SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012465923.1 NCBI__GCF_000020465.1:WP_012465923.1 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)

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
56% identity, 96% coverage: 6:345/353 of query aligns to 1:339/343 of 8e0sD

query
sites
8e0sD

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V
x
E

Y

Y

A

A

E

T

K
x
R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R

R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H

H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E

E

S

S

N

H

L
|
L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

E

D

S

P

G

E

E

K

P

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding beta-D-glucopyranose: E65 (≠ V70), R69 (≠ K74), L299 (= L304)

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
56% identity, 96% coverage: 6:345/353 of query aligns to 1:339/343 of 7rudB

query
sites
7rudB

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E
|
E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E

E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

E

D

S

P

G

E

E

K

P

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid: E137 (= E142), G157 (= G162), A158 (= A163), K180 (= K185), R228 (= R233), H262 (= H267)

5cksB Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
56% identity, 96% coverage: 6:345/353 of query aligns to 2:340/345 of 5cksB

query
sites
5cksB

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L
x
K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D
|
D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q
|
Q

T

V

H

H

R

R

Q
x
E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F
|
F

L
|
L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R

R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E

E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

E

D

S

P

G

E

E

K

P

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding DAHP Oxime: R87 (= R91), Y89 (= Y93), K92 (= K96), P93 (= P97), R94 (= R98), T95 (= T99), K181 (= K185), H263 (= H267), D321 (= D326)
binding beta-D-galactopyranose: K65 (≠ L69), D127 (= D131), Q165 (= Q169), E169 (≠ Q173), F204 (= F208), L205 (= L209)

1kflA Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase (dahp synthase) from e.Coli complexed with mn2+, pep, and phe (see paper)
55% identity, 97% coverage: 3:345/353 of query aligns to 4:345/350 of 1kflA

query
sites
1kflA

Q

Q

L

N

H

D

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q
|
Q

Y

Y

V

L

A
|
A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F
|
F

L

L

G
x
S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I
x
V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

E

D

S

P

G

E

E

K

P

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding manganese (ii) ion: C61 (= C60), K97 (= K96), H268 (= H267), E302 (= E301), D326 (= D326)
binding phosphoenolpyruvate: R92 (= R91), K186 (= K185), R234 (= R233), H268 (= H267)
binding phenylalanine: Q151 (= Q150), A154 (= A153), L179 (= L178), S180 (= S179), F209 (= F208), S211 (≠ G210), V221 (≠ I220)

P0AB91 Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive; 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase; DAHP synthase; Phospho-2-keto-3-deoxyheptonate aldolase; EC 2.5.1.54 from Escherichia coli (strain K12) (see paper)
55% identity, 97% coverage: 3:345/353 of query aligns to 4:345/350 of P0AB91

query
sites
P0AB91

Q

Q

L

N

H

D

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R

R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q
x
K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H

H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E

E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

E

D

S

P

G

E

E

K

P

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

K244 (≠ Q243) modified: N6-acetyllysine

1gg1A Crystal structure analysis of dahp synthase in complex with mn2+ and 2-phosphoglycolate (see paper)
55% identity, 96% coverage: 6:345/353 of query aligns to 1:335/339 of 1gg1A

query
sites
1gg1A

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G
|
G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

P

E

-

D

-

P

-

E

-

K

-

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding manganese (ii) ion: C55 (= C60), H262 (= H267), E296 (= E301), D316 (= D326)
binding 2-phosphoglycolic acid: R86 (= R91), K91 (= K96), G157 (= G162), K180 (= K185), R228 (= R233), H262 (= H267)

1qr7A Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from escherichia coli complexed with pb2+ and pep (see paper)
55% identity, 96% coverage: 7:345/353 of query aligns to 1:333/338 of 1qr7A

query
sites
1qr7A

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R
|
R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

-

D

-

P

-

E

-

K

-

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding lead (ii) ion: C54 (= C60), H261 (= H267), E295 (= E301), D314 (= D326)
binding phosphoenolpyruvate: R85 (= R91), Y87 (= Y93), R158 (= R164), K179 (= K185), R227 (= R233), H261 (= H267)

7rueA Dahp synthase complexed with trifluoropyruvate semicarbazone (see paper)
55% identity, 96% coverage: 6:345/353 of query aligns to 3:335/339 of 7rueA

query
sites
7rueA

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H
|
H

A

A

N

N

S

S

G

-

K

S

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

-

D

-

P

-

E

-

K

-

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid: R88 (= R91), Y90 (= Y93), G159 (= G162), A160 (= A163), K182 (= K185), R230 (= R233), H264 (= H267)
binding manganese (ii) ion: C57 (= C60), H264 (= H267), E297 (= E301), D316 (= D326)

5cksA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
54% identity, 96% coverage: 6:345/353 of query aligns to 3:334/339 of 5cksA

query
sites
5cksA

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N
|
N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D
|
D

P

M

I

I

T
|
T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K

S

G

G

N

N

P

G

Y

D

G

C

H

H

L

I

V

I

L

L

R

R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H

H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E

E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

-

D

-

P

-

E

-

K

-

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding beta-D-galactopyranose: E92 (= E95), N103 (= N108), D140 (= D145), T143 (= T148)

8e0sA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
54% identity, 96% coverage: 6:345/353 of query aligns to 1:331/336 of 8e0sA

query
sites
8e0sA

D

D

L

L

R

R

V

I

S

K

R

E

I

I

K

K

R

E

L

L

S

L

S

P

P

P

G

V

A

A

L

L

K

L

D

E

K

K

L

F

P

P

V

A

N

T

D

E

R

N

I

A

A

A

S

N

T

T

V

V

S

A

S

H

G

A

R

R

R

K

E

A

V

I

E

H

N

K

I

I

L

L

N

K

G

G

T

N

D

D

N

D

R

R

L

L

L

L

V

V

I

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

P

D

V

A

A

A

A

L

K

V

E

Y

Y

A

A

E

T

K

R

L

L

S

L

G

A

M

L

R

R

S

E

E

E

L

L

R

K

S

D

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

N

S

S

Y

F

D

Q

I

I

E

N

H

D

G

G

L

L

Y

R

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

D

I

I

N

N

A

D

L

S

G

G

L

L

P

P

A

A

A

A

T

G

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

M

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

S

G

T

T

D

D

G

G

R

T

I

I

N

K

V

V

A

A

V

I

D

D

A

A

I

I

R

N

S

A

A

A

M

G

H

A

P

P

H

H

S

C

F

F

L

L

G

S

I

V

D

T

R

K

E

W

G

G

H

H

S

S

S

A

V

I

I

V

T

N

T

T

K
x
S

G
|
G

N

N

P
x
G

Y

D

G

C

H

H

L

I

V

I

L

L

R

R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

S

A

A

Q

K

S

H

I

V

A

A

A

E

A

V

E

K

Q

E

L

G

L

L

E

N

K

K

A

A

G

G

L

L

S

P

Q

A

T

Q

L

V

L

M

V

I

D

D

C

F

S

S

H

H

A

A

N

N

S

S

G

S

K

K

K

Q

H

F

A

K

Q

K

Q

Q

L

M

K

D

V

V

W

C

E

A

N

D

I

V

L

C

E

Q

Q

Q

K

I

A

A

R

G

G

G

N

E

R

K

S

A

I

I

A

I

G

G

V

V

M

M

I

V

E

E

S

S

N

H

L

L

C

V

S

E

G

G

N

N

Q

Q

P

S

F

L

P

-

E

-

D

-

P

-

E

-

K

-

L

L

R

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

E

A

C

C

I

I

S

G

W

W

E

E

E

D

T

T

E

D

R

A

M

L

L

L

R

R

Q

Q

G

L

A

A

D

N

V

A

I

V

binding alpha-D-glucopyranose: S215 (≠ K223), G216 (= G224), G218 (≠ P226)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
51% identity, 98% coverage: 6:351/353 of query aligns to 4:344/345 of 4hsoA

query
sites
4hsoA

D

D

L

I

R

K

V

I

S

K

R

E

I

V

K

K

R

E

L

L

S

L

S

P

P

P

G

I

A

A

L

H

K

L

D

Y

K

E

L

L

P

P

V

I

N

S

D

K

R

E

I

A

A

S

S

G

T

L

V

V

S

H

S

R

G

T

R

R

R

Q

E

E

V

I

E

S

N

D

I

L

L

V

N

H

G

G

T

R

D

D

N

K

R

R

L

L

L

L

V

V

I

I

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

K

A

A

A

A

L

L

V

E

Y

Y

A

A

E

E

K

R

L

L

S

L

G

K

M

L

R

R

S

K

E

Q

L

Y

R

E

S

N

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

L

D

D

D

G

S

T

Y

F

D

D

I

I

E

N

H

F

G

G

L

L

Y

R

Y

Q

A

A

R

R

K

S

L

L

L

L

I

L

D

S

I

L

N

N

A

N

L

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q
|
Q

Y

Y

V

Y

A

A

D

D

V

L

V

I

S

S

W

W

A

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M
x
L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

N

I

L

N

K

V

I

A

A

V

I

D

D

A

A

I

I

R

G

S

A

A

A

M

S

H

H

P

S

H

H

S

H

F

F

L

L

G

G

I

V

D

T

R

K

E

A

G

G

H

H

S

S

S

A

V

I

I

V

T

H

T

T

K

G

G

G

N

N

P

P

Y

D

G

C

H

H

L

V

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

D

A

A

Q

E

S

H

I

V

A

S

A

E

A

A

E

A

Q

E

L

Q

L

L

E

R

K

A

A

A

G

G

L

V

S

T

Q

D

T

K

L

L

L

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

K

D

H

Y

A

T

Q

R

Q

Q

L

M

K

E

V

V

W

A

E

Q

N

D

I

I

L

A

E

A

Q

Q

K

L

A

E

R

Q

G

D

N

G

R

G

S

N

I

I

A

M

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

R

Q

Q

P

D

F

K

P

P

E

E

D

-

P

-

E

-

K

-

L

-

R

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

G

E

A

T

T

E

E

R

E

M

L

L

L

R

A

Q

L

G

L

A

A

D

G

V

A

I

N

A

K

K

K

L

R

M

M

S

A

K

R

binding manganese (ii) ion: C58 (= C60), H265 (= H267), E299 (= E301), D319 (= D326)
binding phosphoenolpyruvate: R89 (= R91), A161 (= A163), R162 (= R164), K183 (= K185), R231 (= R233), H265 (= H267)
binding tyrosine: Q148 (= Q150), L172 (≠ M174), L176 (= L178), S177 (= S179)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
51% identity, 98% coverage: 6:351/353 of query aligns to 6:346/346 of 5dcdA

query
sites
5dcdA

D

D

L

I

R

K

V

I

S

K

R

E

I

V

K

K

R

E

L

L

S

L

S

P

P

P

G

I

A

A

L

H

K

L

D

Y

K

E

L

L

P

P

V

I

N

S

D

K

R

E

I

A

A

S

S

G

T

L

V

V

S

H

S

R

G

T

R

R

R

Q

E

E

V

I

E

S

N

D

I

L

L

V

N

H

G

G

T

R

D

D

N

K

R

R

L

L

L

L

V

V

I

I

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

K

A

A

A

A

L

L

V

E

Y

Y

A

A

E

E

K

R

L

L

S

L

G

K

M

L

R

R

S

K

E

Q

L

Y

R

E

S

N

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

L

D

D

D

G

S

T

Y

F

D

D

I

I

E

N

H

F

G

G

L

L

Y

R

Y

Q

A

A

R

R

K

S

L

L

L

L

I

L

D

S

I

L

N

N

A

N

L

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q
|
Q

Y

Y

V

Y

A
|
A

D

D

V

L

V

I

S

S

W

W

A

G

A

A

I

I

G

G

A
|
A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

N

I

L

N

K

V

I

A

A

V

I

D

D

A

A

I

I

R

G

S

A

A

A

M

S

H

H

P

S

H

H

S

H

F

F

L

L

G
x
S

I

V

D

T

R

K

E

A

G

G

H

H

S

S

S

A

V

I

I
x
V

T

H

T

T

K

G

G

G

N

N

P

P

Y

D

G

C

H

H

L

V

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

D

A

A

Q

E

S

H

I

V

A

S

A

E

A

A

E

A

Q

E

L

Q

L

L

E

R

K

A

A

A

G

G

L

V

S

T

Q

D

T

K

L

L

L

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

K

D

H

Y

A

T

Q

R

Q

Q

L

M

K

E

V

V

W

A

E

Q

N

D

I

I

L

A

E

A

Q

Q

K

L

A

E

R

Q

G

D

N

G

R

G

S

N

I

I

A

M

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

R

Q

Q

P

D

F

K

P

P

E

E

D

-

P

-

E

-

K

-

L

-

R

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

G

E

A

T

T

E

E

R

E

M

L

L

L

R

A

Q

L

G

L

A

A

D

G

V

A

I

N

A

K

K

K

L

R

M

M

S

A

K

R

binding manganese (ii) ion: C60 (= C60), H267 (= H267), E301 (= E301), D321 (= D326)
binding trimethylamine oxide: A163 (= A163), K185 (= K185), R233 (= R233), H267 (= H267)
binding tyrosine: Q150 (= Q150), A153 (= A153), L178 (= L178), S179 (= S179), S210 (≠ G210), V220 (≠ I220)

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
51% identity, 98% coverage: 6:351/353 of query aligns to 8:348/348 of 5dcbC

query
sites
5dcbC

D

D

L

I

R

K

V

I

S

K

R

E

I

V

K

K

R

E

L

L

S

L

S

P

P

P

G

I

A

A

L

H

K

L

D

Y

K

E

L

L

P

P

V

I

N

S

D

K

R

E

I

A

A

S

S

G

T

L

V

V

S

H

S

R

G

T

R

R

R

Q

E

E

V

I

E

S

N

D

I

L

L

V

N

H

G

G

T

R

D

D

N

K

R

R

L

L

L

L

V

V

I

I

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

K

A

A

A

A

L

L

V

E

Y

Y

A

A

E

E

K

R

L

L

S

L

G

K

M

L

R

R

S

K

E

Q

L

Y

R

E

S

N

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

L

D

D

D

G

S

T

Y

F

D

D

I

I

E

N

H

F

G

G

L

L

Y

R

Y

Q

A

A

R

R

K

S

L

L

L

L

I

L

D

S

I

L

N

N

A

N

L

M

G

G

L

M

P

P

A

A

A

S

T

T

E
|
E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q
|
Q

Y

Y

V

Y

A
|
A

D

D

V

L

V

I

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

N

I

L

N

K

V

I

A

A

V

I

D

D

A

A

I

I

R

G

S

A

A

A

M

S

H

H

P

S

H

H

S

H

F
|
F

L

L

G
x
S

I

V

D

T

R

K

E

A

G

G

H

H

S

S

S

A

V

I

I
x
V

T

H

T

T

K

G

G

G

N

N

P

P

Y

D

G

C

H

H

L

V

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

D

A

A

Q

E

S

H

I

V

A

S

A

E

A

A

E

A

Q

E

L

Q

L

L

E

R

K

A

A

A

G

G

L

V

S

T

Q

D

T

K

L

L

L

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

K

D

H

Y

A

T

Q

R

Q

Q

L

M

K

E

V

V

W

A

E

Q

N

D

I

I

L

A

E

A

Q

Q

K

L

A

E

R

Q

G

D

N

G

R

G

S

N

I

I

A

M

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

R

Q

Q

P

D

F

K

P

P

E

E

D

-

P

-

E

-

K

-

L

-

R

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

G

E

A

T

T

E

E

R

E

M

L

L

L

R

A

Q

L

G

L

A

A

D

G

V

A

I

N

A

K

K

K

L

R

M

M

S

A

K

R

binding manganese (ii) ion: C62 (= C60), K98 (= K96), H269 (= H267), E303 (= E301), D323 (= D326)
binding phosphoenolpyruvate: R93 (= R91), Y95 (= Y93), E144 (= E142), K187 (= K185), R235 (= R233), H269 (= H267)
binding phenylalanine: Q152 (= Q150), A155 (= A153), L180 (= L178), S181 (= S179), F210 (= F208), S212 (≠ G210), V222 (≠ I220)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
51% identity, 98% coverage: 6:351/353 of query aligns to 4:344/344 of 5dceA

query
sites
5dceA

D

D

L

I

R

K

V

I

S

K

R

E

I

V

K

K

R

E

L

L

S

L

S

P

P

P

G

I

A

A

L

H

K

L

D

Y

K

E

L

L

P

P

V

I

N

S

D

K

R

E

I

A

A

S

S

G

T

L

V

V

S

H

S

R

G

T

R

R

R

Q

E

E

V

I

E

S

N

D

I

L

L

V

N

H

G

G

T

R

D

D

N

K

R

R

L

L

L

L

V

V

I

I

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

K

A

A

A

A

L

L

V

E

Y

Y

A

A

E

E

K

R

L

L

S

L

G

K

M

L

R

R

S

K

E

Q

L

Y

R

E

S

N

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

L

D

D

D

G

S

T

Y

F

D

D

I

I

E

N

H

F

G

G

L

L

Y

R

Y

Q

A

A

R

R

K

S

L

L

L

L

I

L

D

S

I

L

N

N

A

N

L

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q
|
Q

Y

Y

V

Y

A

A

D

D

V

L

V

I

S

S

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L
|
L

S
|
S

M

C

P

P

V

V

G

G

F

F

K

K

N

N

S

G

T

T

D

D

G

G

R

N

I

L

N

K

V

I

A

A

V

I

D

D

A

A

I

I

R

G

S

A

A

A

M

S

H

H

P

S

H

H

S

H

F

F

L

L

G
x
S

I
x
V

D

T

R

K

E

A

G

G

H

H

S

S

S

A

V

I

I
x
V

T

H

T

T

K

G

G

G

N

N

P

P

Y

D

G

C

H

H

L

V

V

I

L

L

R

R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

D

A

A

Q

E

S

H

I

V

A

S

A

E

A

A

E

A

Q

E

L

Q

L

L

E

R

K

A

A

A

G

G

L

V

S

T

Q

D

T

K

L

L

L

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

K

D

H

Y

A

T

Q

R

Q

Q

L

M

K

E

V

V

W

A

E

Q

N

D

I

I

L

A

E

A

Q

Q

K

L

A

E

R

Q

G

D

N

G

R

G

S

N

I

I

A

M

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

R

Q

Q

P

D

F

K

P

P

E

E

D

-

P

-

E

-

K

-

L

-

R

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

G

E

A

T

T

E

E

R

E

M

L

L

L

R

A

Q

L

G

L

A

A

D

G

V

A

I

N

A

K

K

K

L

R

M

M

S

A

K

R

binding manganese (ii) ion: C58 (= C60), H265 (= H267), E299 (= E301), D319 (= D326)
binding tryptophan: Q148 (= Q150), L176 (= L178), S177 (= S179), S208 (≠ G210), V209 (≠ I211), V218 (≠ I220)

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)
52% identity, 96% coverage: 13:351/353 of query aligns to 1:334/335 of 4umbA

query
sites
4umbA

K

K

R

E

L

L

S

L

S

P

P

P

G

I

A

A

L

H

K

L

D

Y

K

E

L

L

P

P

V

I

N

S

D

K

R

E

I

A

A

S

S

G

T

L

V

V

S

H

S

R

G

T

R

R

R

Q

E

E

V

I

E

S

N

D

I

L

L

V

N

H

G

G

T

R

D

D

N

K

R

R

L

L

L

L

V

V

I

I

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

K

A

A

A

A

L

L

V

E

Y

Y

A

A

E

E

K

R

L

L

S

L

G

K

M

L

R

R

S

K

E

Q

L

Y

R

E

S

N

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

L

D

D

D

G

S

T

Y

F

D

D

I

I

E

N

H

F

G

G

L

L

Y

R

Y

Q

A

A

R

R

K

S

L

L

L

L

I

L

D

S

I

L

N

N

A

N

L

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

Y

A

A

D

D

V

L

V

I

S

S

W

W

A

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

N

I

L

N

K

V

I

A

A

V

I

D

D

A

A

I

I

R

G

S

A

A

A

M

S

H

H

P

S

H

H

S

H

F

F

L

L

G

S

I

V

D

T

R

K

E

A

G

G

H

H

S

S

S

A

V

I

I

V

T

H

T

T

K

G

G

G

N

N

P

P

Y

D

G

C

H

H

L

V

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

D

A

A

Q

E

S

H

I

V

A

S

A

E

A

A

E

A

Q

E

L

Q

L

L

E

R

K

A

A

A

G

G

L

V

S

T

Q

D

T

K

L

L

L

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

K

D

H

Y

A

T

Q

R

Q

Q

L

M

K

E

V

V

W

A

E

Q

N

D

I

I

L

A

E

A

Q

Q

K

L

A

E

R

Q

G

D

N

G

R

G

S

N

I

I

A

M

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

R

Q

Q

P

D

F

K

P

P

E

E

D

-

P

-

E

-

K

-

L

-

R

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

G

E

A

T

T

E

E

R

E

M

L

L

L

R

A

Q

L

G

L

A

A

D

G

V

A

I

N

A

K

K

K

L

R

M

M

S

A

K

R

binding (2R)-2-(phosphonooxy)propanoic acid: R79 (= R91), K84 (= K96), A151 (= A163), R152 (= R164), K173 (= K185), R221 (= R233), H255 (= H267)
binding manganese (ii) ion: C48 (= C60), H255 (= H267), E289 (= E301), D309 (= 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)
52% identity, 96% coverage: 13:351/353 of query aligns to 1:334/334 of 4umcA

query
sites
4umcA

K

K

R

E

L

L

S

L

S

P

P

P

G

I

A

A

L

H

K

L

D

Y

K

E

L

L

P

P

V

I

N

S

D

K

R

E

I

A

A

S

S

G

T

L

V

V

S

H

S

R

G

T

R

R

R

Q

E

E

V

I

E

S

N

D

I

L

L

V

N

H

G

G

T

R

D

D

N

K

R

R

L

L

L

L

V

V

I

I

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

K

A

A

A

A

L

L

V

E

Y

Y

A

A

E

E

K

R

L

L

S

L

G

K

M

L

R

R

S

K

E

Q

L

Y

R

E

S

N

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

L

D

D

D

G

S

T

Y

F

D

D

I

I

E

N

H

F

G

G

L

L

Y

R

Y

Q

A

A

R

R

K

S

L

L

L

L

I

L

D

S

I

L

N

N

A

N

L

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

Y

A

A

D

D

V

L

V

I

S

S

W

W

A

G

A

A

I

I

G
|
G

A

A

R
|
R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

N

I

L

N

K

V

I

A

A

V

I

D

D

A

A

I

I

R

G

S

A

A

A

M

S

H

H

P

S

H

H

S

H

F

F

L

L

G

S

I

V

D

T

R

K

E

A

G

G

H

H

S

S

S

A

V

I

I

V

T

H

T

T

K

G

G

G

N

N

P

P

Y

D

G

C

H

H

L

V

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

D

A

A

Q

E

S

H

I

V

A

S

A

E

A

A

E

A

Q

E

L

Q

L

L

E

R

K

A

A

A

G

G

L

V

S

T

Q

D

T

K

L

L

L

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

K

D

H

Y

A

T

Q

R

Q

Q

L

M

K

E

V

V

W

A

E

Q

N

D

I

I

L

A

E

A

Q

Q

K

L

A

E

R

Q

G

D

N

G

R

G

S

N

I

I

A

M

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

R

Q

Q

P

D

F

K

P

P

E

E

D

-

P

-

E

-

K

-

L

-

R

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

G

E

A

T

T

E

E

R

E

M

L

L

L

R

A

Q

L

G

L

A

A

D

G

V

A

I

N

A

K

K

K

L

R

M

M

S

A

K

R

binding manganese (ii) ion: C48 (= C60), H255 (= H267), E289 (= E301), D309 (= D326)
binding l-phospholactate: R79 (= R91), K84 (= K96), G150 (= G162), R152 (= R164), K173 (= K185), R221 (= R233), H255 (= H267)

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)
52% identity, 93% coverage: 24:351/353 of query aligns to 11:333/333 of 4umaA

query
sites
4umaA

K

E

L

L

P

P

V

I

N

S

D

K

R

E

I

A

A

S

S

G

T

L

V

V

S

H

S

R

G

T

R

R

R

Q

E

E

V

I

E

S

N

D

I

L

L

V

N

H

G

G

T

R

D

D

N

K

R

R

L

L

L

L

V

V

I

I

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

K

A

A

A

A

L

L

V

E

Y

Y

A

A

E

E

K

R

L

L

S

L

G

K

M

L

R

R

S

K

E

Q

L

Y

R

E

S

N

E

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

F

L

I

I

N

N

D

D

P

P

H

H

L

L

D

D

D

G

S

T

Y

F

D

D

I

I

E

N

H

F

G

G

L

L

Y

R

Y

Q

A

A

R

R

K

S

L

L

L

L

I

L

D

S

I

L

N

N

A

N

L

M

G

G

L

M

P

P

A

A

A

S

T

T

E

E

F

F

L

L

D

D

P

M

I

I

T

T

P

P

Q

Q

Y

Y

V

Y

A

A

D

D

V

L

V

I

S

S

W

W

A

G

A

A

I

I

G
|
G

A
|
A

R
|
R

T

T

I

T

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

C

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

N

I

L

N

K

V

I

A

A

V

I

D

D

A

A

I

I

R

G

S

A

A

A

M

S

H

H

P

S

H

H

S

H

F

F

L

L

G

S

I

V

D

T

R

K

E

A

G

G

H

H

S

S

S

A

V

I

I

V

T

H

T

T

K

G

G

G

N

N

P

P

Y

D

G

C

H

H

L

V

V

I

L

L

R
|
R

G

G

G

G

M

K

T

E

P

P

N

N

Y

Y

D

D

A

A

Q

E

S

H

I

V

A

S

A

E

A

A

E

A

Q

E

L

Q

L

L

E

R

K

A

A

A

G

G

L

V

S

T

Q

D

T

K

L

L

L

M

V

I

D

D

C

C

S

S

H
|
H

A

A

N

N

S

S

G

R

K

K

K

D

H

Y

A

T

Q

R

Q

Q

L

M

K

E

V

V

W

A

E

Q

N

D

I

I

L

A

E

A

Q

Q

K

L

A

E

R

Q

G

D

N

G

R

G

S

N

I

I

A

M

G

G

V

V

M

M

I

V

E
|
E

S

S

N

H

L

L

C

V

S

E

G

G

N

R

Q

Q

P

D

F

K

P

P

E

E

D

-

P

-

E

-

K

-

L

-

R

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

E

A

C

C

I

I

S

G

W

W

E

G

E

A

T

T

E

E

R

E

M

L

L

L

R

A

Q

L

G

L

A

A

D

G

V

A

I

N

A

K

K

K

L

R

M

M

S

A

K

R

binding (e)-2-methyl-3-phosphonoacrylate: R78 (= R91), K83 (= K96), G149 (= G162), A150 (= A163), R151 (= R164), K172 (= K185), R220 (= R233), H254 (= H267)
binding manganese (ii) ion: C47 (= C60), H254 (= H267), E288 (= E301), D308 (= D326)

6agmA Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy- d-arabino-heptulosonate-7-phosphate synthase from escherichia coli (see paper)
48% identity, 96% coverage: 2:340/353 of query aligns to 1:321/334 of 6agmA

query
sites
6agmA

E

D

Q

A

L

L

H

N

D

N

L

V

R

H

V

I

S

T

R

D

I

E

K

Q

R

V

L

L

S

M

S

T

P

P

G

E

A

Q

L

L

K

K

D

A

K

A

L

F

P

P

V

L

N

S

D

L

R

Q

I

Q

A

E

S

A

T

Q

V

I

S

A

S

D

G

S

R

R

R

K

E

S

V

I

E

S

N

D

I

I

L

I

N

A

G

G

T

R

D

D

N

P

R

R

L

L

L

L

V

V

I

V

V

C

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

P

D

E

A

T

A

A

L

L

V

E

Y

Y

A

A

E

R

K

R

L

F

S

K

G

A

M

L

R

A

S

A

E

E

L

V

R

S

S

D

E

S

L

L

C

Y

I

L

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

F

L

I

I

N

N

D

D

P

P

H

H

L

M

D

D

D

G

S

S

Y

F

D

D

I

V

E

E

H

A

G

G

L

L

Y

Q

Y

I

A

A

R

R

K

K

L

L

L

L

I

L

D

E

I

L

N

V

A

N

L

M

G

G

L

L

P

P

A

L

A

A

T

T

E

E

F

A

L

L

D

D

P
|
P

I

N

T

S

P

P

Q
|
Q

Y

Y

V

L

A

G

D

D

V

L

V

F

S

S

W

W

A

S

A

A

I

I

G

G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

T

H

H

R

R

Q

E

M

M

A

A

S

S

G

G

L

L

S
|
S

M

M

P

P

V

V

G

G

F

F

K

K

N

N

S

G

T

T

D

D

G

G

R

S

I

L

N

A

V

T

A

A

V

I

D

N

A

A

I

M

R

R

S

A

A

A

M

A

H

Q

P

P

H

H

S

R

F
|
F

L

V

G

G

I
|
I

D

N

R

Q

E

A

G

G

H

Q

S

V

S

A

V

L

I
x
L

T

Q

T

T

K

Q

G

G

N

N

P

P

Y

D

G

G

H

H

L

V

V

I

L

L

R

R

G

G

G

G

M

K

T

A

P

P

N

N

Y

Y

D

S

A

P

Q

A

S

D

I

V

A

A

A

Q

A

C

E

E

Q

K

L

E

L

M

E

E

K

Q

A

A

G

G

L

L

S

R

Q

P

T

S

L

L

L

M

V

V

D

D

C

C

S

S

H

H

A

G

N

N

S

S

G

N

K

K

K

D

H

Y

A

R

Q

R

Q

Q

L

P

K

A

V

V

W

A

E

E

N

S

I

V

L

V

E

A

Q

Q

K

I

A

K

R

D

G

G

N

N

R

R

S

S

I

I

A

I

G

G

V

L

M

M

I

I

E

E

S

S

N

N

L

I

C

H

S

E

G

G

N

-

Q

-

P

-

F

-

P

-

E

-

D

-

P

-

E

-

K

-

L

-

R

-

Y

-

G

-

V

-

S

-

I

-

T

-

D

D

E

A

C

C

I

I

S

S

W

W

E

E

E

M

T

T

E

D

R

A

M

L

L

L

R

R

Q

E

binding tyrosine: P145 (= P146), Q149 (= Q150), S178 (= S179), F207 (= F208), I210 (= I211), L219 (≠ I220)

3tqkA Structure of phospho-2-dehydro-3-deoxyheptonate aldolase from francisella tularensis schu s4 (see paper)
49% identity, 95% coverage: 9:345/353 of query aligns to 2:336/341 of 3tqkA

query
sites
3tqkA

V

I

S

K

R

K

I

E

K

K

R

V

L

L

S

I

S

P

P

A

G

E

A

V

L

L

K

I

D

Q

K

D

L

I

P

P

V

L

N

L

D

K

R

T

I

S

A

F

S

E

T

T

V

V

S

R

S

K

G

S

R

R

R

K

E

E

V

I

E

A

N

N

I

I

L

I

N

H

G

G

T

N

D

D

N

D

R

R

L

V

L

A

V

V

I

V

V

V

G

G

P

P

C
|
C

S

S

I

I

H

H

N

D

V

P

D

A

A

A

A

A

L

I

V

E

Y

Y

A

A

E

T

K

K

L

L

S

K

G

E

M

Q

R

V

S

K

E

K

L

F

R

H

S

K

E

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

F

F

I

I

N

N

D

D

P

P

H

D

L

L

D

D

D

N

S

S

Y

Y

D

N

I

I

E

N

H

K

G

G

L

L

Y

R

Y

L

A

A

R

R

K

N

L

L

L

L

I

S

D

D

I

L

N

T

A

N

L

M

G

G

L

L

P

P

A

C

A

A

T

T

E

E

F

F

L

L

D

D

P

V

I

I

T

T

P

P

Q

Q

Y

Y

V

F

A

A

D

E

V

L

V

I

S

T

W

W

A

G

A

A

I

I

G

G

A

A

R

R

T

T

I

V

E

E

S

S

Q

Q

T

V

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

A

P

S

V

I

G

G

F

F

K

K

N

N

S

A

T

T

D

N

G

G

R

D

I

V

N

Q

V

V

A

A

V

V

D

D

A

A

I

V

R

K

S

S

A

A

M

T

H

Y

P

P

H

H

S

H

F

F

L

L

G

S

I

T

D

T

R

K

E

S

G

G

H

S

S

T

S

A

V

I

I

F

T

A

T

T

K

K

G

G

N

N

P

Q

Y

N

G

G

H

H

L

V

V

I

L

L

R

R

G

G

G

G

M

A

T

S

-

G

P

P

N

N

Y

F

D

S

A

K

Q

E

S

H

I

V

A

D

A

D

A

C

E

I

Q

A

L

K

L

L

E

K

K

K

A

A

G

D

L

I

S

N

Q

T

T

K

L

V

L

M

V

I

D

D

C

C

S

S

H
|
H

A

G

N

N

S

S

G

Q

K

K

K

D

H

H

A

S

Q

K

Q

Q

L

I

K

S

V

V

W

L

E

A

N

D

I

I

L

C

E

E

Q

Q

K

I

A

K

R

H

G

S

N

N

R

-

S

D

I

I

A

F

G

G

V

V

M

M

I

I

E
|
E

S

S

N

N

L

L

C

V

S

A

G

G

N

N

Q

Q

P

D

F

I

P

N

E

K

D

K

P

P

E

-

K

-

L

L

R

T

Y

Y

G

G

V

Q

S

S

I

V

T

T

D
|
D

E

K

C

C

I

V

S

D

W

F

E

E

E

E

T

T

E

V

R

K

M

M

L

L

R

E

Q

M

G

L

A

A

D

E

V

A

I

V

binding manganese (ii) ion: C53 (= C60), H261 (= H267), E294 (= E301), 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)
50% identity, 96% coverage: 6:345/353 of query aligns to 1:336/344 of 1ofoA

query
sites
1ofoA

D

D

L

V

R

R

V

I

S

L

R

G

I

Y

K

D

R

P

L

L

S

A

S

S

P

P

G

A

A

L

L

L

K

Q

D

V

K

Q

L

I

P

P

V

A

N

T

D

P

R

T

I

S

A

L

S

E

T

T

V

A

S

K

S

R

G

G

R

R

R

R

E

E

V

A

E

I

N

D

I

I

L

I

N

T

G

G

T

K

D

D

N

D

R

R

L

V

L

L

V

V

I

I

V

V

G

G

P

P

C

C

S

S

I

I

H

H

N

D

V

L

D

E

A

A

A

A

L

Q

V

E

Y

Y

A

A

E

L

K

R

L

L

S

K

G

K

M

L

R

S

S

D

E

E

L

L

R

K

S

G

E

D

L

L

C

S

I

I

L

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

F

L

I

I

N

N

D

D

P

P

H

D

L

V

D

N

D

N

S

T

Y

F

D

N

I

I

E

N

H

K

G

G

L

L

Y

Q

Y

S

A

A

R

R

K

Q

L

L

L

F

I

V

D

N

I

L

N

T

A

N

L

I

G

G

L

L

P

P

A

I

A

G

T

S

E

E

F

M

L

L

D

D

P

T

I

I

T

S

P

P

Q

Q

Y

Y

V

L

A

A

D

D

V

L

V

V

S

S

W

F

A

G

A

A

I

I

G
|
G

A

A

R

R

T

T

I

T

E

E

S

S

Q

Q

T

L

H

H

R

R

Q

E

M

L

A

A

S

S

G

G

L

L

S

S

M

F

P

P

V

V

G

G

F

F

K
|
K

N

N

S

G

T

T

D

D

G

G

R

T

I

L

N

N

V

V

A

A

V

V

D

D

A

A

I

C

R

Q

S

A

A

A

M

A

H

H

P

S

H

H

S

H

F

F

L

M

G

G

I

V

D

T

R

K

E

H

G

G

H

V

S

A

S

A

V

I

I

T

T

T

T

T

K

K

G

G

N

N

P

E

Y

H

G

C

H

F

L

V

V

I

L

L

R
|
R

G

G

G

G

M

K

T

K

-

G

P

T

N

N

Y

Y

D

D

A

A

Q

K

S

S

I

V

A

A

A

E

A

A

E

K

Q

A

L

Q

L

L

E

P

K

A

A

G

G

-

L

-

S

S

Q

N

T

G

L

L

L

M

V

I

D

D

C

Y

S

S

H
|
H

A

G

N

N

S

S

G

N

K

K

K

D

H

F

A

R

Q

N

Q

Q

L

P

K

K

V

V

W

N

E

D

N

V

I

V

L

C

E

E

Q

Q

K

I

A

A

R

N

G

G

N

E

R

N

S

A

I

I

A

T

G

G

V

V

M

M

I

I

E

E

S

S

N

N

L

I

C

N

S

E

G

G

N

N

Q

Q

P

G

F

I

P

P

E

A

D

G

P

-

E

-

K

-

L

L

R

K

Y

Y

G

G

V

V

S

S

I

I

T

T

D

D

E

A

C

C

I

I

S

G

W

W

E

E

E

T

T

T

E

E

R

D

M

V

L

L

R

R

Q

K

G

L

A

A

D

A

V

A

I

V

binding 2-phosphoglycolic acid: R86 (= R91), G157 (= G162), K180 (= K185), R228 (= R233), H261 (= H267)

Query Sequence

>WP_012465923.1 NCBI__GCF_000020465.1:WP_012465923.1
MEQLHDLRVSRIKRLSSPGALKDKLPVNDRIASTVSSGRREVENILNGTDNRLLVIVGPC
SIHNVDAALVYAEKLSGMRSELRSELCILMRVYFEKPRTTVGWKGFINDPHLDDSYDIEH
GLYYARKLLIDINALGLPAATEFLDPITPQYVADVVSWAAIGARTIESQTHRQMASGLSM
PVGFKNSTDGRINVAVDAIRSAMHPHSFLGIDREGHSSVITTKGNPYGHLVLRGGMTPNY
DAQSIAAAEQLLEKAGLSQTLLVDCSHANSGKKHAQQLKVWENILEQKARGNRSIAGVMI
ESNLCSGNQPFPEDPEKLRYGVSITDECISWEETERMLRQGADVIAKLMSKEA

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