SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 5209069 FitnessBrowser__PV4:5209069 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)
56% identity, 99% coverage: 1:348/353 of query aligns to 1:348/350 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 (= S211), V221 (≠ Y221)

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)
56% identity, 99% coverage: 1:348/353 of query aligns to 1:348/350 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)
57% identity, 97% coverage: 6:348/353 of query aligns to 1:343/345 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 (≠ I70), D127 (≠ E132), Q165 (= Q170), E169 (= E174), F204 (= F209), L205 (≠ Y210)

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
56% identity, 97% coverage: 7:348/353 of query aligns to 1:342/343 of 8e0sD

query
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8e0sD

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K

N

N

G

G

T

T

D

D

G

G

N

T

I

I

N

K

I

V

A

A

I

I

D

D

A

A

V

I

R

N

A

A

A

A

K

G

E

A

P

P

H

H

I

C

F

F

Y

L

S

S

P

V

D

T

K

K

D

W

G

G

A

H

M

S

A

A

V

I

Y

V

R

N

T

T

S

S

G

G

N

N

P

G

Y

D

G

C

H

H

I

I

I

I

L

L

R

R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

S

E

A

A

K

D

H

I

V

Q

A

A

E

A

V

A

K

Q

E

K

G

L

L

K

N

D

K

V

A

G

G

L

L

S

P

H

A

R

Q

M

V

V

M

V

I

D

D

F

F

S

S

H

H

G

A

N

N

S

S

Q

S

K

K

Q

Q

H

F

K

K

R

K

Q

Q

L

M

E

D

V

V

A

C

K

A

D

D

I

V

M

C

T

Q

Q

Q

V

I

A

A

S

G

G

G

S

E

T

K

A

A

I

I

A

I

G

G

I

V

M

M

A

V

E

E

S

S

F

H

I
x
L

E

V

E

E

G

G

N

N

Q

Q

K

S

V

L

V

E

A

S

G

G

E

E

P

P

L

L

I

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

D

G

W

W

A

E

D

D

S

T

E

D

K

A

L

L

L

L

R

R

D

Q

L

L

A

A

A

N

A

A

S

V

K

K

A

A

R

R

binding beta-D-glucopyranose: E65 (≠ D71), R69 (= R75), L299 (≠ I305)

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
56% identity, 97% coverage: 7:348/353 of query aligns to 1:342/343 of 7rudB

query
sites
7rudB

E

D

L

L

R

R

T

I

T

K

L

E

L

I

C

K

K

E

A

L

I

L

S

P

P

P

A

V

K

A

L

L

A

L

S

E

E

K

Y

F

P

P

L

A

T

T

Q

E

D

N

A

A

A

A

D

N

Y

T

L

V

V

A

Q

H

Q

A

R

R

R

K

E

A

V

I

E

H

A

K

I

I

L

L

T

K

G

G

E

N

D

D

K

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

P

Q

V

A

A

A

A

I

K

D

E

Y

Y

A

A

K

T

R

R

L

L

A

L

V

A

L

L

H

R

K

E

E

E

L

L

K

K

D

D

S

E

L

L

C

E

I

I

L

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

S

N

D

D

P

P

D

H

L

M

D

D

G

N

S

S

F

F

N

Q

A

I

N

N

K

D

G

G

L

L

R

R

L

I

A

A

R

R

H

K

L

L

L

L

Q

L

E

D

I

I

T

N

E

D

L

S

N

G

L

L

P

P

I

A

A

A

T

G

E
|
E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

T

S

W

W

G

G

A

A

V

I

G
|
G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

I

N

K

I

V

A

A

I

I

D

D

A

A

V

I

R

N

A

A

A

A

K

G

E

A

P

P

H

H

I

C

F

F

Y

L

S

S

P

V

D

T

K

K

D

W

G

G

A

H

M

S

A

A

V

I

Y

V

R

N

T

T

S

S

G

G

N

N

P

G

Y

D

G

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

S

E

A

A

K

D

H

I

V

Q

A

A

E

A

V

A

K

Q

E

K

G

L

L

K

N

D

K

V

A

G

G

L

L

S

P

H

A

R

Q

M

V

V

M

V

I

D

D

F

F

S

S

H
|
H

G

A

N

N

S

S

Q

S

K

K

Q

Q

H

F

K

K

R

K

Q

Q

L

M

E

D

V

V

A

C

K

A

D

D

I

V

M

C

T

Q

Q

Q

V

I

A

A

S

G

G

G

S

E

T

K

A

A

I

I

A

I

G

G

I

V

M

M

A

V

E

E

S

S

F

H

I

L

E

V

E

E

G

G

N

N

Q

Q

K

S

V

L

V

E

A

S

G

G

E

E

P

P

L

L

I

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

D

G

W

W

A

E

D

D

S

T

E

D

K

A

L

L

L

L

R

R

D

Q

L

L

A

A

A

N

A

A

S

V

K

K

A

A

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)
56% identity, 97% coverage: 7:348/353 of query aligns to 1:338/339 of 1gg1A

query
sites
1gg1A

E

D

L

L

R

R

T

I

T

K

L

E

L

I

C

K

K

E

A

L

I

L

S

P

P

P

A

V

K

A

L

L

A

L

S

E

E

K

Y

F

P

P

L

A

T

T

Q

E

D

N

A

A

A

A

D

N

Y

T

L

V

V

A

Q

H

Q

A

R

R

R

K

E

A

V

I

E

H

A

K

I

I

L

L

T

K

G

G

E

N

D

D

K

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

V

A

A

A

A

I

K

D

E

Y

Y

A

A

K

T

R

R

L

L

A

L

V

A

L

L

H

R

K

E

E

E

L

L

K

K

D

D

S

E

L

L

C

E

I

I

L

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

S

N

D

D

P

P

D

H

L

M

D

D

G

N

S

S

F

F

N

Q

A

I

N

N

K

D

G

G

L

L

R

R

L

I

A

A

R

R

H

K

L

L

L

L

Q

L

E

D

I

I

T

N

E

D

L

S

N

G

L

L

P

P

I

A

A

A

T

G

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

T

S

W

W

G

G

A

A

V

I

G
|
G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

I

N

K

I

V

A

A

I

I

D

D

A

A

V

I

R

N

A

A

A

A

K

G

E

A

P

P

H

H

I

C

F

F

Y

L

S

S

P

V

D

T

K

K

D

W

G

G

A

H

M

S

A

A

V

I

Y

V

R

N

T

T

S

S

G

G

N

N

P

G

Y

D

G

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

S

E

A

A

K

D

H

I

V

Q

A

A

E

A

V

A

K

Q

E

K

G

L

L

K

N

D

K

V

A

G

G

L

L

S

P

H

A

R

Q

M

V

V

M

V

I

D

D

F

F

S

S

H
|
H

G

A

N

N

S

S

Q

S

K

K

Q

Q

H

F

K

K

R

K

Q

Q

L

M

E

D

V

V

A

C

K

A

D

D

I

V

M

C

T

Q

Q

Q

V

I

A

A

S

G

G

G

S

E

T

K

A

A

I

I

A

I

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

N

Q

Q

K

S

V

L

V

-

A

-

G

-

E

-

P

P

L

L

I

A

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

E

D

D

S

T

E

D

K

A

L

L

L

L

R

R

D

Q

L

L

A

A

A

N

A

A

S

V

K

K

A

A

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)
56% identity, 97% coverage: 8:348/353 of query aligns to 1:336/338 of 1qr7A

query
sites
1qr7A

L

L

R

R

T

I

T

K

L

E

L

I

C

K

K

E

A

L

I

L

S

P

P

P

A

V

K

A

L

L

A

L

S

E

E

K

Y

F

P

P

L

A

T

T

Q

E

D

N

A

A

A

A

D

N

Y

T

L

V

V

A

Q

H

Q

A

R

R

R

K

E

A

V

I

E

H

A

K

I

I

L

L

T

K

G

G

E

N

D

D

K

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

V

A

A

A

A

I

K

D

E

Y

Y

A

A

K

T

R

R

L

L

A

L

V

A

L

L

H

R

K

E

E

E

L

L

K

K

D

D

S

E

L

L

C

E

I

I

L

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

S

N

D

D

P

P

D

H

L

M

D

D

G

N

S

S

F

F

N

Q

A

I

N

N

K

D

G

G

L

L

R

R

L

I

A

A

R

R

H

K

L

L

L

L

Q

L

E

D

I

I

T

N

E

D

L

S

N

G

L

L

P

P

I

A

A

A

T

G

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

T

S

W

W

G

G

A

A

V

I

G

G

A

A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

I

N

K

I

V

A

A

I

I

D

D

A

A

V

I

R

N

A

A

A

A

K

G

E

A

P

P

H

H

I

C

F

F

Y

L

S

S

P

V

D

T

K

K

D

W

G

G

A

H

M

S

A

A

V

I

Y

V

R

N

T

T

S

S

G

G

N

N

P

G

Y

D

G

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

S

E

A

A

K

D

H

I

V

Q

A

A

E

A

V

A

K

Q

E

K

G

L

L

K

N

D

K

V

A

G

G

L

L

S

P

H

A

R

Q

M

V

V

M

V

I

D

D

F

F

S

S

H
|
H

G

A

N

N

S

S

Q

S

K

K

Q

Q

H

F

K

K

R

K

Q

Q

L

M

E

D

V

V

A

C

K

A

D

D

I

V

M

C

T

Q

Q

Q

V

I

A

A

S

G

G

G

S

E

T

K

A

A

I

I

A

I

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

N

Q

Q

K

S

V

L

V

L

A

A

G

-

E

-

P

-

L

-

I

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

E

D

D

S

T

E

D

K

A

L

L

L

L

R

R

D

Q

L

L

A

A

A

N

A

A

S

V

K

K

A

A

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)
55% identity, 97% coverage: 5:348/353 of query aligns to 1:338/339 of 7rueA

query
sites
7rueA

T

N

D

D

E

D

L

L

R

R

T

I

T

K

L

E

L

I

C

K

K

E

A

L

I

L

S

P

P

P

A

V

K

A

L

L

A

L

S

E

E

K

Y

F

P

P

L

A

T

T

Q

E

D

N

A

A

A

A

D

N

Y

T

L

V

V

A

Q

H

Q

A

R

R

R

K

E

A

V

I

E

H

A

K

I

I

L

L

T

K

G

G

E

N

D

D

K

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

V

A

A

A

A

I

K

D

E

Y

Y

A

A

K

T

R

R

L

L

A

L

V

A

L

L

H

R

K

E

E

E

L

L

K

K

D

D

S

E

L

L

C

E

I

I

L

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

S

N

D

D

P

P

D

H

L

M

D

D

G

N

S

S

F

F

N

Q

A

I

N

N

K

D

G

G

L

L

R

R

L

I

A

A

R

R

H

K

L

L

L

L

Q

L

E

D

I

I

T

N

E

D

L

S

N

G

L

L

P

P

I

A

A

A

T

G

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

T

S

W

W

G

G

A

A

V

I

G
|
G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

I

N

K

I

V

A

A

I

I

D

D

A

A

V

I

R

N

A

A

A

A

K

G

E

A

P

P

H

H

I

C

F

F

Y

L

S

S

P

V

D

T

K

K

D

W

G

G

A

H

M

S

A

A

V

I

Y

V

R

N

T

T

S

S

G

G

N

N

P

G

Y

D

G

C

H

H

I

I

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

S

E

A

A

K

D

H

I

V

Q

A

A

E

A

V

A

K

Q

E

K

G

L

L

K

N

D

K

V

A

G

G

L

L

S

P

H

A

R

Q

M

V

V

M

V

I

D

D

F

F

S

S

H
|
H

G

A

N

N

S

S

Q

S

K

-

Q

Q

H

F

K

K

R

K

Q

Q

L

M

E

D

V

V

A

C

K

A

D

D

I

V

M

C

T

Q

Q

Q

V

I

A

A

S

G

G

G

S

E

T

K

A

A

I

I

A

I

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

N

Q

Q

K

S

V

L

V

L

A

A

G

-

E

-

P

-

L

-

I

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

E

D

D

S

T

E

D

K

A

L

L

L

L

R

R

D

Q

L

L

A

A

A

N

A

A

S

V

K

K

A

A

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)
55% identity, 97% coverage: 5:348/353 of query aligns to 1:337/339 of 5cksA

query
sites
5cksA

T

N

D

D

E

D

L

L

R

R

T

I

T

K

L

E

L

I

C

K

K

E

A

L

I

L

S

P

P

P

A

V

K

A

L

L

A

L

S

E

E

K

Y

F

P

P

L

A

T

T

Q

E

D

N

A

A

A

A

D

N

Y

T

L

V

V

A

Q

H

Q

A

R

R

R

K

E

A

V

I

E

H

A

K

I

I

L

L

T

K

G

G

E

N

D

D

K

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

P

Q

V

A

A

A

A

I

K

D

E

Y

Y

A

A

K

T

R

R

L

L

A

L

V

A

L

L

H

R

K

E

E

E

L

L

K

K

D

D

S

E

L

L

C

E

I

I

L

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

S
x
N

D

D

P

P

D

H

L

M

D

D

G

N

S

S

F

F

N

Q

A

I

N

N

K

D

G

G

L

L

R

R

L

I

A

A

R

R

H

K

L

L

L

L

Q

L

E

D

I

I

T

N

E

D

L

S

N

G

L

L

P

P

I

A

A

A

T

G

E

E

F

F

L

L

D
|
D

M

M

V

I

N
x
T

G

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

T

S

W

W

G

G

A

A

V

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

I

N

K

I

V

A

A

I

I

D

D

A

A

V

I

R

N

A

A

A

A

K

G

E

A

P

P

H

H

I

C

F

F

Y

L

S

S

P

V

D

T

K

K

D

W

G

G

A

H

M

S

A

A

V

I

Y

V

R

N

T

T

S

S

G

G

N

N

P

G

Y

D

G

C

H

H

I

I

I

I

L

L

R

R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

S

E

A

A

K

D

H

I

V

Q

A

A

E

A

V

A

K

Q

E

K

G

L

L

K

N

D

K

V

A

G

G

L

L

S

P

H

A

R

Q

M

V

V

M

V

I

D

D

F

F

S

S

H

H

G

A

N

N

S

S

Q

S

K

K

Q

Q

H

F

K

K

R

K

Q

Q

L

M

E

D

V

V

A

C

K

A

D

D

I

V

M

C

T

Q

Q

Q

V

I

A

A

S

G

G

G

S

E

T

K

A

A

I

I

A

I

G

G

I

V

M

M

A

V

E

E

S

S

F

H

I

L

E

V

E

E

G

G

N

N

Q

Q

K

S

V

L

V

L

A

A

G

-

E

-

P

-

L

-

I

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

D

G

W

W

A

E

D

D

S

T

E

D

K

A

L

L

L

L

R

R

D

Q

L

L

A

A

A

N

A

A

S

V

K

K

A

A

R

R

binding beta-D-galactopyranose: E92 (= E96), N103 (≠ S109), D140 (= D146), T143 (≠ N149)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
53% identity, 98% coverage: 5:351/353 of query aligns to 2:344/344 of 5dceA

query
sites
5dceA

T

T

D

D

E

D

L

I

R

K

T

I

T

K

L

E

L

V

C

K

K

E

A

L

I

L

S

P

P

P

A

I

K

A

L

H

A

L

S

Y

E

E

Y

L

P

P

L

I

T

S

Q

K

D

E

A

A

A

S

D

G

Y

L

L

V

V

H

Q

R

Q

T

R

R

R

Q

E

E

V

I

E

S

A

D

I

L

L

V

T

H

G

G

E

R

D

D

K

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

K

A

A

A

A

I

L

D

E

Y

Y

A

A

K

E

R

R

L

L

A

L

V

K

L

L

H

R

K

K

E

Q

L

Y

K

E

D

N

S

E

L

L

C

L

I

I

L

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

S

N

D

D

P

P

D

H

L

L

D

D

G

G

S

T

F

F

N

D

A

I

N

N

K

F

G

G

L

L

R

R

L

Q

A

A

R

R

H

S

L

L

L

L

Q

L

E

S

I

L

T

N

E

N

L

M

N

G

L

M

P

P

I

A

A

S

T

T

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q
|
Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

T

S

W

W

G

G

A

A

V

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

L

N

K

I

I

A

A

I

I

D

D

A

A

V

I

R

G

A

A

A

A

K

S

E

H

P

S

H

H

I

H

F

F

Y

L

S
|
S

P
x
V

D

T

K

K

D

A

G

G

A

H

M

S

A

A

V

I

Y
x
V

R

H

T

T

S

G

G

G

N

N

P

P

Y

D

G

C

H

H

I

V

I

I

L

L

R

R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

D

E

A

A

E

D

H

I

V

Q

S

A

E

A

A

A

A

Q

E

K

Q

L

L

K

R

D

A

V

A

G

G

L

V

S

T

H

D

R

K

M

L

V

M

V

I

D

D

F

C

S

S

H
|
H

G

A

N

N

S

S

Q

R

K

K

Q

D

H

Y

K

T

R

R

Q

Q

L

M

E

E

V

V

A

A

K

Q

D

D

I

I

M

A

T

A

Q

Q

V

L

A

E

S

Q

G

D

S

G

T

G

A

N

I

I

A

M

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

R

Q

Q

K

D

V

-

V

-

A

-

G

-

E

K

P

P

L

E

I

V

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

G

D

A

S

T

E

E

K

E

L

L

L

L

R

A

D

L

L

L

A

A

A

G

A

A

S

N

K

K

A

K

R

R

M

M

A

A

K

R

binding manganese (ii) ion: C58 (= C61), H265 (= H268), E299 (= E302), D319 (= D326)
binding tryptophan: Q148 (= Q151), L176 (= L179), S177 (= S180), S208 (= S211), V209 (≠ P212), V218 (≠ Y221)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
53% identity, 98% coverage: 5:351/353 of query aligns to 4:346/346 of 5dcdA

query
sites
5dcdA

T

T

D

D

E

D

L

I

R

K

T

I

T

K

L

E

L

V

C

K

K

E

A

L

I

L

S

P

P

P

A

I

K

A

L

H

A

L

S

Y

E

E

Y

L

P

P

L

I

T

S

Q

K

D

E

A

A

A

S

D

G

Y

L

L

V

V

H

Q

R

Q

T

R

R

R

Q

E

E

V

I

E

S

A

D

I

L

L

V

T

H

G

G

E

R

D

D

K

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

K

A

A

A

A

I

L

D

E

Y

Y

A

A

K

E

R

R

L

L

A

L

V

K

L

L

H

R

K

K

E

Q

L

Y

K

E

D

N

S

E

L

L

C

L

I

I

L

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

S

N

D

D

P

P

D

H

L

L

D

D

G

G

S

T

F

F

N

D

A

I

N

N

K

F

G

G

L

L

R

R

L

Q

A

A

R

R

H

S

L

L

L

L

Q

L

E

S

I

L

T

N

E

N

L

M

N

G

L

M

P

P

I

A

A

S

T

T

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q
|
Q

Y

Y

I

Y

A
|
A

D

D

L

L

I

I

T

S

W

W

G

G

A

A

V

I

G

G

A
|
A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

L

N

K

I

I

A

A

I

I

D

D

A

A

V

I

R

G

A

A

A

A

K

S

E

H

P

S

H

H

I

H

F

F

Y

L

S
|
S

P

V

D

T

K

K

D

A

G

G

A

H

M

S

A

A

V

I

Y
x
V

R

H

T

T

S

G

G

G

N

N

P

P

Y

D

G

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

D

E

A

A

E

D

H

I

V

Q

S

A

E

A

A

A

A

Q

E

K

Q

L

L

K

R

D

A

V

A

G

G

L

V

S

T

H

D

R

K

M

L

V

M

V

I

D

D

F

C

S

S

H
|
H

G

A

N

N

S

S

Q

R

K

K

Q

D

H

Y

K

T

R

R

Q

Q

L

M

E

E

V

V

A

A

K

Q

D

D

I

I

M

A

T

A

Q

Q

V

L

A

E

S

Q

G

D

S

G

T

G

A

N

I

I

A

M

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

R

Q

Q

K

D

V

-

V

-

A

-

G

-

E

K

P

P

L

E

I

V

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

G

D

A

S

T

E

E

K

E

L

L

L

L

R

A

D

L

L

L

A

A

A

G

A

A

S

N

K

K

A

K

R

R

M

M

A

A

K

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 (= S211), V220 (≠ Y221)

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
53% identity, 98% coverage: 5:351/353 of query aligns to 6:348/348 of 5dcbC

query
sites
5dcbC

T

T

D

D

E

D

L

I

R

K

T

I

T

K

L

E

L

V

C

K

K

E

A

L

I

L

S

P

P

P

A

I

K

A

L

H

A

L

S

Y

E

E

Y

L

P

P

L

I

T

S

Q

K

D

E

A

A

A

S

D

G

Y

L

L

V

V

H

Q

R

Q

T

R

R

R

Q

E

E

V

I

E

S

A

D

I

L

L

V

T

H

G

G

E

R

D

D

K

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

K

A

A

A

A

I

L

D

E

Y

Y

A

A

K

E

R

R

L

L

A

L

V

K

L

L

H

R

K

K

E

Q

L

Y

K

E

D

N

S

E

L

L

C

L

I

I

L

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

S

N

D

D

P

P

D

H

L

L

D

D

G

G

S

T

F

F

N

D

A

I

N

N

K

F

G

G

L

L

R

R

L

Q

A

A

R

R

H

S

L

L

L

L

Q

L

E

S

I

L

T

N

E

N

L

M

N

G

L

M

P

P

I

A

A

S

T

T

E
|
E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q
|
Q

Y

Y

I

Y

A
|
A

D

D

L

L

I

I

T

S

W

W

G

G

A

A

V

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

L

N

K

I

I

A

A

I

I

D

D

A

A

V

I

R

G

A

A

A

A

K

S

E

H

P

S

H

H

I

H

F
|
F

Y

L

S
|
S

P

V

D

T

K

K

D

A

G

G

A

H

M

S

A

A

V

I

Y
x
V

R

H

T

T

S

G

G

G

N

N

P

P

Y

D

G

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

D

E

A

A

E

D

H

I

V

Q

S

A

E

A

A

A

A

Q

E

K

Q

L

L

K

R

D

A

V

A

G

G

L

V

S

T

H

D

R

K

M

L

V

M

V

I

D

D

F

C

S

S

H
|
H

G

A

N

N

S

S

Q

R

K

K

Q

D

H

Y

K

T

R

R

Q

Q

L

M

E

E

V

V

A

A

K

Q

D

D

I

I

M

A

T

A

Q

Q

V

L

A

E

S

Q

G

D

S

G

T

G

A

N

I

I

A

M

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

R

Q

Q

K

D

V

-

V

-

A

-

G

-

E

K

P

P

L

E

I

V

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

G

D

A

S

T

E

E

K

E

L

L

L

L

R

A

D

L

L

L

A

A

A

G

A

A

S

N

K

K

A

K

R

R

M

M

A

A

K

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 (= S211), V222 (≠ Y221)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
52% identity, 98% coverage: 5:351/353 of query aligns to 2:344/345 of 4hsoA

query
sites
4hsoA

T

T

D

D

E

D

L

I

R

K

T

I

T

K

L

E

L

V

C

K

K

E

A

L

I

L

S

P

P

P

A

I

K

A

L

H

A

L

S

Y

E

E

Y

L

P

P

L

I

T

S

Q

K

D

E

A

A

A

S

D

G

Y

L

L

V

V

H

Q

R

Q

T

R

R

R

Q

E

E

V

I

E

S

A

D

I

L

L

V

T

H

G

G

E

R

D

D

K

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

K

A

A

A

A

I

L

D

E

Y

Y

A

A

K

E

R

R

L

L

A

L

V

K

L

L

H

R

K

K

E

Q

L

Y

K

E

D

N

S

E

L

L

C

L

I

I

L

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

S

N

D

D

P

P

D

H

L

L

D

D

G

G

S

T

F

F

N

D

A

I

N

N

K

F

G

G

L

L

R

R

L

Q

A

A

R

R

H

S

L

L

L

L

Q

L

E

S

I

L

T

N

E

N

L

M

N

G

L

M

P

P

I

A

A

S

T

T

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q
|
Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

T

S

W

W

G

G

A

A

V

I

G

G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M
x
L

A

A

S

S

A

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

I

L

N

K

I

I

A

A

I

I

D

D

A

A

V

I

R

G

A

A

A

A

K

S

E

H

P

S

H

H

I

H

F

F

Y

L

S

G

P

V

D

T

K

K

D

A

G

G

A

H

M

S

A

A

V

I

Y

V

R

H

T

T

S

G

G

G

N

N

P

P

Y

D

G

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

D

E

A

A

E

D

H

I

V

Q

S

A

E

A

A

A

A

Q

E

K

Q

L

L

K

R

D

A

V

A

G

G

L

V

S

T

H

D

R

K

M

L

V

M

V

I

D

D

F

C

S

S

H
|
H

G

A

N

N

S

S

Q

R

K

K

Q

D

H

Y

K

T

R

R

Q

Q

L

M

E

E

V

V

A

A

K

Q

D

D

I

I

M

A

T

A

Q

Q

V

L

A

E

S

Q

G

D

S

G

T

G

A

N

I

I

A

M

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

R

Q

Q

K

D

V

-

V

-

A

-

G

-

E

K

P

P

L

E

I

V

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

G

D

A

S

T

E

E

K

E

L

L

L

L

R

A

D

L

L

L

A

A

A

G

A

A

S

N

K

K

A

K

R

R

M

M

A

A

K

R

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 (≠ M175), L176 (= L179), S177 (= S180)

8e0sA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
55% identity, 97% coverage: 7:348/353 of query aligns to 1:334/336 of 8e0sA

query
sites
8e0sA

E

D

L

L

R

R

T

I

T

K

L

E

L

I

C

K

K

E

A

L

I

L

S

P

P

P

A

V

K

A

L

L

A

L

S

E

E

K

Y

F

P

P

L

A

T

T

Q

E

D

N

A

A

A

A

D

N

Y

T

L

V

V

A

Q

H

Q

A

R

R

R

K

E

A

V

I

E

H

A

K

I

I

L

L

T

K

G

G

E

N

D

D

K

D

R

R

L

L

L

L

V

V

I

V

I

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

T

P

Q

V

A

A

A

A

I

K

D

E

Y

Y

A

A

K

T

R

R

L

L

A

L

V

A

L

L

H

R

K

E

E

E

L

L

K

K

D

D

S

E

L

L

C

E

I

I

L

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

S

N

D

D

P

P

D

H

L

M

D

D

G

N

S

S

F

F

N

Q

A

I

N

N

K

D

G

G

L

L

R

R

L

I

A

A

R

R

H

K

L

L

L

L

Q

L

E

D

I

I

T

N

E

D

L

S

N

G

L

L

P

P

I

A

A

A

T

G

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

L

A

A

D

D

L

L

I

M

T

S

W

W

G

G

A

A

V

I

G

G

A

A

R

R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

I

N

K

I

V

A

A

I

I

D

D

A

A

V

I

R

N

A

A

A

A

K

G

E

A

P

P

H

H

I

C

F

F

Y

L

S

S

P

V

D

T

K

K

D

W

G

G

A

H

M

S

A

A

V

I

Y

V

R

N

T

T

S
|
S

G
|
G

N

N

P
x
G

Y

D

G

C

H

H

I

I

I

I

L

L

R

R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

S

E

A

A

K

D

H

I

V

Q

A

A

E

A

V

A

K

Q

E

K

G

L

L

K

N

D

K

V

A

G

G

L

L

S

P

H

A

R

Q

M

V

V

M

V

I

D

D

F

F

S

S

H

H

G

A

N

N

S

S

Q

S

K

K

Q

Q

H

F

K

K

R

K

Q

Q

L

M

E

D

V

V

A

C

K

A

D

D

I

V

M

C

T

Q

Q

Q

V

I

A

A

S

G

G

G

S

E

T

K

A

A

I

I

A

I

G

G

I

V

M

M

A

V

E

E

S

S

F

H

I

L

E

V

E

E

G

G

N

N

Q

Q

K

S

V

L

V

L

A

A

G

-

E

-

P

-

L

-

I

-

Y

Y

G

G

K

K

S

S

I

I

T

T

D

D

A

A

C

C

L

I

D

G

W

W

A

E

D

D

S

T

E

D

K

A

L

L

L

L

R

R

D

Q

L

L

A

A

A

N

A

A

S

V

K

K

A

A

R

R

binding alpha-D-glucopyranose: S215 (= S224), G216 (= G225), G218 (≠ P227)

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, 95% coverage: 17:351/353 of query aligns to 4:334/334 of 4umcA

query
sites
4umcA

I

L

S

P

P

P

A

I

K

A

L

H

A

L

S

Y

E

E

Y

L

P

P

L

I

T

S

Q

K

D

E

A

A

A

S

D

G

Y

L

L

V

V

H

Q

R

Q

T

R

R

R

Q

E

E

V

I

E

S

A

D

I

L

L

V

T

H

G

G

E

R

D

D

K

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

K

A

A

A

A

I

L

D

E

Y

Y

A

A

K

E

R

R

L

L

A

L

V

K

L

L

H

R

K

K

E

Q

L

Y

K

E

D

N

S

E

L

L

C

L

I

I

L

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

S

N

D

D

P

P

D

H

L

L

D

D

G

G

S

T

F

F

N

D

A

I

N

N

K

F

G

G

L

L

R

R

L

Q

A

A

R

R

H

S

L

L

L

L

Q

L

E

S

I

L

T

N

E

N

L

M

N

G

L

M

P

P

I

A

A

S

T

T

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

T

S

W

W

G

G

A

A

V

I

G
|
G

A

A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

L

N

K

I

I

A

A

I

I

D

D

A

A

V

I

R

G

A

A

A

A

K

S

E

H

P

S

H

H

I

H

F

F

Y

L

S

S

P

V

D

T

K

K

D

A

G

G

A

H

M

S

A

A

V

I

Y

V

R

H

T

T

S

G

G

G

N

N

P

P

Y

D

G

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

D

E

A

A

E

D

H

I

V

Q

S

A

E

A

A

A

A

Q

E

K

Q

L

L

K

R

D

A

V

A

G

G

L

V

S

T

H

D

R

K

M

L

V

M

V

I

D

D

F

C

S

S

H
|
H

G

A

N

N

S

S

Q

R

K

K

Q

D

H

Y

K

T

R

R

Q

Q

L

M

E

E

V

V

A

A

K

Q

D

D

I

I

M

A

T

A

Q

Q

V

L

A

E

S

Q

G

D

S

G

T

G

A

N

I

I

A

M

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

R

Q

Q

K

D

V

-

V

-

A

-

G

-

E

K

P

P

L

E

I

V

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

G

D

A

S

T

E

E

K

E

L

L

L

L

R

A

D

L

L

L

A

A

A

G

A

A

S

N

K

K

A

K

R

R

M

M

A

A

K

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)

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, 95% coverage: 17:351/353 of query aligns to 3:333/333 of 4umaA

query
sites
4umaA

I

L

S

P

P

P

A

I

K

A

L

H

A

L

S

Y

E

E

Y

L

P

P

L

I

T

S

Q

K

D

E

A

A

A

S

D

G

Y

L

L

V

V

H

Q

R

Q

T

R

R

R

Q

E

E

V

I

E

S

A

D

I

L

L

V

T

H

G

G

E

R

D

D

K

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

K

A

A

A

A

I

L

D

E

Y

Y

A

A

K

E

R

R

L

L

A

L

V

K

L

L

H

R

K

K

E

Q

L

Y

K

E

D

N

S

E

L

L

C

L

I

I

L

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

S

N

D

D

P

P

D

H

L

L

D

D

G

G

S

T

F

F

N

D

A

I

N

N

K

F

G

G

L

L

R

R

L

Q

A

A

R

R

H

S

L

L

L

L

Q

L

E

S

I

L

T

N

E

N

L

M

N

G

L

M

P

P

I

A

A

S

T

T

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

T

S

W

W

G

G

A

A

V

I

G
|
G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

L

N

K

I

I

A

A

I

I

D

D

A

A

V

I

R

G

A

A

A

A

K

S

E

H

P

S

H

H

I

H

F

F

Y

L

S

S

P

V

D

T

K

K

D

A

G

G

A

H

M

S

A

A

V

I

Y

V

R

H

T

T

S

G

G

G

N

N

P

P

Y

D

G

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

D

E

A

A

E

D

H

I

V

Q

S

A

E

A

A

A

A

Q

E

K

Q

L

L

K

R

D

A

V

A

G

G

L

V

S

T

H

D

R

K

M

L

V

M

V

I

D

D

F

C

S

S

H
|
H

G

A

N

N

S

S

Q

R

K

K

Q

D

H

Y

K

T

R

R

Q

Q

L

M

E

E

V

V

A

A

K

Q

D

D

I

I

M

A

T

A

Q

Q

V

L

A

E

S

Q

G

D

S

G

T

G

A

N

I

I

A

M

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

R

Q

Q

K

D

V

-

V

-

A

-

G

-

E

K

P

P

L

E

I

V

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

G

D

A

S

T

E

E

K

E

L

L

L

L

R

A

D

L

L

L

A

A

A

G

A

A

S

N

K

K

A

K

R

R

M

M

A

A

K

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)

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, 95% coverage: 17:351/353 of query aligns to 4:334/335 of 4umbA

query
sites
4umbA

I

L

S

P

P

P

A

I

K

A

L

H

A

L

S

Y

E

E

Y

L

P

P

L

I

T

S

Q

K

D

E

A

A

A

S

D

G

Y

L

L

V

V

H

Q

R

Q

T

R

R

R

Q

E

E

V

I

E

S

A

D

I

L

L

V

T

H

G

G

E

R

D

D

K

K

R

R

L

L

L

L

V

V

I

I

I

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

K

A

A

A

A

I

L

D

E

Y

Y

A

A

K

E

R

R

L

L

A

L

V

K

L

L

H

R

K

K

E

Q

L

Y

K

E

D

N

S

E

L

L

C

L

I

I

L

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

S

N

D

D

P

P

D

H

L

L

D

D

G

G

S

T

F

F

N

D

A

I

N

N

K

F

G

G

L

L

R

R

L

Q

A

A

R

R

H

S

L

L

L

L

Q

L

E

S

I

L

T

N

E

N

L

M

N

G

L

M

P

P

I

A

A

S

T

T

E

E

F

F

L

L

D

D

M

M

V

I

N

T

G

P

Q

Q

Y

Y

I

Y

A

A

D

D

L

L

I

I

T

S

W

W

G

G

A

A

V

I

G

G

A
|
A

R
|
R

T

T

T

T

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

L

N

K

I

I

A

A

I

I

D

D

A

A

V

I

R

G

A

A

A

A

K

S

E

H

P

S

H

H

I

H

F

F

Y

L

S

S

P

V

D

T

K

K

D

A

G

G

A

H

M

S

A

A

V

I

Y

V

R

H

T

T

S

G

G

G

N

N

P

P

Y

D

G

C

H

H

I

V

I

I

L

L

R
|
R

G

G

G

G

K

K

Q

E

P

P

N

N

Y

Y

H

D

E

A

A

E

D

H

I

V

Q

S

A

E

A

A

A

A

Q

E

K

Q

L

L

K

R

D

A

V

A

G

G

L

V

S

T

H

D

R

K

M

L

V

M

V

I

D

D

F

C

S

S

H
|
H

G

A

N

N

S

S

Q

R

K

K

Q

D

H

Y

K

T

R

R

Q

Q

L

M

E

E

V

V

A

A

K

Q

D

D

I

I

M

A

T

A

Q

Q

V

L

A

E

S

Q

G

D

S

G

T

G

A

N

I

I

A

M

G

G

I

V

M

M

A

V

E
|
E

S

S

F

H

I

L

E

V

E

E

G

G

N

R

Q

Q

K

D

V

-

V

-

A

-

G

-

E

K

P

P

L

E

I

V

Y

Y

G

G

K

K

S

S

I

I

T

T

D
|
D

A

A

C

C

L

I

D

G

W

W

A

G

D

A

S

T

E

E

K

E

L

L

L

L

R

A

D

L

L

L

A

A

A

G

A

A

S

N

K

K

A

K

R

R

M

M

A

A

K

R

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)

3tqkA Structure of phospho-2-dehydro-3-deoxyheptonate aldolase from francisella tularensis schu s4 (see paper)
49% identity, 95% coverage: 15:348/353 of query aligns to 6:339/341 of 3tqkA

query
sites
3tqkA

K

K

A

V

I

L

S

I

P

P

A

A

K

E

-

V

L

L

A

I

S

Q

E

D

Y

I

P

P

L

L

T

L

Q

K

D

T

A

S

A

F

D

E

Y

T

L

V

V

R

Q

K

Q

S

R

R

R

K

E

E

V

I

E

A

A

N

I

I

L

I

T

H

G

G

E

N

D

D

K

D

R

R

L

V

L

A

V

V

I

V

I

V

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

T

P

Q

A

A

A

A

A

I

I

D

E

Y

Y

A

A

K

T

R

K

L

L

A

K

V

E

L

Q

H

V

K

K

E

K

L

F

K

H

D

K

S

D

L

I

C

L

I

I

L

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

S

N

D

D

P

P

D

D

L

L

D

D

G

N

S

S

F

Y

N

N

A

I

N

N

K

K

G

G

L

L

R

R

L

L

A

A

R

R

H

N

L

L

L

L

Q

S

E

D

I

L

T

T

E

N

L

M

N

G

L

L

P

P

I

C

A

A

T

T

E

E

F

F

L

L

D

D

M

V

V

I

N

T

G

P

Q

Q

Y

Y

I

F

A

A

D

E

L

L

I

I

T

T

W

W

G

G

A

A

V

I

G

G

A

A

R

R

T

T

T

V

E

E

S

S

Q

Q

I

V

H

H

R

R

E

E

M

L

A

A

S

S

A

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

I

V

N

Q

I

V

A

A

I

V

D

D

A

A

V

V

R

K

A

S

A

A

K

T

E

Y

P

P

H

H

I

H

F

F

Y

L

S

S

P

T

D

T

K

K

D

S

G

G

A

S

M

T

A

A

V

I

Y

F

R

A

T

T

S

K

G

G

N

N

P

Q

Y

N

G

G

H

H

I

V

I

I

L

L

R

R

G

G

G

G

K

A

Q

S

-

G

P

P

N

N

Y

F

H

S

E

K

A

E

D

H

I

V

Q

D

A

D

A

C

A

I

Q

A

K

K

L

L

K

K

D

K

V

A

G

D

L

I

S

N

H

T

R

K

M

V

V

M

V

I

D

D

F

C

S

S

H
|
H

G

G

N

N

S

S

Q

Q

K

K

Q

D

H

H

K

S

R

K

Q

Q

L

I

E

S

V

V

A

L

K

A

D

D

I

I

M

C

T

E

Q

Q

V

I

A

K

S

H

G

-

S

S

T

N

A

D

I

I

A

F

G

G

I

V

M

M

A

I

E
|
E

S

S

F

N

I

L

E

V

E

A

G

G

N

N

Q

Q

K

D

V

-

V

I

A

N

G

K

E

K

P

P

L

L

I

T

Y

Y

G

G

K

Q

S

S

I

V

T

T

D
|
D

A

K

C

C

L

V

D

D

W

F

A

E

D

E

S

T

E

V

K

K

L

M

L

L

R

E

D

M

L

L

A

A

A

E

A

A

S

V

K

Q

A

V

R

R

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

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, 94% coverage: 18:348/353 of query aligns to 12:339/344 of 1ofoA

query
sites
1ofoA

S

S

P

P

A

A

K

L

L

L

A

Q

S

V

E

Q

Y

I

P

P

L

A

T

T

Q

P

D

T

A

S

A

L

D

E

Y

T

L

A

V

K

Q

R

Q

G

R

R

R

R

E

E

V

A

E

I

A

D

I

I

L

I

T

T

G

G

E

K

D

D

K

D

R

R

L

V

L

L

V

V

I

I

I

V

G

G

P

P

C

C

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I

I

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D

D

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Q

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A

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A

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R

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G

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A

G

L

L

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F

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G

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K

N

N

G

G

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G

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R

G

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A

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-

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H

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N

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N

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A

A

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-

P

-

L

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R

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

1of8A Double complex of the tyrosine sensitive dahp synthase from s. Cerevisiae with co2+, pep and the e4p analogoue g3p (see paper)
51% identity, 94% coverage: 18:348/353 of query aligns to 11:335/339 of 1of8A

query
sites
1of8A

S

S

P

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A

A

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C

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P

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R

T
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T

T

T

V

V

G

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W

W

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K

G

G

L

L

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I

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N

D

D

P

P

D

D

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D

N

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I

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K

N

N

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R

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H

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-

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binding cobalt (ii) ion: C54 (= C61), H260 (= H268), E294 (= E302), D313 (= D326)
binding sn-glycerol-3-phosphate: P91 (= P98), R92 (= R99), T93 (= T100), D313 (= D326)
binding phosphoenolpyruvate: R85 (= R92), G156 (= G163), K179 (= K186), R227 (= R234), H260 (= H268)

Query Sequence

>5209069 FitnessBrowser__PV4:5209069
MTIKTDELRTTLLCKAISPAKLASEYPLTQDAADYLVQQRREVEAILTGEDKRLLVIIGP
CSIHDTQAAIDYAKRLAVLHKELKDSLCILMRVYFEKPRTTVGWKGLISDPDLDGSFNAN
KGLRLARHLLQEITELNLPIATEFLDMVNGQYIADLITWGAVGARTTESQIHREMASALS
CPVGFKNGTDGNINIAIDAVRAAKEPHIFYSPDKDGAMAVYRTSGNPYGHIILRGGKQPN
YHEADIQAAAQKLKDVGLSHRMVVDFSHGNSQKQHKRQLEVAKDIMTQVASGSTAIAGIM
AESFIEEGNQKVVAGEPLIYGKSITDACLDWADSEKLLRDLAAASKARMAKLS

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