

A

N

T

A

E

D

N

V

A

S

A

K

N

T

T

V

V

T

A

S

H

N

A

R

R

D

K

A

A

I

I

H

H

Q

K

I

I

L

L

R

K

G

G

E

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

P

P

V

V

A

A

A

A

R

K

D

E

Y

Y

A

A

A

T

R

R

L

L

T

L

E

A

Q

L

R

R

Q

E

R

E

F

L

A

K

G

D

D

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

M

I

N

N

D

D

P

P

H

H

L

M

D

D

G

N

S

S

Y

F

R

Q

I

I

E

N

E

D

G

G

L

L

R

R

I

I

A

A

R

R

R

K

L

L

L

L

L

L

D

D

I

I

N

N

A

D

M

S

G

G

L

L

P

P

A

A

G

A

V

G

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

G

T

V

I

R

K

V

V

A

A

L

I

D

D

A

A

I

I

L

N

A

A

A

A

S

G

Q

A

P

P

H

H

H

C

F

F

P

L

A

S

V

V

T

T

K

K

D

W

G

G

Q

H

A

S

A

A

I

I

A

V

S

N

T

T

T
x
S

G
|
G

N

N

E
x
G

D

D

C

C

H

H

I

I

I

I

L

L

R

R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

S

A

A

A

K

D

H

V

V

E

A

A

E

V

V

T

K

G

E

E

G

A

L

V

N

K

K

L

A

G

G

V

L

A

P

P

A

R

Q

I

V

L

M

I

I

D

D

A

F

S

S

H

H

A

A

N

N

S

S

G

S

K

K

D

Q

P

F

M

K

N

K

Q

Q

P

M

L

D

V

V

V

C

K

A

S

D

V

V

A

C

A

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

S

K

D

A

I

I

K

I

G

G

M

V

M

M

I

V

E

E

S

S

N

H

L

L

V

V

A

E

G

G

R

N

Q

Q

D

S

L

L

V

-

P

-

G

-

K

-

P

-

L

L

V

A

Y

Y

G

G

Q

K

S

S

I

I

T

T

D

D

G

A

C

C

I

I

D

G

W

W

E

E

M

D

S

T

V

D

A

A

V

L

L

L

E

R

D

Q

L

L

A

A

K

N

S

A

A

V

R

K

E

A

R

R

R

R

binding alpha-D-glucopyranose: S215 (≠ T224), G216 (= G225), G218 (≠ E227)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
56% identity, 97% coverage: 6:348/353 of query aligns to 5:343/346 of 5dcdA

query
sites
5dcdA

D

D

D

D

L

I

R

K

I

I

V

K

E

E

I

V

T

K

P

E

L

L

T

L

K

P

P

P

A

I

D

A

I

H

I

L

A

Y

E

E

I

L

P

P

R

I

N

S

A

K

D

E

V

A

S

S

K

G

T

L

V

V

T

H

S

R

N

T

R

R

D

Q

A

E

I

I

H

S

Q

D

I

L

L

V

R

H

G

G

E

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

P

P

V

K

A

A

A

A

R

L

D

E

Y

Y

A

A

A

E

R

R

L

L

T

L

E

K

Q

L

R

R

Q

K

R

Q

F

Y

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

E

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

R

S

L

L

L

L

L

L

D

S

I

L

N

N

A

N

M

M

G

G

L

M

P

P

A

A

G

S

V

T

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q
|
Q

Y

Y

I

Y

A
|
A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

N

V

L

R

K

V

I

A

A

L

I

D

D

A

A

I

I

L

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

P

L

A
x
S

V

V

T

T

K

K

D

A

G

G

Q

H

A

S

A

A

I

I

A
x
V

S

H

T

T

T

G

G

G

N

N

E

P

D

D

C

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

D

A

A

A

E

D

H

V

V

E

S

A

E

V

A

T

A

G

E

E

Q

A

L

V

R

K

A

L

A

G

G

V

V

A

T

P

D

R

K

I

L

L

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

D

D

P

Y

M

T

N

R

Q

Q

P

M

L

E

V

V

V

A

K

Q

S

D

V

I

A

A

A

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

S

G

D

N

I

I

K

M

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

R

Q

Q

D

D

L

-

V

-

P

-

G

-

K

K

P

P

L

E

V

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

G

M

A

S

T

V

E

A

E

V

L

L

L

E

A

D

L

L

L

A

A

K

G

S

A

A

N

R

K

E

K

R

R

binding manganese (ii) ion: C60 (= C61), H267 (= H268), E301 (= E302), D321 (= D326)
binding trimethylamine oxide: A163 (= A164), K185 (= K186), R233 (= R234), H267 (= H268)
binding tyrosine: Q150 (= Q151), A153 (= A154), L178 (= L179), S179 (= S180), S210 (≠ A211), V220 (≠ A221)

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
56% identity, 97% coverage: 6:348/353 of query aligns to 7:345/348 of 5dcbC

query
sites
5dcbC

D

D

D

D

L

I

R

K

I

I

V

K

E

E

I

V

T

K

P

E

L

L

T

L

K

P

P

P

A

I

D

A

I

H

I

L

A

Y

E

E

I

L

P

P

R

I

N

S

A

K

D

E

V

A

S

S

K

G

T

L

V

V

T

H

S

R

N

T

R

R

D

Q

A

E

I

I

H

S

Q

D

I

L

L

V

R

H

G

G

E

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

P

P

V

K

A

A

A

A

R

L

D

E

Y

Y

A

A

A

E

R

R

L

L

T

L

E

K

Q

L

R

R

Q

K

R

Q

F

Y

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

E

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

R

S

L

L

L

L

L

L

D

S

I

L

N

N

A

N

M

M

G

G

L

M

P

P

A

A

G

S

V

T

E
|
E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q
|
Q

Y

Y

I

Y

A
|
A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

N

V

L

R

K

V

I

A

A

L

I

D

D

A

A

I

I

L

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F
|
F

P

L

A
x
S

V

V

T

T

K

K

D

A

G

G

Q

H

A

S

A

A

I

I

A
x
V

S

H

T

T

T

G

G

G

N

N

E

P

D

D

C

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

D

A

A

A

E

D

H

V

V

E

S

A

E

V

A

T

A

G

E

E

Q

A

L

V

R

K

A

L

A

G

G

V

V

A

T

P

D

R

K

I

L

L

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

D

D

P

Y

M

T

N

R

Q

Q

P

M

L

E

V

V

V

A

K

Q

S

D

V

I

A

A

A

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

S

G

D

N

I

I

K

M

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

R

Q

Q

D

D

L

-

V

-

P

-

G

-

K

K

P

P

L

E

V

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

G

M

A

S

T

V

E

A

E

V

L

L

L

E

A

D

L

L

L

A

A

K

G

S

A

A

N

R

K

E

K

R

R

binding manganese (ii) ion: C62 (= C61), K98 (= K97), H269 (= H268), E303 (= E302), D323 (= D326)
binding phosphoenolpyruvate: R93 (= R92), Y95 (= Y94), E144 (= E143), K187 (= K186), R235 (= R234), H269 (= H268)
binding phenylalanine: Q152 (= Q151), A155 (= A154), L180 (= L179), S181 (= S180), F210 (= F209), S212 (≠ A211), V222 (≠ A221)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
56% identity, 97% coverage: 6:348/353 of query aligns to 3:341/344 of 5dceA

query
sites
5dceA

D

D

D

D

L

I

R

K

I

I

V

K

E

E

I

V

T

K

P

E

L

L

T

L

K

P

P

P

A

I

D

A

I

H

I

L

A

Y

E

E

I

L

P

P

R

I

N

S

A

K

D

E

V

A

S

S

K

G

T

L

V

V

T

H

S

R

N

T

R

R

D

Q

A

E

I

I

H

S

Q

D

I

L

L

V

R

H

G

G

E

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

P

P

V

K

A

A

A

A

R

L

D

E

Y

Y

A

A

A

E

R

R

L

L

T

L

E

K

Q

L

R

R

Q

K

R

Q

F

Y

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

E

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

R

S

L

L

L

L

L

L

D

S

I

L

N

N

A

N

M

M

G

G

L

M

P

P

A

A

G

S

V

T

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q
|
Q

Y

Y

I

Y

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

G

N

V

L

R

K

V

I

A

A

L

I

D

D

A

A

I

I

L

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

P

L

A
x
S

V
|
V

T

T

K

K

D

A

G

G

Q

H

A

S

A

A

I

I

A
x
V

S

H

T

T

T

G

G

G

N

N

E

P

D

D

C

C

H

H

I

V

I

I

L

L

R

R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

D

A

A

A

E

D

H

V

V

E

S

A

E

V

A

T

A

G

E

E

Q

A

L

V

R

K

A

L

A

G

G

V

V

A

T

P

D

R

K

I

L

L

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

D

D

P

Y

M

T

N

R

Q

Q

P

M

L

E

V

V

V

A

K

Q

S

D

V

I

A

A

A

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

S

G

D

N

I

I

K

M

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

R

Q

Q

D

D

L

-

V

-

P

-

G

-

K

K

P

P

L

E

V

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

G

M

A

S

T

V

E

A

E

V

L

L

L

E

A

D

L

L

L

A

A

K

G

S

A

A

N

R

K

E

K

R

R

binding manganese (ii) ion: C58 (= C61), H265 (= H268), E299 (= E302), D319 (= D326)
binding tryptophan: Q148 (= Q151), L176 (= L179), S177 (= S180), S208 (≠ A211), V209 (= V212), V218 (≠ A221)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
56% identity, 99% coverage: 6:353/353 of query aligns to 3:345/345 of 4hsoA

query
sites
4hsoA

D

D

D

D

L

I

R

K

I

I

V

K

E

E

I

V

T

K

P

E

L

L

T

L

K

P

P

P

A

I

D

A

I

H

I

L

A

Y

E

E

I

L

P

P

R

I

N

S

A

K

D

E

V

A

S

S

K

G

T

L

V

V

T

H

S

R

N

T

R

R

D

Q

A

E

I

I

H

S

Q

D

I

L

L

V

R

H

G

G

E

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

P

P

V

K

A

A

A

A

R

L

D

E

Y

Y

A

A

A

E

R

R

L

L

T

L

E

K

Q

L

R

R

Q

K

R

Q

F

Y

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

E

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

R

S

L

L

L

L

L

L

D

S

I

L

N

N

A

N

M

M

G

G

L

M

P

P

A

A

G

S

V

T

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q
|
Q

Y

Y

I

Y

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L
|
L

A

A

S

S

G

G

L
|
L

S
|
S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

N

V

L

R

K

V

I

A

A

L

I

D

D

A

A

I

I

L

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

P

L

A

G

V

V

T

T

K

K

D

A

G

G

Q

H

A

S

A

A

I

I

A

V

S

H

T

T

T

G

G

G

N

N

E

P

D

D

C

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

D

A

A

A

E

D

H

V

V

E

S

A

E

V

A

T

A

G

E

E

Q

A

L

V

R

K

A

L

A

G

G

V

V

A

T

P

D

R

K

I

L

L

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

D

D

P

Y

M

T

N

R

Q

Q

P

M

L

E

V

V

V

A

K

Q

S

D

V

I

A

A

A

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

S

G

D

N

I

I

K

M

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

R

Q

Q

D

D

L

-

V

-

P

-

G

-

K

K

P

P

L

E

V

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

G

M

A

S

T

V

E

A

E

V

L

L

L

E

A

D

L

L

L

A

A

K

-

S

G

A

A

R

N

E

K

R

K

R

R

R

M

T

A

R

R

A

A

binding manganese (ii) ion: C58 (= C61), H265 (= H268), E299 (= E302), D319 (= D326)
binding phosphoenolpyruvate: R89 (= R92), A161 (= A164), R162 (= R165), K183 (= K186), R231 (= R234), H265 (= H268)
binding tyrosine: Q148 (= Q151), L172 (= L175), L176 (= L179), S177 (= S180)

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)
57% identity, 96% coverage: 16:353/353 of query aligns to 3:335/335 of 4umbA

query
sites
4umbA

L

L

T

L

K

P

P

P

A

I

D

A

I

H

I

L

A

Y

E

E

I

L

P

P

R

I

N

S

A

K

D

E

V

A

S

S

K

G

T

L

V

V

T

H

S

R

N

T

R

R

D

Q

A

E

I

I

H

S

Q

D

I

L

L

V

R

H

G

G

E

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

P

P

V

K

A

A

A

A

R

L

D

E

Y

Y

A

A

A

E

R

R

L

L

T

L

E

K

Q

L

R

R

Q

K

R

Q

F

Y

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

E

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

R

S

L

L

L

L

L

L

D

S

I

L

N

N

A

N

M

M

G

G

L

M

P

P

A

A

G

S

V

T

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

N

V

L

R

K

V

I

A

A

L

I

D

D

A

A

I

I

L

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

P

L

A

S

V

V

T

T

K

K

D

A

G

G

Q

H

A

S

A

A

I

I

A

V

S

H

T

T

T

G

G

G

N

N

E

P

D

D

C

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

D

A

A

A

E

D

H

V

V

E

S

A

E

V

A

T

A

G

E

E

Q

A

L

V

R

K

A

L

A

G

G

V

V

A

T

P

D

R

K

I

L

L

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

D

D

P

Y

M

T

N

R

Q

Q

P

M

L

E

V

V

V

A

K

Q

S

D

V

I

A

A

A

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

S

G

D

N

I

I

K

M

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

R

Q

Q

D

D

L

-

V

-

P

-

G

-

K

K

P

P

L

E

V

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

G

M

A

S

T

V

E

A

E

V

L

L

L

E

A

D

L

L

L

A

A

K

-

S

G

A

A

R

N

E

K

R

K

R

R

R

M

T

A

R

R

A

A

binding (2R)-2-(phosphonooxy)propanoic acid: R79 (= R92), K84 (= K97), A151 (= A164), R152 (= R165), K173 (= K186), R221 (= R234), H255 (= H268)
binding manganese (ii) ion: C48 (= C61), H255 (= H268), E289 (= E302), D309 (= D326)

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)
56% identity, 94% coverage: 16:348/353 of query aligns to 2:330/333 of 4umaA

query
sites
4umaA

L

L

T

L

K

P

P

P

A

I

D

A

I

H

I

L

A

Y

E

E

I

L

P

P

R

I

N

S

A

K

D

E

V

A

S

S

K

G

T

L

V

V

T

H

S

R

N

T

R

R

D

Q

A

E

I

I

H

S

Q

D

I

L

L

V

R

H

G

G

E

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

P

P

V

K

A

A

A

A

R

L

D

E

Y

Y

A

A

A

E

R

R

L

L

T

L

E

K

Q

L

R

R

Q

K

R

Q

F

Y

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

E

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

R

S

L

L

L

L

L

L

D

S

I

L

N

N

A

N

M

M

G

G

L

M

P

P

A

A

G

S

V

T

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

N

V

L

R

K

V

I

A

A

L

I

D

D

A

A

I

I

L

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

P

L

A

S

V

V

T

T

K

K

D

A

G

G

Q

H

A

S

A

A

I

I

A

V

S

H

T

T

T

G

G

G

N

N

E

P

D

D

C

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

D

A

A

A

E

D

H

V

V

E

S

A

E

V

A

T

A

G

E

E

Q

A

L

V

R

K

A

L

A

G

G

V

V

A

T

P

D

R

K

I

L

L

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

D

D

P

Y

M

T

N

R

Q

Q

P

M

L

E

V

V

V

A

K

Q

S

D

V

I

A

A

A

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

S

G

D

N

I

I

K

M

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

R

Q

Q

D

D

L

-

V

-

P

-

G

-

K

K

P

P

L

E

V

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

G

M

A

S

T

V

E

A

E

V

L

L

L

E

A

D

L

L

L

A

A

K

G

S

A

A

N

R

K

E

K

R

R

binding (e)-2-methyl-3-phosphonoacrylate: R78 (= R92), K83 (= K97), G149 (= G163), A150 (= A164), R151 (= R165), K172 (= K186), R220 (= R234), H254 (= H268)
binding manganese (ii) ion: C47 (= C61), H254 (= H268), E288 (= E302), D308 (= D326)

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)
56% identity, 94% coverage: 16:348/353 of query aligns to 3:331/334 of 4umcA

query
sites
4umcA

L

L

T

L

K

P

P

P

A

I

D

A

I

H

I

L

A

Y

E

E

I

L

P

P

R

I

N

S

A

K

D

E

V

A

S

S

K

G

T

L

V

V

T

H

S

R

N

T

R

R

D

Q

A

E

I

I

H

S

Q

D

I

L

L

V

R

H

G

G

E

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

P

P

V

K

A

A

A

A

R

L

D

E

Y

Y

A

A

A

E

R

R

L

L

T

L

E

K

Q

L

R

R

Q

K

R

Q

F

Y

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

H

L

L

D

D

G

G

S

T

Y

F

R

D

I

I

E

N

E

F

G

G

L

L

R

R

I

Q

A

A

R

R

R

S

L

L

L

L

L

L

D

S

I

L

N

N

A

N

M

M

G

G

L

M

P

P

A

A

G

S

V

T

E

E

F

F

L

L

D

D

T

M

I

I

T

T

P

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

N

V

L

R

K

V

I

A

A

L

I

D

D

A

A

I

I

L

G

A

A

A

A

S

S

Q

H

P

S

H

H

H

H

F

F

P

L

A

S

V

V

T

T

K

K

D

A

G

G

Q

H

A

S

A

A

I

I

A

V

S

H

T

T

T

G

G

G

N

N

E

P

D

D

C

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

R

E

P

P

S

N

Y

Y

E

D

A

A

A

E

D

H

V

V

E

S

A

E

V

A

T

A

G

E

E

Q

A

L

V

R

K

A

L

A

G

G

V

V

A

T

P

D

R

K

I

L

L

M

I

I

D

D

A

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

D

D

P

Y

M

T

N

R

Q

Q

P

M

L

E

V

V

V

A

K

Q

S

D

V

I

A

A

A

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

S

G

D

N

I

I

K

M

G

G

M

V

M

M

I

V

E
|
E

S

S

N

H

L

L

V

V

A

E

G

G

R

R

Q

Q

D

D

L

-

V

-

P

-

G

-

K

K

P

P

L

E

V

V

Y

Y

G

G

Q

K

S

S

I

I

T

T

D
|
D

G

A

C

C

I

I

D

G

W

W

E

G

M

A

S

T

V

E

A

E

V

L

L

L

E

A

D

L

L

L

A

A

K

G

S

A

A

N

R

K

E

K

R

R

binding manganese (ii) ion: C48 (= C61), H255 (= H268), E289 (= E302), D309 (= D326)
binding l-phospholactate: R79 (= R92), K84 (= K97), G150 (= G163), R152 (= R165), K173 (= K186), R221 (= R234), H255 (= H268)

3tqkA Structure of phospho-2-dehydro-3-deoxyheptonate aldolase from francisella tularensis schu s4 (see paper)
54% identity, 94% coverage: 19:349/353 of query aligns to 10:340/341 of 3tqkA

query
sites
3tqkA

P

P

A

A

D

E

I

V

-

L

I

I

A

Q

E

D

I

I

P

P

R

L

N

L

A

K

D

T

V

S

S

F

K

E

T

T

V

V

T

R

S

K

N

S

R

R

D

K

A

E

I

I

H

A

Q

N

I

I

L

I

R

H

G

G

E

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

P

P

V

A

A

A

A

A

R

I

D

E

Y

Y

A

A

A

T

R

K

L

L

T

K

E

E

Q

Q

R

V

Q

K

R

K

F

F

A

H

G

K

D

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

M

I

N

N

D

D

P

P

H

D

L

L

D

D

G

N

S

S

Y

Y

R

N

I

I

E

N

E

K

G

G

L

L

R

R

I

L

A

A

R

R

R

N

L

L

L

L

L

S

D

D

I

L

N

T

A

N

M

M

G

G

L

L

P

P

A

C

G

A

V

T

E

E

F

F

L

L

D

D

T

V

I

I

T

T

P

P

Q

Q

Y

Y

I

F

A

A

D

E

L

L

V

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

I

V

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

A

P

S

I

I

G

G

F

F

K

K

N

N

G

A

T

T

D

N

G

G

G

D

V

V

R

Q

V

V

A

A

L

V

D

D

A

A

I

V

L

K

A

S

A

A

S

T

Q

Y

P

P

H

H

H

H

F

F

P

L

A

S

V

T

T

T

K

K

D

S

G

G

Q

S

A

T

A

A

I

I

A

F

S

A

T

T

T

K

G

G

N

N

E

Q

D

N

C

G

H

H

I

V

I

I

L

L

R

R

G

G

G

G

K

A

R

S

-

G

P

P

S

N

Y

F

E

S

A

K

A

E

D

H

V

V

E

D

A

D

V

C

T

I

G

A

E

K

A

L

V

K

K

K

L

A

G

D

V

I

A

N

P

T

R

K

I

V

L

M

I

I

D

D

A

C

S

S

H
|
H

A

G

N

N

S

S

G

Q

K

K

D

D

P

H

M

S

N

K

Q

Q

P

I

L

S

V

V

V

L

K

A

S

D

V

I

A

C

A

E

Q

Q

I

I

A

K

A

H

G

S

N

N

S

-

D

D

I

I

K

F

G

G

M

V

M

M

I

I

E
|
E

S

S

N

N

L

L

V

V

A

A

G

G

R

N

Q

Q

D

D

L

-

V

I

P

N

G

K

K

K

P

P

L

L

V

T

Y

Y

G

G

Q

Q

S

S

I

V

T

T

D
|
D

G

K

C

C

I

V

D

D

W

F

E

E

M

E

S

T

V

V

A

K

V

M

L

L

E

E

D

M

L

L

A

A

K

E

S

A

A

V

R

Q

E

V

R

R

R

R

binding manganese (ii) ion: C53 (= C61), H261 (= H268), E294 (= E302), D317 (= D326)

7reuB Crystal structure of aro4p, 3-deoxy-d-arabino-heptulosonate-7- phosphate (dahp) synthase from candida auris, l-tyr complex
51% identity, 98% coverage: 6:350/353 of query aligns to 4:355/358 of 7reuB

query
sites
7reuB

D
|
D

D
|
D

L

T

R

R

I

I

V

M

E

G

I

Y

T

D

P

P

L

L

T

I

K

P

P

P

A

A

D

L

I

L

I

Q

A

N

E

E

I

I

P

K

R

A

N

S

A

K

D

K

V

S

S

L

K

E

T

T

V

V

T

I

S

K

N

G

R

R

D

V

A

D

I

A

H

S

Q

R

I

I

L

I

R

G

G

G

E

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

P

P

V

E

A

A

A

A

R

L

D

E

Y

Y

A

A

A

N

R

R

L

L

T

K

E

K

Q

I

R

S

Q

E

R

E

F

L

A

E

G

N

D

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

M

I

N

N

D

D

P

P

H

N

L

V

D

D

G

N

S

S

Y

F

R

D

I

I

E

N

E

K

G

G

L

L

R

R

I

V

A

S

R

R

R

K

L

L

L

Y

L

A

D

D

I

L

N

T

-

G

A

A

M

V

G

G

L

I

P

P

A

I

G

G

V

S

E

E

F

M

L

L

D

D

T
|
T

I

I

T

S

P

P

Q
|
Q

Y

Y

I

F

A
x
S

D

D

L

L

V

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

I

L

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

C

F

P

P

I

I

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

G

N

V

V

R

G

V

V

A

A

L

L

D

D

A

A

I

V

L

Q

A

A

A

S

S

S

Q

K

P

G

H

H

H

H

F

F

P

M

A

G

V

V

T

T

K

K

D

N

G

G

Q

L

A

A

A

A

I

I

A

T

S

T

T

T

T

K

G

G

N

N

E

D

D

H

C

C

H

F

I

I

I

I

L

L

R

R

G

G

G

G

K

K

R

N

-

L

P

T

S

N

Y

Y

E

D

A

L

A

Q

D

S

V

V

E

Q

A

S

V

A

T

K

G

-

E

S

A

A

V

I

K

A

L

K

G

S

V

S

A

N

P

P

-

N

-

I

R

K

I

I

L

M

I

I

D

D

A

C

S

S

H

H

A

D

N

N

S

S

G

K

K

K

D

D

P

Y

M

R

N

N

Q

Q

P

P

L

A

V

V

V

L

K

E

S

D

V

V

A

S

A

R

Q

Q

I

I

A

E

A

A

G

G

N

E

S

N

D

A

I

L

K

M

G

G

M

V

M

M

I

I

E

E

S

S

N

N

L

I

V

N

A

E

G

G

R

K

Q

Q

D

S

L

M

V

P

P

S

G

G

K

N

P

E

-

G

-

K

-

S

-

A

L

L

V

K

Y

Y

G

G

Q

V

S

S

I

I

T

T

D

D

G

S

C

C

I

V

D

S

W

W

E

D

M

T

S

T

V

V

A

K

V

M

L

L

E

N

D

N

L

L

A

A

K

R

S

A

A

V

R

Q

E

K

R

R

R

R

R

Q

binding tyrosine: D4 (= D6), D5 (= D7), T146 (= T147), Q150 (= Q151), S153 (≠ A154), L178 (= L179), S179 (= S180)

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)
52% identity, 97% coverage: 7:349/353 of query aligns to 1:340/344 of 1ofoA

query
sites
1ofoA

D

D

L

V

R

R

I

I

V

L

E

G

I

Y

T

D

P

P

L

L

T

A

K

S

P

P

A

A

D

L

I

L

I

Q

A

V

E

Q

I

I

P

P

R

A

N

T

A

P

D

T

V

S

S

L

K

E

T

T

V

A

T

K

S

R

N

G

R

R

D

R

A

E

I

A

H

I

Q

D

I

I

L

I

R

T

G

G

E

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

P

L

V

E

A

A

A

A

R

Q

D

E

Y

Y

A

A

A

L

R

R

L

L

T

K

E

K

Q

L

R

S

Q

D

R

E

F

L

A

K

G

G

D

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

M

I

N

N

D

D

P

P

H

D

L

V

D

N

G

N

S

T

Y

F

R

N

I

I

E

N

E

K

G

G

L

L

R

Q

I

S

A

A

R

R

R

Q

L

L

L

F

L

V

D

N

I

L

N

T

A

N

M

I

G

G

L

L

P

P

A

I

G

G

V

S

E

E

F

M

L

L

D

D

T

T

I

I

T

S

P

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

V

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

I

L

H

H

R

R

Q

E

L

L

A

A

S

S

G

G

L

L

S

S

C

F

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

G

T

V

L

R

N

V

V

A

A

L

V

D

D

A

A

I

C

L

Q

A

A

A

A

S

A

Q

H

P

S

H

H

H

H

F

F

P

M

A

G

V

V

T

T

K

K

D

H

G

G

Q

V

A

A

A

A

I

I

A

T

S

T

T

T

T

K

G

G

N

N

E

E

D

H

C

C

H

F

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

R

K

P

G

S

T

Y

-

E

-

A

N

A

Y

D

D

V

A

E

K

A

S

V

V

T

A

G

E

E

A

A

K

V

A

K

Q

L

L

G

P

V

A

A

G

P

S

R

N

-

G

I

L

L

M

I

I

D

D

A

Y

S

S

H
|
H

A

G

N

N

S

S

G

N

K

K

D

D

P

F

M

R

N

N

Q

Q

P

P

L

K

V

V

V

N

K

D

S

V

V

V

A

C

A

E

Q

Q

I

I

A

A

A

N

G

G

N

E

S

N

D

A

I

I

K

T

G

G

M

V

M

M

I

I

E

E

S

S

N

N

L

I

V

N

A

E

G

G

R

N

Q

Q

D

G

L

I

V

P

P

A

G

G

K

-

P

-

L

L

V

K

Y

Y

G

G

Q

V

S

S

I

I

T

T

D

D

G

A

C

C

I

I

D

G

W

W

E

E

M

T

S

T

V

E

A

D

V

V

L

L

E

R

D

K

L

L

A

A

K

A

S

A

A

V

R

R

E

Q

R

R

R

R

binding 2-phosphoglycolic acid: R86 (= R92), G157 (= G163), K180 (= K186), R228 (= R234), H261 (= H268)

Query Sequence

>WP_011652224.1 NCBI__GCF_000009265.1:WP_011652224.1
MSDTIDDLRIVEITPLTKPADIIAEIPRNADVSKTVTSNRDAIHQILRGEDDRLIVVIGP
CSIHDPVAARDYAARLTEQRQRFAGDLEIVMRVYFEKPRTTVGWKGLMNDPHLDGSYRIE
EGLRIARRLLLDINAMGLPAGVEFLDTITPQYIADLVSWGAIGARTTESQIHRQLASGLS
CPIGFKNGTDGGVRVALDAILAASQPHHFPAVTKDGQAAIASTTGNEDCHIILRGGKRPS
YEAADVEAVTGEAVKLGVAPRILIDASHANSGKDPMNQPLVVKSVAAQIAAGNSDIKGMM
IESNLVAGRQDLVPGKPLVYGQSITDGCIDWEMSVAVLEDLAKSARERRRTRA

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