SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011938638.1 NCBI__GCF_000016745.1:WP_011938638.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

6agmA Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy- d-arabino-heptulosonate-7-phosphate synthase from escherichia coli (see paper)
55% identity, 96% coverage: 5:345/354 of query aligns to 4:326/334 of 6agmA

query
sites
6agmA

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binding tyrosine: P145 (= P146), Q149 (≠ E150), S178 (= S179), F207 (= F208), I210 (= I211), L219 (≠ V220)

1gg1A Crystal structure analysis of dahp synthase in complex with mn2+ and 2-phosphoglycolate (see paper)
55% identity, 97% coverage: 6:347/354 of query aligns to 1:337/339 of 1gg1A

query
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1gg1A

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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)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
54% identity, 95% coverage: 4:338/354 of query aligns to 2:331/345 of 4hsoA

query
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4hsoA

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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 (≠ E150), L172 (= L174), L176 (= L178), S177 (= S179)

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)
54% identity, 97% coverage: 3:347/354 of query aligns to 4:347/350 of 1kflA

query
sites
1kflA

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L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

S

M

L

P

E

K

S

D

G

I

-

S

E

Q

P

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

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 (≠ E150), A154 (= A153), L179 (= L178), S180 (= S179), F209 (= F208), S211 (≠ G210), V221 (= V220)

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)
54% identity, 97% coverage: 3:347/354 of query aligns to 4:347/350 of P0AB91

query
sites
P0AB91

K

Q

T

N

N

D

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L

K

E

E

Y

Y

A

A

E

T

R

R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E

D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F

F

L

L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T

S

G

G

N

N

P

G

D

D

V

C

H

H

M

I

V

I

L

L

R

R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E
x
K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E

E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

S

M

L

P

E

K

S

D

G

I

-

S

E

Q

P

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

K244 (≠ E243) modified: N6-acetyllysine

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
54% identity, 95% coverage: 4:338/354 of query aligns to 6:335/348 of 5dcbC

query
sites
5dcbC

T

T

N

D

L

I

K

K

I

I

K

K

S

E

I

V

T

K

P

E

I

L

A

P

P

P

T

I

D

A

L

H

R

L

Q

Y

V

E

F

L

P

P

I

I

S

S

A

K

E

E

A

A

S

S

E

G

C

L

V

V

S

H

A

R

S

T

R

R

E

Q

N

E

I

I

K

S

N

D

I

L

L

V

K

H

G

G

K

R

D

D

P

K

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

K

G

A

A

A

L

L

E

E

Y

Y

A

A

E

E

R

R

L

L

A

L

R

K

L

L

S

R

K

K

E

Q

V

Y

S

E

D

N

Q

E

L

L

L

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

L

N

D

G

G

T

T

H

F

L

D

I

I

S

N

K

F

G

G

L

L

G

R

I

Q

A

A

R

R

R

S

L

L

S

L

E

S

I

L

T

N

A

N

M

M

K

G

L

M

P

P

I

A

A

S

T

T

E
|
E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E
x
Q

Y

Y

L

Y

A
|
A

D

D

H

L

L

I

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

L

L

Q

K

I

I

A

A

I

I

D

D

A

A

M

I

I

G

A

A

Q

S

H

H

S

S

H

H

S

H

F
|
F

L

L

G
x
S

I

V

N

T

R

K

E

A

G

G

L

H

T

S

S

A

I

I

V
|
V

Q

H

T

T

T

G

G

G

N

N

P

P

D

D

V

C

H

H

M

V

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

D

P

A

E

E

D

H

I

V

A

S

L

E

T

A

E

A

E

E

K

Q

L

L

G

R

K

A

A

A

G

G

L

V

S

T

P

D

T

K

I

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

E

R

K

K

N

D

H

Y

E

T

K

R

Q

Q

P

M

L

E

V

V

L

A

E

Q

N

D

V

I

I

A

E

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

R

G

S

N

I

I

S

M

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

R

Q

Q

P

D

M

K

P

P

K

E

D

-

I

-

S

-

Q

-

L

-

K

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

A

E

I

L

M

L

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 (≠ E150), A155 (= A153), L180 (= L178), S181 (= S179), F210 (= F208), S212 (≠ G210), V222 (= V220)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
54% identity, 95% coverage: 4:338/354 of query aligns to 2:331/344 of 5dceA

query
sites
5dceA

T

T

N

D

L

I

K

K

I

I

K

K

S

E

I

V

T

K

P

E

I

L

A

P

P

P

T

I

D

A

L

H

R

L

Q

Y

V

E

F

L

P

P

I

I

S

S

A

K

E

E

A

A

S

S

E

G

C

L

V

V

S

H

A

R

S

T

R

R

E

Q

N

E

I

I

K

S

N

D

I

L

L

V

K

H

G

G

K

R

D

D

P

K

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

K

G

A

A

A

L

L

E

E

Y

Y

A

A

E

E

R

R

L

L

A

L

R

K

L

L

S

R

K

K

E

Q

V

Y

S

E

D

N

Q

E

L

L

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

L

N

D

G

G

T

T

H

F

L

D

I

I

S

N

K

F

G

G

L

L

G

R

I

Q

A

A

R

R

R

S

L

L

S

L

E

S

I

L

T

N

A

N

M

M

K

G

L

M

P

P

I

A

A

S

T

T

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E
x
Q

Y

Y

L

Y

A

A

D

D

H

L

L

I

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

F

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

N

L

L

Q

K

I

I

A

A

I

I

D

D

A

A

M

I

I

G

A

A

Q

S

H

H

S

S

H

H

S

H

F

F

L

L

G
x
S

I
x
V

N

T

R

K

E

A

G

G

L

H

T

S

S

A

I

I

V
|
V

Q

H

T

T

T

G

G

G

N

N

P

P

D

D

V

C

H

H

M

V

V

I

L

L

R

R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

D

P

A

E

E

D

H

I

V

A

S

L

E

T

A

E

A

E

E

K

Q

L

L

G

R

K

A

A

A

G

G

L

V

S

T

P

D

T

K

I

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

E

R

K

K

N

D

H

Y

E

T

K

R

Q

Q

P

M

L

E

V

V

L

A

E

Q

N

D

V

I

I

A

E

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

R

G

S

N

I

I

S

M

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

R

Q

Q

P

D

M

K

P

P

K

E

D

-

I

-

S

-

Q

-

L

-

K

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

A

E

I

L

M

L

binding manganese (ii) ion: C58 (= C60), H265 (= H267), E299 (= E301), D319 (= D326)
binding tryptophan: Q148 (≠ E150), L176 (= L178), S177 (= S179), S208 (≠ G210), V209 (≠ I211), V218 (= V220)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
54% identity, 95% coverage: 4:338/354 of query aligns to 4:333/346 of 5dcdA

query
sites
5dcdA

T

T

N

D

L

I

K

K

I

I

K

K

S

E

I

V

T

K

P

E

I

L

A

P

P

P

T

I

D

A

L

H

R

L

Q

Y

V

E

F

L

P

P

I

I

S

S

A

K

E

E

A

A

S

S

E

G

C

L

V

V

S

H

A

R

S

T

R

R

E

Q

N

E

I

I

K

S

N

D

I

L

L

V

K

H

G

G

K

R

D

D

P

K

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

K

G

A

A

A

L

L

E

E

Y

Y

A

A

E

E

R

R

L

L

A

L

R

K

L

L

S

R

K

K

E

Q

V

Y

S

E

D

N

Q

E

L

L

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

L

N

D

G

G

T

T

H

F

L

D

I

I

S

N

K

F

G

G

L

L

G

R

I

Q

A

A

R

R

R

S

L

L

S

L

E

S

I

L

T

N

A

N

M

M

K

G

L

M

P

P

I

A

A

S

T

T

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E
x
Q

Y

Y

L

Y

A
|
A

D

D

H

L

L

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L
|
L

S
|
S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

L

L

Q

K

I

I

A

A

I

I

D

D

A

A

M

I

I

G

A

A

Q

S

H

H

S

S

H

H

S

H

F

F

L

L

G
x
S

I

V

N

T

R

K

E

A

G

G

L

H

T

S

S

A

I

I

V
|
V

Q

H

T

T

T

G

G

G

N

N

P

P

D

D

V

C

H

H

M

V

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

D

P

A

E

E

D

H

I

V

A

S

L

E

T

A

E

A

E

E

K

Q

L

L

G

R

K

A

A

A

G

G

L

V

S

T

P

D

T

K

I

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

E

R

K

K

N

D

H

Y

E

T

K

R

Q

Q

P

M

L

E

V

V

L

A

E

Q

N

D

V

I

I

A

E

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

R

G

S

N

I

I

S

M

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

R

Q

Q

P

D

M

K

P

P

K

E

D

-

I

-

S

-

Q

-

L

-

K

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

A

E

I

L

M

L

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 (≠ E150), A153 (= A153), L178 (= L178), S179 (= S179), S210 (≠ G210), V220 (= V220)

5cksB Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
54% identity, 97% coverage: 5:347/354 of query aligns to 1:342/345 of 5cksB

query
sites
5cksB

N

D

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L
x
K

E

E

Y

Y

A

A

E

T

R

R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K
|
K

P
|
P

R
|
R

T
|
T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E
x
D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q
|
Q

T

V

H

H

R

R

E
|
E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F
|
F

L
|
L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T

S

G

G

N

N

P

G

D

D

V

C

H

H

M

I

V

I

L

L

R

R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E

K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E

E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

S

M

L

P

E

K

S

D

G

I

-

S

E

Q

P

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

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 (≠ E131), Q165 (= Q169), E169 (= E173), F204 (= F208), L205 (= L209)

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: 7:347/354 of query aligns to 1:335/338 of 1qr7A

query
sites
1qr7A

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L

K

E

E

Y

Y

A

A

E

T

R

R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E

D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F

F

L

L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T

S

G

G

N

N

P

G

D

D

V

C

H

H

M

I

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E

K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

-

M

-

P

-

K

-

D

-

I

-

S

S

Q

L

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

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)

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
54% identity, 97% coverage: 6:347/354 of query aligns to 1:341/343 of 8e0sD

query
sites
8e0sD

N

D

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L

K

E
|
E

Y

Y

A

A

E

T

R
|
R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E

D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F

F

L

L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T

S

G

G

N

N

P

G

D

D

V

C

H

H

M

I

V

I

L

L

R

R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E

K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E

E

S

S

Y

H

L
|
L

E

V

G

E

G

G

N

N

Q

Q

P

S

M

L

P

E

K

S

D

G

I

-

S

E

Q

P

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

binding beta-D-glucopyranose: E65 (= E70), R69 (= R74), L299 (= L304)

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
54% identity, 97% coverage: 6:347/354 of query aligns to 1:341/343 of 7rudB

query
sites
7rudB

N

D

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L

K

E

E

Y

Y

A

A

E

T

R

R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E

D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E
|
E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F

F

L

L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T

S

G

G

N

N

P

G

D

D

V

C

H

H

M

I

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E

K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E

E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

S

M

L

P

E

K

S

D

G

I

-

S

E

Q

P

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

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

7rueA Dahp synthase complexed with trifluoropyruvate semicarbazone (see paper)
54% identity, 97% coverage: 4:347/354 of query aligns to 1:337/339 of 7rueA

query
sites
7rueA

T

N

N

D

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L

K

E

E

Y

Y

A

A

E

T

R

R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R
|
R

V

V

Y
|
Y

F

F

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E

D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F

F

L

L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T

S

G

G

N

N

P

G

D

D

V

C

H

H

M

I

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E

K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

E

S

K

Q

N

-

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

-

M

-

P

-

K

-

D

-

I

-

S

S

Q

L

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

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)

4umcA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water (see paper)
56% identity, 89% coverage: 25:338/354 of query aligns to 13:321/334 of 4umcA

query
sites
4umcA

F

L

P

P

I

I

S

S

A

K

E

E

A

A

S

S

E

G

C

L

V

V

S

H

A

R

S

T

R

R

E

Q

N

E

I

I

K

S

N

D

I

L

L

V

K

H

G

G

K

R

D

D

P

K

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

K

G

A

A

A

L

L

E

E

Y

Y

A

A

E

E

R

R

L

L

A

L

R

K

L

L

S

R

K

K

E

Q

V

Y

S

E

D

N

Q

E

L

L

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

L

N

D

G

G

T

T

H

F

L

D

I

I

S

N

K

F

G

G

L

L

G

R

I

Q

A

A

R

R

R

S

L

L

S

L

E

S

I

L

T

N

A

N

M

M

K

G

L

M

P

P

I

A

A

S

T

T

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

Y

A

A

D

D

H

L

L

I

S

S

W

W

G

G

A

A

I

I

G
|
G

A

A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

L

L

Q

K

I

I

A

A

I

I

D

D

A

A

M

I

I

G

A

A

Q

S

H

H

S

S

H

H

S

H

F

F

L

L

G

S

I

V

N

T

R

K

E

A

G

G

L

H

T

S

S

A

I

I

V

V

Q

H

T

T

T

G

G

G

N

N

P

P

D

D

V

C

H

H

M

V

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

D

P

A

E

E

D

H

I

V

A

S

L

E

T

A

E

A

E

E

K

Q

L

L

G

R

K

A

A

A

G

G

L

V

S

T

P

D

T

K

I

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

E

R

K

K

N

D

H

Y

E

T

K

R

Q

Q

P

M

L

E

V

V

L

A

E

Q

N

D

V

I

I

A

E

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

R

G

S

N

I

I

S

M

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

R

Q

Q

P

D

M

K

P

P

K

E

D

-

I

-

S

-

Q

-

L

-

K

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

A

E

I

L

M

L

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)
56% identity, 89% coverage: 25:338/354 of query aligns to 12:320/333 of 4umaA

query
sites
4umaA

F

L

P

P

I

I

S

S

A

K

E

E

A

A

S

S

E

G

C

L

V

V

S

H

A

R

S

T

R

R

E

Q

N

E

I

I

K

S

N

D

I

L

L

V

K

H

G

G

K

R

D

D

P

K

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

K

G

A

A

A

L

L

E

E

Y

Y

A

A

E

E

R

R

L

L

A

L

R

K

L

L

S

R

K

K

E

Q

V

Y

S

E

D

N

Q

E

L

L

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

L

N

D

G

G

T

T

H

F

L

D

I

I

S

N

K

F

G

G

L

L

G

R

I

Q

A

A

R

R

R

S

L

L

S

L

E

S

I

L

T

N

A

N

M

M

K

G

L

M

P

P

I

A

A

S

T

T

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

Y

A

A

D

D

H

L

L

I

S

S

W

W

G

G

A

A

I

I

G
|
G

A
|
A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

L

L

Q

K

I

I

A

A

I

I

D

D

A

A

M

I

I

G

A

A

Q

S

H

H

S

S

H

H

S

H

F

F

L

L

G

S

I

V

N

T

R

K

E

A

G

G

L

H

T

S

S

A

I

I

V

V

Q

H

T

T

T

G

G

G

N

N

P

P

D

D

V

C

H

H

M

V

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

D

P

A

E

E

D

H

I

V

A

S

L

E

T

A

E

A

E

E

K

Q

L

L

G

R

K

A

A

A

G

G

L

V

S

T

P

D

T

K

I

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

E

R

K

K

N

D

H

Y

E

T

K

R

Q

Q

P

M

L

E

V

V

L

A

E

Q

N

D

V

I

I

A

E

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

R

G

S

N

I

I

S

M

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

R

Q

Q

P

D

M

K

P

P

K

E

D

-

I

-

S

-

Q

-

L

-

K

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

A

E

I

L

M

L

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)

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)
56% identity, 89% coverage: 25:338/354 of query aligns to 13:321/335 of 4umbA

query
sites
4umbA

F

L

P

P

I

I

S

S

A

K

E

E

A

A

S

S

E

G

C

L

V

V

S

H

A

R

S

T

R

R

E

Q

N

E

I

I

K

S

N

D

I

L

L

V

K

H

G

G

K

R

D

D

P

K

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

P

K

K

G

A

A

A

L

L

E

E

Y

Y

A

A

E

E

R

R

L

L

A

L

R

K

L

L

S

R

K

K

E

Q

V

Y

S

E

D

N

Q

E

L

L

L

I

V

V

M

M

R
|
R

V

V

Y

Y

F

F

E

E

K
|
K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

L

N

D

G

G

T

T

H

F

L

D

I

I

S

N

K

F

G

G

L

L

G

R

I

Q

A

A

R

R

R

S

L

L

S

L

E

S

I

L

T

N

A

N

M

M

K

G

L

M

P

P

I

A

A

S

T

T

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

Y

A

A

D

D

H

L

L

I

S

S

W

W

G

G

A

A

I

I

G

G

A
|
A

R
|
R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

N

L

L

Q

K

I

I

A

A

I

I

D

D

A

A

M

I

I

G

A

A

Q

S

H

H

S

S

H

H

S

H

F

F

L

L

G

S

I

V

N

T

R

K

E

A

G

G

L

H

T

S

S

A

I

I

V

V

Q

H

T

T

T

G

G

G

N

N

P

P

D

D

V

C

H

H

M

V

V

I

L

L

R
|
R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

D

P

A

E

E

D

H

I

V

A

S

L

E

T

A

E

A

E

E

K

Q

L

L

G

R

K

A

A

A

G

G

L

V

S

T

P

D

T

K

I

L

M

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

E

R

K

K

N

D

H

Y

E

T

K

R

Q

Q

P

M

L

E

V

V

L

A

E

Q

N

D

V

I

I

A

E

A

Q

Q

I

L

A

E

A

Q

G

D

N

G

R

G

S

N

I

I

S

M

S

G

V

V

M

M

I

V

E
|
E

S

S

Y

H

L

L

E

V

G

E

G

G

N

R

Q

Q

P

D

M

K

P

P

K

E

D

-

I

-

S

-

Q

-

L

-

K

V

Y

Y

G

G

V

K

S

S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

A

E

I

L

M

L

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)

5cksA Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
54% identity, 97% coverage: 4:347/354 of query aligns to 1:336/339 of 5cksA

query
sites
5cksA

T

N

N

D

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L

K

E

E

Y

Y

A

A

E

T

R

R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E
|
E

K

K

P

P

R

R

T

T

T

-

V

-

G

G

W

W

K

K

G

G

L

L

I

I

N
|
N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E

D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E

E

M

F

L

L

D
|
D

P

M

I

I

T
|
T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F

F

L

L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T

S

G

G

N

N

P

G

D

D

V

C

H

H

M

I

V

I

L

L

R

R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E

K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E

E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

-

M

-

P

-

K

-

D

-

I

-

S

S

Q

L

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

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, 97% coverage: 6:347/354 of query aligns to 1:333/336 of 8e0sA

query
sites
8e0sA

N

D

L

L

K

R

I

I

K

K

S

E

I

I

T

K

P

E

I

L

A

P

P

P

T

V

D

A

L

L

R

L

Q

E

V

K

F

F

P

P

I

A

S

T

A

E

E

N

A

A

S

A

E

N

C

T

V

V

S

A

A

H

S

A

R

R

E

K

N

A

I

I

K

H

N

K

I

I

L

L

K

K

G

G

K

N

D

D

P

D

R

R

L

L

M

L

V

V

V

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

P

K

V

G

A

A

A

L

K

E

E

Y

Y

A

A

E

T

R

R

L

L

A

L

R

A

L

L

S

R

K

E

E

E

V

L

S

K

D

D

Q

E

L

L

L

E

L

I

V

V

M

M

R

R

V

V

Y

Y

F

F

E

E

K

K

P

P

R

R

T

-

V

-

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

H

M

M

N

D

G

N

T

S

H

F

L

Q

I

I

S

N

K

D

G

G

L

L

G

R

I

I

A

A

R

R

R

K

L

L

S

L

E

D

I

I

T

N

A

D

M

S

K

G

L

L

P

P

I

A

A

A

T

G

E

E

M

F

L

L

D

D

P

M

I

I

T

T

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

M

S

S

W

W

G

G

A

A

I

I

G

G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

V

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

C

P

P

I

V

G

G

F

F

K

K

N

N

G

G

T

T

D

D

G

G

N

T

L

I

Q

K

I

V

A

A

I

I

D

D

A

A

M

I

I

N

A

A

Q

G

H

A

S

P

H

H

S

C

F

F

L

L

G

S

I

V

N

T

R

K

E

W

G

G

L

H

T

S

S

A

I

I

V

V

Q

N

T

T

T
x
S

G
|
G

N

N

P
x
G

D

D

V

C

H

H

M

I

V

I

L

L

R

R

G

G

K

K

K

E

P

P

N

N

Y

Y

Y

S

P

A

E

K

D

H

I

V

A

A

L

E

T

V

E

K

E

E

K

G

L

L

G

N

K

K

A

A

G

G

L

L

S

P

P

A

T

Q

I

V

M

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

E

S

K

K

N

Q

H

F

E

K

K

K

Q

Q

P

M

L

D

V

V

L

C

E

A

N

D

V

V

I

C

E

Q

Q

Q

I

I

A

A

A

G

G

G

N

E

R

K

S

A

I

I

S

I

S

G

V

V

M

M

I

V

E

E

S

S

Y

H

L

L

E

V

G

E

G

G

N

N

Q

Q

P

-

M

-

P

-

K

-

D

-

I

-

S

S

Q

L

L

L

K

A

Y

Y

G

G

V

K

S

S

I

I

T

T

D

D

K

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

A

A

I

L

M

L

R

R

K

Q

A

L

H

A

A

N

S

A

L

V

K

K

A

A

binding alpha-D-glucopyranose: S215 (≠ T223), G216 (= G224), G218 (≠ P226)

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, 96% coverage: 6:346/354 of query aligns to 1:337/344 of 1ofoA

query
sites
1ofoA

N

D

L

V

K

R

I

I

K

L

S

G

I

Y

T

D

P

P

I

L

I

A

A

S

P

P

T

A

D

L

L

L

R

Q

Q

V

V

Q

F

I

P

P

I

A

S

T

A

P

E

T

A

S

S

L

E

E

C

T

V

A

S

K

A

R

S

G

R

R

E

R

N

E

I

A

K

I

N

D

I

I

L

I

K

T

G

G

K

K

D

D

P

D

R

R

L

V

M

L

V

V

V

I

V

V

G

G

P

P

C

C

S

S

I

I

H

H

D

D

P

L

K

E

G

A

A

A

L

Q

E

E

Y

Y

A

A

E

L

R

R

L

L

A

K

R

K

L

L

S

S

K

D

E

E

V

L

S

K

D

G

Q

D

L

L

L

S

L

I

V

I

M

M

R
|
R

V

A

Y

Y

F

L

E

E

K

K

P

P

R

R

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

D

M

V

N

N

G

N

T

T

H

F

L

N

I

I

S

N

K

K

G

G

L

L

G

Q

I

S

A

A

R

R

R

Q

L

L

L

F

S

V

E

N

I

L

T

T

A

N

M

I

K

G

L

L

P

P

I

I

A

G

T

S

E

E

M

M

L

L

D

D

P

T

I

I

T

S

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

V

S

S

W

F

G

G

A

A

I

I

G
|
G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

L

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

F

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

L

L

Q

N

I

V

A

A

I

V

D

D

A

A

M

C

I

Q

A

A

Q

A

H

H

S

S

H

H

S

H

F

F

L

M

G

G

I

V

N

T

R

K

E

H

G

G

L

V

T

A

S

A

I

I

V

T

Q

T

T

T

T

K

G

G

N

N

P

E

D

H

V

C

H

F

M

V

V

I

L

L

R
|
R

G

G

K

K

-

G

P

T

N

N

Y

Y

Y

D

P

A

E

K

D

S

I

V

A

A

L

E

T

A

E

K

E

A

K

Q

L

L

G

-

K

P

A

A

G

G

L

-

S

S

P

N

T

G

I

L

M

M

V

I

D

D

C

Y

S

S

H
|
H

G

G

N

N

S

S

E

N

K

K

N

D

H

F

E

R

K

N

Q

Q

P

P

L

K

V

V

L

N

E

D

N

V

V

V

I

C

E

E

Q

Q

I

I

A

A

A

N

G

G

N

E

R

N

S

A

I

I

S

T

S

G

V

V

M

M

I

I

E

E

S

S

Y

N

L

I

E

N

G

E

G

G

N

N

Q

Q

P

G

M

I

P

P

K

-

D

-

I

-

S

A

Q

G

L

L

K

K

Y

Y

G

G

V

V

S

S

I

I

T

T

D

D

K

A

C

C

I

I

D

G

W

W

Q

E

T

T

E

E

A

D

I

V

M

L

R

R

K

K

A

L

H

A

A

A

S

A

L

V

K

R

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

1of8A Double complex of the tyrosine sensitive dahp synthase from s. Cerevisiae with co2+, pep and the e4p analogoue g3p (see paper)
52% identity, 96% coverage: 7:346/354 of query aligns to 1:333/339 of 1of8A

query
sites
1of8A

L

V

K

R

I

I

K

L

S

G

I

Y

T

D

P

P

I

L

I

A

A

S

P

P

T

A

D

L

L

L

R

Q

Q

V

V

Q

F

I

P

P

I

A

S

T

A

P

E

T

A

S

S

L

E

E

C

T

V

A

S

K

A

R

S

G

R

R

E

R

N

E

I

A

K

I

N

D

I

I

L

I

K

T

G

G

K

K

D

D

P

D

R

R

L

V

M

L

V

V

V

I

V

V

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

P

L

K

E

G

A

A

A

L

Q

E

E

Y

Y

A

A

E

L

R

R

L

L

A

K

R

K

L

L

S

S

K

D

E

E

V

L

S

K

D

G

Q

D

L

L

L

S

L

I

V

I

M

M

R
|
R

V

A

Y

Y

F

L

E

E

K

K

P
|
P

R
|
R

T
|
T

T

T

V

V

G

G

W

W

K

K

G

G

L

L

I

I

N

N

D

D

P

P

D

D

M

V

N

N

G

N

T

T

H

F

L

N

I

I

S

N

K

K

G

G

L

L

G

Q

I

S

A

A

R

R

R

Q

L

L

L

F

S

V

E

N

I

L

T

T

A

N

M

I

K

G

L

L

P

P

I

I

A

G

T

S

E

E

M

M

L

L

D

D

P

T

I

I

T

S

P

P

E

Q

Y

Y

L

L

A

A

D

D

H

L

L

V

S

S

W

F

G

G

A

A

I

I

G
|
G

A

A

R

R

T

T

E

E

S

S

Q

Q

T

L

H

H

R

R

E

E

L

L

A

A

S

S

G

G

L

L

S

S

F

F

P

P

I

V

G

G

F

F

K
|
K

N

N

G

G

T

T

D

D

G

G

N

T

L

L

Q

N

I

V

A

A

I

V

D

D

A

A

M

C

I

Q

A

A

Q

A

H

H

S

S

H

H

S

H

F

F

L

M

G

G

I

V

N

T

R

K

E

H

G

G

L

V

T

A

S

A

I

I

V

T

Q

T

T

T

T

K

G

G

N

N

P

E

D

H

V

C

H

F

M

V

V

I

L

L

R
|
R

G

G

K

K

-

G

P

T

N

N

Y

Y

Y

D

P

A

E

K

D

S

I

V

A

A

L

E

T

A

E

K

E

A

K

Q

L

L

G

-

K

P

A

A

G

G

L

-

S

S

P

N

T

G

I

L

M

M

V

I

D

D

C

Y

S

S

H
|
H

G

G

N

N

S

S

E

N

K

K

N

D

H

F

E

R

K

N

Q

Q

P

P

L

K

V

V

L

N

E

D

N

V

V

V

I

C

E

E

Q

Q

I

I

A

A

A

N

G

G

N

E

R

N

S

A

I

I

S

T

S

G

V

V

M

M

I

I

E
|
E

S

S

Y

N

L

I

E

N

G

E

G

G

N

N

Q

Q

P

G

M

I

P

-

K

-

D

-

I

-

S

-

Q

-

L

L

K

K

Y

Y

G

G

V

V

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S

I

I

T

T

D
|
D

K

A

C

C

I

I

D

G

W

W

Q

E

T

T

E

E

A

D

I

V

M

L

R

R

K

K

A

L

H

A

A

A

S

A

L

V

K

R

binding cobalt (ii) ion: C54 (= C60), H260 (= H267), E294 (= E301), D313 (= D326)
binding sn-glycerol-3-phosphate: P91 (= P97), R92 (= R98), T93 (= T99), D313 (= D326)
binding phosphoenolpyruvate: R85 (= R91), G156 (= G162), K179 (= K185), R227 (= R233), H260 (= H267)

Query Sequence

>WP_011938638.1 NCBI__GCF_000016745.1:WP_011938638.1
MIKTNNLKIKSITPIIAPTDLRQVFPISAEASECVSASRENIKNILKGKDPRLMVVVGPC
SIHDPKGALEYAERLARLSKEVSDQLLLVMRVYFEKPRTTVGWKGLINDPDMNGTHLISK
GLGIARRLLSEITAMKLPIATEMLDPITPEYLADHLSWGAIGARTTESQTHRELASGLSF
PIGFKNGTDGNLQIAIDAMIAAQHSHSFLGINREGLTSIVQTTGNPDVHMVLRGGKKPNY
YPEDIALTEEKLGKAGLSPTIMVDCSHGNSEKNHEKQPLVLENVIEQIAAGNRSISSVMI
ESYLEGGNQPMPKDISQLKYGVSITDKCIDWQTTEAIMRKAHASLKACGGRKSA

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