SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 5208556 FitnessBrowser__PV4:5208556 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)
61% identity, 93% coverage: 4:342/363 of query aligns to 1:321/334 of 6agmA

query
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6agmA

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binding tyrosine: P145 (= P148), Q149 (= Q152), S178 (= S181), F207 (= F210), I210 (= I213), L219 (= L222)

4hsoA Crystal structure of s213g variant dah7ps from neisseria meningitidis (see paper)
55% identity, 92% coverage: 7:340/363 of query aligns to 3:331/345 of 4hsoA

query
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binding manganese (ii) ion: C58 (= C62), H265 (= H269), E299 (= E303), D319 (= D328)
binding phosphoenolpyruvate: R89 (= R93), A161 (= A165), R162 (= R166), K183 (= K187), R231 (= R235), H265 (= H269)
binding tyrosine: Q148 (= Q152), L172 (≠ M176), L176 (= L180), S177 (= S181)

5dceA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tryptophan) (see paper)
55% identity, 92% coverage: 7:340/363 of query aligns to 3:331/344 of 5dceA

query
sites
5dceA

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binding manganese (ii) ion: C58 (= C62), H265 (= H269), E299 (= E303), D319 (= D328)
binding tryptophan: Q148 (= Q152), L176 (= L180), S177 (= S181), S208 (≠ G212), V209 (≠ I213), V218 (≠ L222)

5dcdA Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated (tyrosine)
55% identity, 92% coverage: 7:340/363 of query aligns to 5:333/346 of 5dcdA

query
sites
5dcdA

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C

C

S

S

H
|
H

G

A

N

N

S

S

S

R

K

K

D

D

H

Y

T

T

R

R

Q

Q

P

M

S

E

V

V

C

A

Q

Q

D

D

V

I

F

A

D

A

Q

Q

I

L

A

E

N

Q

G

D

N

G

K

G

S

N

I

I

I

M

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

R

Q

Q

S

-

D

D

K

K

P

P

M

E

S

-

E

-

L

-

A

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

D

E

L

L

binding manganese (ii) ion: C60 (= C62), H267 (= H269), E301 (= E303), D321 (= D328)
binding trimethylamine oxide: A163 (= A165), K185 (= K187), R233 (= R235), H267 (= H269)
binding tyrosine: Q150 (= Q152), A153 (≠ S155), L178 (= L180), S179 (= S181), S210 (≠ G212), V220 (≠ L222)

5dcbC Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase regulated and complexed with pep
55% identity, 92% coverage: 7:340/363 of query aligns to 7:335/348 of 5dcbC

query
sites
5dcbC

N

D

V

I

H

K

I

I

S

K

S

E

E

V

K

K

V

E

L

L

V

L

T

P

P

P

E

I

E

A

L

H

K

L

Q

Y

Q

E

L

L

P

P

L

I

S

S

T

K

A

E

A

A

Y

S

H

G

Y

L

V

V

L

H

N

R

A

T

R

R

R

Q

T

E

V

I

S

S

D

D

I

L

V

V

H

H

K

G

R

R

D

D

N

K

R

R

V

L

L

L

V

V

V

I

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

K

S

A

A

A

K

L

E

E

Y

Y

A

A

L

E

R

R

L

L

K

L

T

K

L

L

H

R

D

K

E

Q

L

Y

K

E

D

N

E

E

F

L

Y

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

V

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

L

D

D

E

G

S

T

F

F

D

D

V

I

E

N

K

F

G

G

L

L

R

R

Q

Q

A

A

R

R

E

S

L

L

M

L

I

L

W

S

L

L

A

N

E

N

L

M

G

G

L

M

P

P

V

A

A

S

T

T

E
|
E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

Y

S
x
A

E

D

L

L

V

I

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

N

L

L

G

K

V

I

A

A

I

I

N

D

A

A

L

I

Q

G

S

A

A

A

A

S

S

H

S

S

H

H

R

H

F
|
F

M

L

G
x
S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

A

A

L

I

L
x
V

Q

H

T

T

A

G

G

G

N

N

P

P

D

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

S

E

S

H

V

V

A

S

E

E

C

A

E

A

Q

E

Q

Q

L

L

H

R

A

A

K

G

L

V

N

T

A

D

R

K

L

L

V

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

S

R

K

K

D

D

H

Y

T

T

R

R

Q

Q

P

M

S

E

V

V

C

A

Q

Q

D

D

V

I

F

A

D

A

Q

Q

I

L

A

E

N

Q

G

D

N

G

K

G

S

N

I

I

I

M

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

R

Q

Q

S

-

D

D

K

K

P

P

M

E

S

-

E

-

L

-

A

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

D

E

L

L

binding manganese (ii) ion: C62 (= C62), K98 (= K98), H269 (= H269), E303 (= E303), D323 (= D328)
binding phosphoenolpyruvate: R93 (= R93), Y95 (= Y95), E144 (= E144), K187 (= K187), R235 (= R235), H269 (= H269)
binding phenylalanine: Q152 (= Q152), A155 (≠ S155), L180 (= L180), S181 (= S181), F210 (= F210), S212 (≠ G212), V222 (≠ L222)

5cksB Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase in complex with dahp oxime. (see paper)
56% identity, 93% coverage: 7:342/363 of query aligns to 1:335/345 of 5cksB

query
sites
5cksB

N

D

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K
|
K

E

E

Y

Y

A

A

L

T

R

R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W
x
D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F
|
F

M
x
L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L

V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R

R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S

K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

K

K

D

Q

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E

E

S

S

H

H

L

L

N

V

E

E

G

G

N

N

Q

Q

S

S

-

L

-

E

S

S

D

G

K

E

P

P

M

-

S

-

E

-

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

binding DAHP Oxime: R87 (= R93), Y89 (= Y95), K92 (= K98), P93 (= P99), R94 (= R100), T95 (= T101), K181 (= K187), H263 (= H269), D321 (= D328)
binding beta-D-galactopyranose: K65 (= K71), D127 (≠ W133), Q165 (= Q171), E169 (= E175), F204 (= F210), L205 (≠ M211)

1kflA Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase (dahp synthase) from e.Coli complexed with mn2+, pep, and phe (see paper)
56% identity, 93% coverage: 7:342/363 of query aligns to 6:340/350 of 1kflA

query
sites
1kflA

N

D

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K

K

E

E

Y

Y

A

A

L

T

R

R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W

D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q
|
Q

Y

Y

I

L

S
x
A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F
|
F

M

L

G
x
S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L
x
V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S

K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

K

K

D

Q

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

N

Q

Q

S

S

-

L

-

E

S

S

D

G

K

E

P

P

M

-

S

-

E

-

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

binding manganese (ii) ion: C61 (= C62), K97 (= K98), H268 (= H269), E302 (= E303), D326 (= D328)
binding phosphoenolpyruvate: R92 (= R93), K186 (= K187), R234 (= R235), H268 (= H269)
binding phenylalanine: Q151 (= Q152), A154 (≠ S155), L179 (= L180), S180 (= S181), F209 (= F210), S211 (≠ G212), V221 (≠ L222)

P0AB91 Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive; 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase; DAHP synthase; Phospho-2-keto-3-deoxyheptonate aldolase; EC 2.5.1.54 from Escherichia coli (strain K12) (see paper)
56% identity, 93% coverage: 7:342/363 of query aligns to 6:340/350 of P0AB91

query
sites
P0AB91

N

D

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K

K

E

E

Y

Y

A

A

L

T

R

R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W

D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F

F

M

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L

V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R

R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S
x
K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

K

K

D

Q

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E

E

S

S

H

H

L

L

N

V

E

E

G

G

N

N

Q

Q

S

S

-

L

-

E

S

S

D

G

K

E

P

P

M

-

S

-

E

-

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

K244 (≠ S245) modified: N6-acetyllysine

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, 90% coverage: 15:340/363 of query aligns to 1:321/335 of 4umbA

query
sites
4umbA

K

K

V

E

L

L

V

L

T

P

P

P

E

I

E

A

L

H

K

L

Q

Y

Q

E

L

L

P

P

L

I

S

S

T

K

A

E

A

A

Y

S

H

G

Y

L

V

V

L

H

N

R

A

T

R

R

R

Q

T

E

V

I

S

S

D

D

I

L

V

V

H

H

K

G

R

R

D

D

N

K

R

R

V

L

L

L

V

V

V

I

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

K

S

A

A

A

K

L

E

E

Y

Y

A

A

L

E

R

R

L

L

K

L

T

K

L

L

H

R

D

K

E

Q

L

Y

K

E

D

N

E

E

F

L

Y

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

V

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

L

D

D

E

G

S

T

F

F

D

D

V

I

E

N

K

F

G

G

L

L

R

R

Q

Q

A

A

R

R

E

S

L

L

M

L

I

L

W

S

L

L

A

N

E

N

L

M

G

G

L

M

P

P

V

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

S

A

E

D

L

L

V

I

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

N

L

L

G

K

V

I

A

A

I

I

N

D

A

A

L

I

Q

G

S

A

A

A

A

S

S

H

S

S

H

H

R

H

F

F

M

L

G

S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

A

A

L

I

L

V

Q

H

T

T

A

G

G

G

N

N

P

P

D

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

S

E

S

H

V

V

A

S

E

E

C

A

E

A

Q

E

Q

Q

L

L

H

R

A

A

K

G

L

V

N

T

A

D

R

K

L

L

V

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

S

R

K

K

D

D

H

Y

T

T

R

R

Q

Q

P

M

S

E

V

V

C

A

Q

Q

D

D

V

I

F

A

D

A

Q

Q

I

L

A

E

N

Q

G

D

N

G

K

G

S

N

I

I

I

M

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

R

Q

Q

S

-

D

D

K

K

P

P

M

E

S

-

E

-

L

-

A

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

D

E

L

L

binding (2R)-2-(phosphonooxy)propanoic acid: R79 (= R93), K84 (= K98), A151 (= A165), R152 (= R166), K173 (= K187), R221 (= R235), H255 (= H269)
binding manganese (ii) ion: C48 (= C62), H255 (= H269), E289 (= E303), D309 (= D328)

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, 90% coverage: 15:340/363 of query aligns to 1:321/334 of 4umcA

query
sites
4umcA

K

K

V

E

L

L

V

L

T

P

P

P

E

I

E

A

L

H

K

L

Q

Y

Q

E

L

L

P

P

L

I

S

S

T

K

A

E

A

A

Y

S

H

G

Y

L

V

V

L

H

N

R

A

T

R

R

R

Q

T

E

V

I

S

S

D

D

I

L

V

V

H

H

K

G

R

R

D

D

N

K

R

R

V

L

L

L

V

V

V

I

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

K

S

A

A

A

K

L

E

E

Y

Y

A

A

L

E

R

R

L

L

K

L

T

K

L

L

H

R

D

K

E

Q

L

Y

K

E

D

N

E

E

F

L

Y

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

V

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

L

D

D

E

G

S

T

F

F

D

D

V

I

E

N

K

F

G

G

L

L

R

R

Q

Q

A

A

R

R

E

S

L

L

M

L

I

L

W

S

L

L

A

N

E

N

L

M

G

G

L

M

P

P

V

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

S

A

E

D

L

L

V

I

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

N

L

L

G

K

V

I

A

A

I

I

N

D

A

A

L

I

Q

G

S

A

A

A

A

S

S

H

S

S

H

H

R

H

F

F

M

L

G

S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

A

A

L

I

L

V

Q

H

T

T

A

G

G

G

N

N

P

P

D

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

S

E

S

H

V

V

A

S

E

E

C

A

E

A

Q

E

Q

Q

L

L

H

R

A

A

K

G

L

V

N

T

A

D

R

K

L

L

V

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

S

R

K

K

D

D

H

Y

T

T

R

R

Q

Q

P

M

S

E

V

V

C

A

Q

Q

D

D

V

I

F

A

D

A

Q

Q

I

L

A

E

N

Q

G

D

N

G

K

G

S

N

I

I

I

M

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

R

Q

Q

S

-

D

D

K

K

P

P

M

E

S

-

E

-

L

-

A

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

D

E

L

L

binding manganese (ii) ion: C48 (= C62), H255 (= H269), E289 (= E303), D309 (= D328)
binding l-phospholactate: R79 (= R93), K84 (= K98), G150 (= G164), R152 (= R166), K173 (= K187), R221 (= R235), H255 (= H269)

8e0sD Dahp (3-deoxy-d-arabinoheptulosonate-7-phosphate) synthase complexed with dahp oxime in unbound:(bound)2:unbound conformations (see paper)
56% identity, 92% coverage: 8:342/363 of query aligns to 1:334/343 of 8e0sD

query
sites
8e0sD

N

D

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K

K

E
|
E

Y

Y

A

A

L

T

R
|
R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W

D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F

F

M

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L

V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R

R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S

K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H

H

G

A

N

N

S

S

K

K

D

Q

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E

E

S

S

H

H

L
|
L

N

V

E

E

G

G

N

N

Q

Q

S

S

-

L

-

E

S

S

D

G

K

E

P

P

M

-

S

-

E

-

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

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

7rudB Dahp synthase complex with trifluoropyruvate oxime (see paper)
56% identity, 92% coverage: 8:342/363 of query aligns to 1:334/343 of 7rudB

query
sites
7rudB

N

D

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C

C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K

K

E

E

Y

Y

A

A

L

T

R

R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W

D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E
|
E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F

F

M

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L

V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S

K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

K

K

D

Q

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E

E

S

S

H

H

L

L

N

V

E

E

G

G

N

N

Q

Q

S

S

-

L

-

E

S

S

D

G

K

E

P

P

M

-

S

-

E

-

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D

D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

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

4umaA Structural analysis of substrate-mimicking inhibitors in complex with neisseria meningitidis 3 deoxy d arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water (see paper)
56% identity, 89% coverage: 17:340/363 of query aligns to 2:320/333 of 4umaA

query
sites
4umaA

L

L

V

L

T

P

P

P

E

I

E

A

L

H

K

L

Q

Y

Q

E

L

L

P

P

L

I

S

S

T

K

A

E

A

A

Y

S

H

G

Y

L

V

V

L

H

N

R

A

T

R

R

R

Q

T

E

V

I

S

S

D

D

I

L

V

V

H

H

K

G

R

R

D

D

N

K

R

R

V

L

L

L

V

V

V

I

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

K

S

A

A

A

K

L

E

E

Y

Y

A

A

L

E

R

R

L

L

K

L

T

K

L

L

H

R

D

K

E

Q

L

Y

K

E

D

N

E

E

F

L

Y

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

V

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

L

D

D

E

G

S

T

F

F

D

D

V

I

E

N

K

F

G

G

L

L

R

R

Q

Q

A

A

R

R

E

S

L

L

M

L

I

L

W

S

L

L

A

N

E

N

L

M

G

G

L

M

P

P

V

A

A

S

T

T

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

Y

S

A

E

D

L

L

V

I

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

N

L

L

G

K

V

I

A

A

I

I

N

D

A

A

L

I

Q

G

S

A

A

A

A

S

S

H

S

S

H

H

R

H

F

F

M

L

G

S

I

V

N

T

Q

K

A

A

G

G

Q

H

V

S

A

A

L

I

L

V

Q

H

T

T

A

G

G

G

N

N

P

P

D

D

G

C

H

H

V

V

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

D

A

A

S

E

S

H

V

V

A

S

E

E

C

A

E

A

Q

E

Q

Q

L

L

H

R

A

A

K

G

L

V

N

T

A

D

R

K

L

L

V

M

V

I

D

D

C

C

S

S

H
|
H

G

A

N

N

S

S

S

R

K

K

D

D

H

Y

T

T

R

R

Q

Q

P

M

S

E

V

V

C

A

Q

Q

D

D

V

I

F

A

D

A

Q

Q

I

L

A

E

N

Q

G

D

N

G

K

G

S

N

I

I

I

M

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

R

Q

Q

S

-

D

D

K

K

P

P

M

E

S

-

E

-

L

-

A

V

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

G

T

A

T

T

E

E

D

E

L

L

binding (e)-2-methyl-3-phosphonoacrylate: R78 (= R93), K83 (= K98), G149 (= G164), A150 (= A165), R151 (= R166), K172 (= K187), R220 (= R235), H254 (= H269)
binding manganese (ii) ion: C47 (= C62), H254 (= H269), E288 (= E303), D308 (= D328)

1gg1A Crystal structure analysis of dahp synthase in complex with mn2+ and 2-phosphoglycolate (see paper)
56% identity, 92% coverage: 8:342/363 of query aligns to 1:330/339 of 1gg1A

query
sites
1gg1A

N

D

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K

K

E

E

Y

Y

A

A

L

T

R

R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W

D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F

F

M

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L

V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S

K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

K

K

D

Q

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

N

Q

Q

S

S

S

-

D

-

K

-

P

-

M

-

S

L

E

P

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

binding manganese (ii) ion: C55 (= C62), H262 (= H269), E296 (= E303), D316 (= D328)
binding 2-phosphoglycolic acid: R86 (= R93), K91 (= K98), G157 (= G164), K180 (= K187), R228 (= R235), H262 (= H269)

1qr7A Crystal structure of phenylalanine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from escherichia coli complexed with pb2+ and pep (see paper)
56% identity, 92% coverage: 9:342/363 of query aligns to 1:328/338 of 1qr7A

query
sites
1qr7A

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K

K

E

E

Y

Y

A

A

L

T

R

R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W

D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F

F

M

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L

V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S

K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

K

K

D

Q

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

N

Q

Q

S

S

S

L

D

-

K

-

P

-

M

-

S

-

E

-

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

binding lead (ii) ion: C54 (= C62), H261 (= H269), E295 (= E303), D314 (= D328)
binding phosphoenolpyruvate: R85 (= R93), Y87 (= Y95), R158 (= R166), K179 (= K187), R227 (= R235), H261 (= H269)

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)
55% identity, 94% coverage: 8:347/363 of query aligns to 1:336/344 of 1ofoA

query
sites
1ofoA

N

D

V

V

H

R

I

I

S

L

S

G

E

Y

K

D

V

P

L

L

V

A

T

S

P

P

E

A

E

L

L

L

K

Q

Q

V

Q

Q

L

I

P

P

L

A

S

T

T

P

A

T

A

S

Y

L

H

E

Y

T

V

A

L

K

N

R

A

G

R

R

T

E

V

A

S

I

D

D

I

I

V

I

H

T

K

G

R

K

D

D

N

D

R

R

V

V

L

L

V

V

V

I

S

V

G

G

P

P

C

C

S

S

I

I

H

H

D

D

I

L

A

E

S

A

A

A

K

Q

E

E

Y

Y

A

A

L

L

R

R

L

L

K

K

T

K

L

L

H

S

D

D

E

E

L

L

K

K

D

G

E

D

F

L

Y

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

V

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

D

M

V

D

N

E

N

S

T

F

F

D

N

V

I

E

N

K

K

G

G

L

L

R

Q

Q

S

A

A

R

R

E

Q

L

L

M

F

I

V

W

N

L

L

A

T

E

N

L

I

G

G

L

L

P

P

V

I

A

G

T

S

E

E

A

M

L

L

D

D

P

T

I

I

S

S

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

V

T

S

W

F

S

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

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

G

G

T

T

D

D

G

G

K

T

L

L

G

N

V

V

A

A

I

V

N

D

A

A

L

C

Q

Q

S

A

A

A

S

H

S

S

H

H

R

H

F

F

M

M

G

G

I

V

N

T

Q

K

A

H

G

G

Q

V

V

A

A

A

L

I

L

T

Q

T

T

T

A

K

G

G

N

N

P

E

D

H

G

C

H

F

V

V

I

I

L

L

R
|
R

G

G

K

K

T

K

-

G

P

T

N

N

Y

Y

D

D

A

A

S

K

S

S

V

V

A

A

E

E

C

A

E

K

Q

A

Q

Q

L

L

H

P

A

A

A

G

K

-

L

-

N

S

A

N

R

G

L

L

V

M

V

I

D

D

C

Y

S

S

H
|
H

G

G

N

N

S

S

S

N

K

K

D

D

H

F

T

R

R

N

Q

Q

P

P

S

K

V

V

C

N

Q

D

D

V

V

V

F

C

D

E

Q

Q

I

I

A

A

N

N

G

G

N

E

K

N

S

A

I

I

I

T

G

G

V

V

M

M

L

I

E

E

S

S

H

N

L

I

N

N

E

E

G

G

N

N

Q

Q

S

G

S

I

D

P

K

-

P

-

M

-

S

A

E

G

L

L

A

K

Y

Y

G

G

V

V

S

S

V

I

T

T

D

D

A

A

C

C

I

I

D

G

W

W

Q

E

T

T

E

E

D

D

L

V

L

L

R

R

Q

K

G

L

A

A

Q

A

L

V

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

1of8A Double complex of the tyrosine sensitive dahp synthase from s. Cerevisiae with co2+, pep and the e4p analogoue g3p (see paper)
56% identity, 93% coverage: 9:345/363 of query aligns to 1:330/339 of 1of8A

query
sites
1of8A

V

V

H

R

I

I

S

L

S

G

E

Y

K

D

V

P

L

L

V

A

T

S

P

P

E

A

E

L

L

L

K

Q

Q

V

Q

Q

L

I

P

P

L

A

S

T

T

P

A

T

A

S

Y

L

H

E

Y

T

V

A

L

K

N

R

A

G

R

R

T

E

V

A

S

I

D

D

I

I

V

I

H

T

K

G

R

K

D

D

N

D

R

R

V

V

L

L

V

V

V

I

S

V

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

L

A

E

S

A

A

A

K

Q

E

E

Y

Y

A

A

L

L

R

R

L

L

K

K

T

K

L

L

H

S

D

D

E

E

L

L

K

K

D

G

E

D

F

L

Y

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

M

L

I

I

N

N

D

D

P

P

D

D

M

V

D

N

E

N

S

T

F

F

D

N

V

I

E

N

K

K

G

G

L

L

R

Q

Q

S

A

A

R

R

E

Q

L

L

M

F

I

V

W

N

L

L

A

T

E

N

L

I

G

G

L

L

P

P

V

I

A

G

T

S

E

E

A

M

L

L

D

D

P

T

I

I

S

S

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

V

T

S

W

F

S

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

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

G

G

T

T

D

D

G

G

K

T

L

L

G

N

V

V

A

A

I

V

N

D

A

A

L

C

Q

Q

S

A

A

A

S

H

S

S

H

H

R

H

F

F

M

M

G

G

I

V

N

T

Q

K

A

H

G

G

Q

V

V

A

A

A

L

I

L

T

Q

T

T

T

A

K

G

G

N

N

P

E

D

H

G

C

H

F

V

V

I

I

L

L

R
|
R

G

G

K

K

T

K

-

G

P

T

N

N

Y

Y

D

D

A

A

S

K

S

S

V

V

A

A

E

E

C

A

E

K

Q

A

Q

Q

L

L

H

P

A

A

A

G

K

-

L

-

N

S

A

N

R

G

L

L

V

M

V

I

D

D

C

Y

S

S

H
|
H

G

G

N

N

S

S

S

N

K

K

D

D

H

F

T

R

R

N

Q

Q

P

P

S

K

V

V

C

N

Q

D

D

V

V

V

F

C

D

E

Q

Q

I

I

A

A

N

N

G

G

N

E

K

N

S

A

I

I

I

T

G

G

V

V

M

M

L

I

E
|
E

S

S

H

N

L

I

N

N

E

E

G

G

N

N

Q

Q

S

G

S

I

D

-

K

-

P

-

M

-

S

-

E

-

L

L

A

K

Y

Y

G

G

V

V

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

E

T

T

E

E

D

D

L

V

L

L

R

R

Q

K

G

L

A

A

binding cobalt (ii) ion: C54 (= C62), H260 (= H269), E294 (= E303), D313 (= D328)
binding sn-glycerol-3-phosphate: P91 (= P99), R92 (= R100), T93 (= T101), D313 (= D328)
binding phosphoenolpyruvate: R85 (= R93), G156 (= G164), K179 (= K187), R227 (= R235), H260 (= H269)

1hfbA Crystal structure of the tyrosine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from saccharomyces cerevisiae complexed with phosphoenolpyruvate (see paper)
55% identity, 93% coverage: 9:345/363 of query aligns to 1:329/339 of 1hfbA

query
sites
1hfbA

V

V

H

R

I

I

S

L

S

G

E

Y

K

D

V

P

L

L

V

A

T

S

P

P

E

A

E

L

L

L

K

Q

Q

V

Q

Q

L

I

P

P

L

A

S

T

T

P

A

T

A

S

Y

L

H

E

Y

T

V

A

L

K

N

R

A

G

R

R

T

E

V

A

S

I

D

D

I

I

V

I

H

T

K

G

R

K

D

D

N

D

R

R

V

V

L

L

V

V

V

I

S

V

G

G

P

P

C

C

S

S

I

I

H

H

D

D

I

L

A

E

S

A

A

A

K

Q

E

E

Y

Y

A

A

L

L

R

R

L

L

K

K

T

K

L

L

H

S

D

D

E

E

L

L

K

K

D

G

E

D

F

L

Y

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

V

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

D

M

V

D

N

E

N

S

T

F

F

D

N

V

I

E

N

K

K

G

G

L

L

R

Q

Q

S

A

A

R

R

E

Q

L

L

M

F

I

V

W

N

L

L

A

T

E

N

L

I

G

G

L

L

P

P

V

I

A

G

T

S

E

E

A

M

L

L

D

D

P

T

I

I

S

S

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

V

T

S

W

F

S

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

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

G

G

T

T

D

D

G

G

K

T

L

L

G

N

V

V

A

A

I

V

N

D

A

A

L

C

Q

Q

S

A

A

A

S

H

S

S

H

H

R

H

F

F

M

M

G

G

I

V

N

T

Q

K

A

H

G

G

Q

V

V

A

A

A

L

I

L

T

Q

T

T

T

A

K

G

G

N

N

P

E

D

H

G

C

H

F

V

V

I

I

L

L

R
|
R

G

G

K

K

T

K

-

G

P

T

N

N

Y

Y

D

D

A

A

S

K

S

S

V

V

A

A

E

E

C

A

E

K

Q

A

Q

Q

L

L

H

P

A

A

A

G

K

-

L

-

N

S

A

N

R

G

L

L

V

M

V

I

D

D

C

Y

S

S

H
|
H

G

G

N

N

S

S

S

N

K

K

D

D

H

F

T

R

R

N

Q

Q

P

P

S

K

V

V

C

N

Q

D

D

V

V

V

F

C

D

E

Q

Q

I

I

A

A

N

N

G

G

N

E

K

N

S

A

I

I

I

T

G

G

V

V

M

M

L

I

E

E

S

S

H

N

L

I

N

N

E

E

G

G

N

N

Q

Q

S

G

S

-

D

-

K

-

P

-

M

-

S

-

E

-

L

I

A

K

Y

Y

G

G

V

V

S

S

V

I

T

T

D

D

A

A

C

C

I

I

D

G

W

W

Q

E

T

T

E

E

D

D

L

V

L

L

R

R

Q

K

G

L

A

A

binding phosphoenolpyruvate: R85 (= R93), Y87 (= Y95), G156 (= G164), A157 (= A165), K179 (= K187), R227 (= R235), H260 (= H269)

7rueA Dahp synthase complexed with trifluoropyruvate semicarbazone (see paper)
55% identity, 93% coverage: 7:342/363 of query aligns to 2:330/339 of 7rueA

query
sites
7rueA

N

D

V

L

H

R

I

I

S

K

S

E

E

I

K

K

V

E

L

L

V

L

T

P

P

P

E

V

E

A

L

L

K

L

Q

E

Q

K

L

F

P

P

L

A

S

T

T

E

A

N

A

A

Y

A

H

N

Y

T

V

V

L

A

N

H

A

A

R

R

R

K

T

A

V

I

S

H

D

K

I

I

V

L

H

K

K

G

R

N

D

D

N

D

R

R

V

L

L

L

V

V

S

I

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

P

A

V

S

A

A

A

K

K

E

E

Y

Y

A

A

L

T

R

R

L

L

K

L

T

A

L

L

H

R

D

E

E

E

L

L

K

K

D

D

E

E

F

L

Y

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

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

H

M

M

D

D

E

N

S

S

F

F

D

Q

V

I

E

N

K

D

G

G

L

L

R

R

Q

I

A

A

R

R

E

K

L

L

M

L

I

L

W

D

L

I

A

N

E

D

L

S

G

G

L

L

P

P

V

A

A

A

T

G

E

E

A

F

L

L

D

D

P

M

I

I

S

T

P

P

Q

Q

Y

Y

I

L

S

A

E

D

L

L

V

M

T

S

W

W

S

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

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

G

G

T

T

D

D

G

G

K

T

L

I

G

K

V

V

A

A

I

I

N

D

A

A

L

I

Q

N

S

A

A

A

A

G

S

A

S

P

H

H

R

C

F

F

M

L

G

S

I

V

N

T

Q

K

A

W

G

G

Q

H

V

S

A

A

L

I

L

V

Q

N

T

T

A

S

G

G

N

N

P

G

D

D

G

C

H

H

V

I

I

I

L

L

R
|
R

G

G

K

K

T

E

P

P

N

N

Y

Y

D

S

A

A

S

K

S

H

V

V

A

A

E

E

C

V

E

K

Q

E

Q

G

L

L

H

N

A

K

A

A

K

G

L

L

N

P

A

A

R

Q

L

V

V

M

V

I

D

D

C

F

S

S

H
|
H

G

A

N

N

S

S

K

Q

D

-

H

F

T

K

R

K

Q

Q

P

M

S

D

V

V

C

C

Q

A

D

D

V

V

F

C

D

Q

Q

Q

I

I

A

A

N

G

G

G

N

E

K

K

S

A

I

I

G

G

V

V

M

M

L

V

E
|
E

S

S

H

H

L

L

N

V

E

E

G

G

N

N

Q

Q

S

S

S

L

D

-

K

-

P

-

M

-

S

-

E

-

L

L

A

A

Y

Y

G

G

V

K

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

E

T

D

T

T

E

D

D

A

L

L

R

R

Q

Q

binding (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid: R88 (= R93), Y90 (= Y95), G159 (= G164), A160 (= A165), K182 (= K187), R230 (= R235), H264 (= H269)
binding manganese (ii) ion: C57 (= C62), H264 (= H269), E297 (= E303), D316 (= D328)

1of6A Crystal structure of the tyrosine-regulated 3-deoxy-d-arabino- heptulosonate-7-phosphate synthase from saccharomyces cerevisiae complexed with tyrosine and manganese
55% identity, 94% coverage: 8:347/363 of query aligns to 5:343/350 of 1of6A

query
sites
1of6A

N
x
D

V

V

H

R

I
|
I

S

L

S

G

E

Y

K

D

V

P

L

L

V

A

T

S

P

P

E

A

E

L

L

L

K

Q

Q

V

Q

Q

L

I

P

P

L

A

S

T

T

P

A

T

A

S

Y

L

H

E

Y

T

V

A

L

K

N

R

A

G

R

R

T

E

V

A

S

I

D

D

I

I

V

I

H

T

K

G

R

K

D

D

N

D

R

R

V

V

L

L

V

V

V

I

S

V

G

G

P

P

C
|
C

S

S

I

I

H

H

D

D

I

L

A

E

S

A

A

A

K

Q

E

E

Y

Y

A

A

L

L

R

R

L

L

K

K

T

K

L

L

H

S

D

D

E

E

L

L

K

K

D

G

E

D

F

L

Y

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

-

V

V

G

G

W

W

K

K

G

G

M

L

I

I

N

N

D

D

P

P

D

D

M

V

D

N

E

N

S

T

F

F

D

N

V

I

E

N

K

K

G

G

L

L

R

Q

Q

S

A

A

R

R

E

Q

L

L

M

F

I

V

W

N

L

L

A

T

E

N

L

I

G

G

L

L

P

P

V

I

A

G

T

S

E

E

A

M

L

L

D

D

P
x
T

I

I

S

S

P

P

Q
|
Q

Y

Y

I

L

S
x
A

E

D

L

L

V

V

T

S

W

F

S

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

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

G

G

T

T

D

D

G

G

K

T

L

L

G

N

V

V

A

A

I

V

N

D

A

A

L

C

Q

Q

S

A

A

A

S

H

S

S

H

H

R

H

F

F

M

M

G

G

I

V

N

T

Q

K

A

H

G

G

Q

V

V

A

A

A

L

I

L

T

Q

T

T

T

A

K

G

G

N

N

P

E

D

H

G

C

H

F

V

V

I

I

L

L

R

R

G

G

K

K

T

K

-

G

P

T

N

N

Y

Y

D

D

A

A

S

K

S

S

V

V

A

A

E

E

C

A

E

K

Q

A

Q

Q

L

L

H

P

A

A

A

G

K

-

L

-

N

S

A

N

R

G

L

L

V

M

V

I

D

D

C

Y

S

S

H
|
H

G

G

N

N

S

S

S

N

K

K

D

D

H

F

T

R

R

N

Q

Q

P

P

S

K

V

V

C

N

Q

D

D

V

V

V

F

C

D

E

Q

Q

I

I

A

A

N

N

G

G

N

E

K

N

S

A

I

I

I

T

G

G

V

V

M

M

L

I

E
|
E

S

S

H

N

L

I

N

N

E

E

G

G

N

N

Q

Q

S

G

-

I

S

P

D

A

K

E

P

G

M

K

S

A

E

G

L

L

A

K

Y

Y

G

G

V

V

S

S

V

I

T

T

D
|
D

A

A

C

C

I

I

D

G

W

W

Q

E

T

T

E

E

D

D

L

V

L

L

R

R

Q

K

G

L

A

A

Q

A

L

V

binding d-tyrosine: D5 (≠ N8), I8 (= I11), T144 (≠ P148), Q148 (= Q152), A151 (≠ S155), L176 (= L180), S177 (= S181)
binding manganese (ii) ion: C59 (= C62), H264 (= H269), E298 (= E303), D324 (= D328)

Sites not aligning to the query:

binding d-tyrosine: 4

Query Sequence

>5208556 FitnessBrowser__PV4:5208556
MQQDTINNVHISSEKVLVTPEELKQQLPLSTAAYHYVLNARRTVSDIVHKRDNRVLVVSG
PCSIHDIASAKEYALRLKTLHDELKDEFYILMRVYFEKPRTTVGWKGMINDPDMDESFDV
EKGLRQARELMIWLAELGLPVATEALDPISPQYISELVTWSAIGARTTESQTHREMASGL
SMPVGFKNGTDGKLGVAINALQSAASSHRFMGINQAGQVALLQTAGNPDGHVILRGGKTP
NYDASSVAECEQQLHAAKLNARLVVDCSHGNSSKDHTRQPSVCQDVFDQIANGNKSIIGV
MLESHLNEGNQSSDKPMSELAYGVSVTDACIDWQTTEDLLRQGAAQLASVLPGRFAMLKA
VNA

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