SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012116171.1 NCBI__GCF_000017645.1:WP_012116171.1 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)

3e0iA Cu2+ substituted aquifex aeolicus kdo8ps in complex with pep (see paper)
52% identity, 89% coverage: 33:292/292 of query aligns to 5:263/263 of 3e0iA

query
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3e0iA

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binding copper (ii) ion: C10 (= C38), H184 (= H213), E221 (= E250)
binding phosphoenolpyruvate: K40 (= K67), K45 (= K72), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213)
binding phosphate ion: R48 (= R75), S49 (≠ T76), K195 (≠ S224), S196 (= S225)

2a21A Aquifex aeolicus kdo8ps in complex with pep, po4, and zn2+ (see paper)
52% identity, 89% coverage: 33:292/292 of query aligns to 5:263/263 of 2a21A

query
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2a21A

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binding phosphoenolpyruvate: K40 (= K67), K45 (= K72), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213)
binding phosphate ion: R48 (= R75), S49 (≠ T76), S196 (= S225)
binding zinc ion: C10 (= C38), H184 (= H213), E221 (= E250), D232 (= D261)

1jcyA Aquifex aeolicus kdo8p synthase in complex with r5p, pep and cadmium (see paper)
52% identity, 89% coverage: 33:292/292 of query aligns to 5:263/263 of 1jcyA

query
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binding phosphoenolpyruvate: K40 (= K67), K45 (= K72), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213)
binding ribose-5-phosphate: N47 (= N74), R48 (= R75), S49 (≠ T76), H184 (= H213), Q187 (= Q216), S196 (= S225)

1fwwA Aquifex aeolicus kdo8p synthase in complex with pep, a5p and cadmium (see paper)
52% identity, 89% coverage: 33:292/292 of query aligns to 5:263/263 of 1fwwA

query
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binding arabinose-5-phosphate: N47 (= N74), R48 (= R75), S49 (≠ T76), H184 (= H213), S196 (= S225), D232 (= D261)
binding phosphoenolpyruvate: K40 (= K67), K45 (= K72), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213)

1fwtA Aquifex aeolicus kdo8p synthase in complex with pep, e4p and cadmium (see paper)
52% identity, 89% coverage: 33:292/292 of query aligns to 5:263/263 of 1fwtA

query
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1fwtA

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L

P

P

I

I

L

M

A

K

K

Q

T

W

T

-

G

-

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

Q

L

P

P

G

G

Q

L

G

G

S

D

S

K

S
|
S

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F

F

I

M

E

E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding erythose-4-phosphate: N47 (= N74), R48 (= R75), S49 (≠ T76), S196 (= S225)
binding phosphoenolpyruvate: K40 (= K67), K45 (= K72), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213)

2nx3D Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
52% identity, 89% coverage: 33:292/292 of query aligns to 4:262/262 of 2nx3D

query
sites
2nx3D

L

V

I

I

A

A

G

G

P

P

C
x
N

Q

A

M

I

E

E

S

S

R

E

A

E

H

L

A

L

L

L

E

K

V

V

A

G

S

E

A

E

L

I

K

K

E

R

I

L

T

S

R

E

R

K

-

F

R

K

G

E

I

V

G

E

L

F

I

V

F

F

K

K

T

S

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

S

H

A

S

Q

F

R

R

G

G

L

H

G

G

L

L

E

E

A

Y

A

G

L

V

P

K

V

A

F

L

A

R

E

K

I

V

R

K

E

E

S

E

L

F

G

G

L

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

I

S

D

W

Q

Q

C

A

A

E

A

P

A

V

A

A

Q

E

A

V

V

A

D

D

V

I

L

I

Q
|
Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

I

L

A

A

R

K

T

T

G

G

K

R

T

A

V

V

N

N

V

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

A

K

N

N

V

V

N

E

K

K

L

L

T

K

G

F

A

G

G

G

N

A

G

K

R

E

V

I

L

Y

V

L

T

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

S

V

D

D

M

F

R

R

A

S

L

L

P

P

I

I

L

M

A

K

K

Q

T

W

T

-

G

-

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

Q

L

P

P

G

G

Q

L

G

G

S

D

S
x
K

S
|
S

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F

F

I

M

E

E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D
|
D

G

A

P

P

N

T

M

A

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid: N9 (≠ C38), K44 (= K72), N46 (= N74), R47 (= R75), S48 (≠ T76), Q97 (= Q125), P99 (= P127), A100 (= A128), K122 (= K150), R152 (= R180), H183 (= H213), K194 (≠ S224), S195 (= S225), D231 (= D261)

2nx1A Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
52% identity, 89% coverage: 33:292/292 of query aligns to 5:263/263 of 2nx1A

query
sites
2nx1A

L

V

I

I

A

A

G

G

P

P

C

N

Q

A

M

I

E

E

S

S

R

E

A

E

H

L

A

L

L

L

E

K

V

V

A

G

S

E

A

E

L

I

K

K

E

R

I

L

T

S

R

E

R

K

-

F

R

K

G

E

I

V

G

E

L

F

I

V

F

F

K
|
K

T

S

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

S

H

A

S

Q

F

R

R

G

G

L

H

G

G

L

L

E

E

A

Y

A

G

L

V

P

K

V

A

F

L

A

R

E

K

I

V

R

K

E

E

S

E

L

F

G

G

L

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

I

S

D

W

Q

Q

C

A

A

E

A

P

A

V

A

A

Q

E

A

V

V

A

D

D

V

I

L

I

Q
|
Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

I

L

A

A

R

K

T

T

G

G

K

R

T

A

V

V

N

N

V

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

A

K

N

N

V

V

N

E

K

K

L

L

T

K

G

F

A

G

G

G

N

A

G

K

R

E

V

I

L

Y

V

L

T

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

S

V

D

D

M

F

R

R

A

S

L

L

P

P

I

I

L

M

A

K

K

Q

T

W

T

-

G

-

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

Q

L

P

P

G

G

Q

L

G

G

S

D

S

K

S
|
S

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F

F

I

M

E

E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D
|
D

G

A

P

S

N

T

M

Q

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding phosphoenolpyruvate: K40 (= K67), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213)
binding 5-O-phosphono-beta-D-ribofuranose: K45 (= K72), N47 (= N74), R48 (= R75), S49 (≠ T76), S196 (= S225), D232 (= D261)

3e12A Cu2+ substituted aquifex aeolicus kdo8ps in complex with kdo8p (see paper)
51% identity, 89% coverage: 33:292/292 of query aligns to 5:258/258 of 3e12A

query
sites
3e12A

L

V

I

I

A

A

G

G

P

P

C
|
C

Q

A

M

I

E

E

S

S

R

E

A

E

H

L

A

L

L

L

E

K

V

V

A

G

S

E

A

E

L

I

K

K

E

R

I

L

T

S

R

E

R

K

-

F

R

K

G

E

I

V

G

E

L

F

I

V

F

F

K
|
K

T

S

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

S

H

A

S

Q

F

R

R

G

G

L

H

G

G

L

L

E

E

A

Y

A

G

L

V

P

K

V

A

F

L

A

R

E

K

I

V

R

K

E

E

S

E

L

F

G

G

L

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

I

S

D

W

Q

Q

C

A

A

E

A

P

A

V

A

A

Q

E

A

V

V

A

D

D

V

I

L

I

Q
|
Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

I

L

A

A

R

K

T

T

G

G

K

R

T

A

V

V

N

N

V

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

A

K

N

N

V

V

N

E

K

K

L

L

T

K

G

F

A

G

G

G

N

A

G

K

R

E

V

I

L

Y

V

L

T

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

S

V

D

D

M

F

R

R

A

S

L

L

P

P

I

I

L

M

A

K

K

Q

T

-

G

W

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

Q

L

P

P

G

G

Q

-

G

-

S

-

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F

F

I

M

E
|
E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D
|
D

G

A

P

S

N

T

M

Q

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding copper (ii) ion: C10 (= C38), H184 (= H213), E216 (= E250), D227 (= D261)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K40 (= K67), K45 (= K72), N47 (= N74), R48 (= R75), S49 (≠ T76), Q98 (= Q125), K123 (= K150), H184 (= H213), D227 (= D261)
binding phosphate ion: P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180)

1pe1A Aquifex aeolicus kdo8ps in complex with cadmium and 2-pga (see paper)
51% identity, 89% coverage: 33:292/292 of query aligns to 6:258/258 of 1pe1A

query
sites
1pe1A

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

A

E

H

L

A

L

L

L

E

K

V

V

A

G

S

E

A

E

L

I

K

K

E

R

I

L

T

S

R

E

R

K

-

F

R

K

G

E

I

V

G

E

L

F

I

V

F

F

K
|
K

T

S

S

S

F

F

D

D

K

K

A

A

N

N

R

R

T

S

S

S

L

I

S

H

A

S

Q

F

R

R

G

G

L

H

G

G

L

L

E

E

A

Y

A

G

L

V

P

K

V

A

F

L

A

R

E

K

I

V

R

K

E

E

S

E

L

F

G

G

L

L

P

K

V

I

L

T

T

T

D
|
D

V

I

H

H

E

E

I

S

D

W

Q

Q

C

A

A

E

A

P

A

V

A

A

Q

E

A

V

V

A

D

D

V

I

L

I

Q
|
Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

I

L

A

A

R

K

T

T

G

G

K

R

T

A

V

V

N

N

V

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

A

K

N

N

V

V

N

E

K

K

L

L

T

K

G

F

A

G

G

G

N

A

G

K

R

E

V

I

L

Y

V

L

T

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

S

V

D

D

M

F

R

R

A

S

L

L

P

P

I

I

L

M

A

K

K

Q

T

-

G

W

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

Q

L

P

P

G

G

G

-

Q

-

G

-

S

-

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F

F

I

M

E

E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding 2-phosphoglyceric acid: K41 (= K67), D81 (= D107), Q99 (= Q125), P101 (= P127), A102 (= A128), K124 (= K150), R154 (= R180), H185 (= H213)

1pcwA Aquifex aeolicus kdo8ps in complex with cadmium and app, a bisubstrate inhibitor (see paper)
51% identity, 89% coverage: 33:292/292 of query aligns to 5:257/257 of 1pcwA

query
sites
1pcwA

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

A

E

H

L

A

L

L

L

E

K

V

V

A

G

S

E

A

E

L

I

K

K

E

R

I

L

T

S

R

E

R

K

-

F

R

K

G

E

I

V

G

E

L

F

I

V

F

F

K

K

T

S

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

S

H

A

S

Q

F

R

R

G

G

L

H

G

G

L

L

E

E

A

Y

A

G

L

V

P

K

V

A

F

L

A

R

E

K

I

V

R

K

E

E

S

E

L

F

G

G

L

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

I

S

D

W

Q

Q

C

A

A

E

A

P

A

V

A

A

Q

E

A

V

V

A

D

D

V

I

L

I

Q

Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

I

L

A

A

R

K

T

T

G

G

K

R

T

A

V

V

N

N

V

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

A

K

N

N

V

V

N

E

K

K

L

L

T

K

G

F

A

G

G

G

N

A

G

K

R

E

V

I

L

Y

V

L

T

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

S

V

D

D

M

F

R

R

A

S

L

L

P

P

I

I

L

M

A

K

K

Q

T

-

G

W

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q
|
Q

Q

L

P

P

G

G

G

-

Q

-

G

-

S

-

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F

F

I

M

E

E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D
|
D

G

A

P

S

N

T

M

Q

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol: K45 (= K72), N47 (= N74), R48 (= R75), S49 (≠ T76), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213), Q187 (= Q216), D226 (= D261)

3undB Substrate-bound crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from burkholderia pseudomallei (see paper)
50% identity, 91% coverage: 23:289/292 of query aligns to 12:279/284 of 3undB

query
sites
3undB

V

V

R

T

I

A

G

G

N

N

G

S

L

L

P

P

L

F

A

V

L

L

I

F

A

G

G

G

P

I

C
x
N

Q

V

M

L

E

E

S

S

R

L

A

D

H

F

A

T

L

L

E

D

V

V

A

C

S

G

A

E

L

Y

K

V

E

A

I

V

T

T

R

R

R

K

R

L

G

G

I

I

G

P

L

F

I

V

F

F

K
|
K

T

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

S

H

A

S

Q

Y

R

R

G

G

L

V

G

G

L

L

E

D

A

E

A

G

L

L

P

K

V

I

F

F

A

A

E

E

I

V

R

K

E

A

S

R

L

F

G

G

L

V

P

P

V

V

L

I

T

T

D

D

V

V

H

H

E

E

I

A

D

E

Q

Q

C

A

A

A

A

P

A

V

A

A

Q

E

A

I

V

A

D

D

V

V

L

L

Q
|
Q

I

V

P
|
P

A
|
A

F

F

L

L

C

A

R

R

Q

Q

T

T

D

D

L

L

L

V

I

V

A

A

A

I

A

A

R

K

T

A

G

G

K

K

T

P

V

V

N

N

V

V

K
|
K

K

K

G

P

Q

Q

F

F

L

M

A

S

P

P

W

T

D

Q

M

L

A

K

N

H

V

V

N

S

K

K

L

C

T

G

G

E

A

V

G

G

N

N

G

D

R

R

V

V

L

M

V

L

T

C

E

E

R
|
R

G

G

V

S

S

S

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

S

V

D

D

M

M

R

L

A

G

L

F

P

R

I

Q

L

M

A

A

K

E

T

T

-

G

G

G

A

C

P

P

V

V

V

I

F

F

D

D

A

V

T

T

H
|
H

S

S

V

L

Q
|
Q

Q

C

P
x
R

G

D

G

P

Q

L

G

G

S

D

S
x
A

S
|
S

G

G

Q

R

R

R

E

R

F

Q

V

V

P

L

V

D

L

L

A

A

R

R

A

A

A

G

V

I

A

A

V

V

G

G

V

I

A

A

A

G

V

L

F

F

I

L

E

E

T

A

H

H

P

P

D

D

P

P

D

D

K

R

A

A

P

R

S
x
C

D
|
D

G

G

P

P

N

S

M

A

V

L

P

P

L

L

S

H

Q

Q

L

L

E

E

A

G

L

L

I

L

T

S

T

Q

L

M

Q

K

A

A

F

I

D

D

A

D

V

L

A

V

K

K

A

R

N

M

P

P

binding arabinose-5-phosphate: N27 (≠ C38), K61 (= K72), N63 (= N74), R64 (= R75), S65 (≠ T76), H203 (= H213), Q206 (= Q216), R208 (≠ P218), A214 (≠ S224), S215 (= S225), C250 (≠ S260), D251 (= D261)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K56 (= K67), K61 (= K72), N63 (= N74), R64 (= R75), S65 (≠ T76), K139 (= K150), H203 (= H213), R208 (≠ P218), A214 (≠ S224), S215 (= S225), D251 (= D261)
binding phosphoenolpyruvate: K56 (= K67), Q114 (= Q125), P116 (= P127), A117 (= A128), K139 (= K150), R169 (= R180), H203 (= H213)

1pckA Aquifex aeolicus kdo8ps in complex with z-methyl-pep (see paper)
51% identity, 89% coverage: 33:292/292 of query aligns to 5:258/258 of 1pckA

query
sites
1pckA

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

A

E

H

L

A

L

L

L

E

K

V

V

A

G

S

E

A

E

L

I

K

K

E

R

I

L

T

S

R

E

R

K

-

F

R

K

G

E

I

V

G

E

L

F

I

V

F

F

K
|
K

T

S

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R

R

T

S

S

S

L

I

S

H

A

S

Q

F

R

R

G

G

L

H

G

G

L

L

E

E

A

Y

A

G

L

V

P

K

V

A

F

L

A

R

E

K

I

V

R

K

E

E

S

E

L

F

G

G

L

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

I

S

D

W

Q

Q

C

A

A

E

A

P

A

V

A

A

Q

E

A

V

V

A

D

D

V

I

L

I

Q
|
Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

I

L

A

A

R

K

T

T

G

G

K

R

T

A

V

V

N

N

V

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

A

K

N

N

V

V

N

E

K

K

L

L

T

K

G

F

A

G

G

G

N

A

G

K

R

E

V

I

L

Y

V

L

T

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

S

V

D

D

M

F

R

R

A

S

L

L

P

P

I

I

L

M

A

K

K

Q

T

-

G

W

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

Q

L

P

P

G

G

Q

L

G

-

S

-

G

-

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F

F

I

M

E

E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding 2-(phosphonooxy)butanoic acid: K40 (= K67), K45 (= K72), N47 (= N74), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213)

1jcxA Aquifex aeolicus kdo8p synthase in complex with api and cadmium (see paper)
50% identity, 89% coverage: 33:292/292 of query aligns to 5:255/255 of 1jcxA

query
sites
1jcxA

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

A

E

H

L

A

L

L

L

E

K

V

V

A

G

S

E

A

E

L

I

K

K

E

R

I

L

T

S

R

E

R

K

-

F

R

K

G

E

I

V

G

E

L

F

I

V

F

F

K
|
K

T

S

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

S

H

A

S

Q

F

R

R

G

G

L

H

G

G

L

L

E

E

A

Y

A

G

L

V

P

K

V

A

F

L

A

R

E

K

I

V

R

K

E

E

S

E

L

F

G

G

L

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

I

S

D

W

Q

Q

C

A

A

E

A

P

A

V

A

A

Q

E

A

V

V

A

D

D

V

I

L

I

Q
|
Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

I

L

A

A

R

K

T

T

G

G

K

R

T

A

V

V

N

N

V

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

A

K

N

N

V

V

N

E

K

K

L

L

T

K

G

F

A

G

G

G

N

A

G

K

R

E

V

I

L

Y

V

L

T

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

S

V

D

D

M

F

R

R

A

S

L

L

P

P

I

I

L

M

A

K

K

Q

T

-

G

W

A

A

P

K

V

V

V

I

F

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q
|
Q

Q

L

P

P

G

-

Q

-

G

-

S

-

G

-

G

G

Q

M

R

R

E

E

F

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

V

V

G

G

V

C

A

D

A

G

V

V

F
|
F

I

M

E
|
E

T

T

H

H

P

P

D

E

P

P

D

E

K

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

V

L

P

P

L

L

S

S

Q

Q

L

L

E

E

A

G

L

I

I

I

T

E

T

A

L

I

Q

L

A

E

F

I

D

R

A

E

V

V

A

A

K

S

A

K

N

Y

P

Y

V

E

T

T

I

I

binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: K40 (= K67), K45 (= K72), N47 (= N74), R48 (= R75), S49 (≠ T76), Q98 (= Q125), P100 (= P127), A101 (= A128), K123 (= K150), R153 (= R180), H184 (= H213), Q187 (= Q216), F211 (= F248), E213 (= E250)

1g7vA Crystal structures of kdo8p synthase in its binary complexes with the mechanism-based inhibitor (see paper)
44% identity, 95% coverage: 11:287/292 of query aligns to 3:276/284 of 1g7vA

query
sites
1g7vA

Q

Q

P

K

I

V

V

V

E

S

V

I

G

G

Q

D

D

-

V

-

D

-

L

-

V

I

R

N

I

V

G

A

N

N

G

D

L

L

P

P

L

F

A

V

L

L

I

F

A

G

G

G

P

M

C
x
N

Q

V

M

L

E

E

S

S

R

R

A

D

H

L

A

A

L

M

E

R

V

I

A

C

S

E

A

H

L

Y

K

V

E

T

I

V

T

T

R

Q

R

K

R

L

G

G

I

I

G

P

L

Y

I

V

F

F

K

K

T

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T

S

S

S

L

I

S

H

A

S

Q

Y

R

R

G

G

L

P

G

G

L

L

E

E

A

E

A

G

L

M

P

K

V

I

F

F

A

Q

E

E

I

L

R

K

E

Q

S

T

L

F

G

G

L

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

E

E

I

P

D

S

Q

Q

C

A

A

Q

A

P

A

V

A

A

Q

D

A

V

V

V

D

D

V

V

L

I

Q

Q

I

L

P

P

A

A

F
|
F

L

L

C

A

R

R

Q

Q

T

T

D

D

L

L

L

V

I

E

A

A

A

M

A

A

R

K

T

T

G

G

K

A

T

V

V

I

N

N

V

V

K

K

G

P

Q

Q

F

F

L

V

A

S

P

P

W

G

D

Q

M

M

A

G

N

N

V

I

V

V

N

D

K

K

L

F

T

K

G

E

A

G

G

G

N

N

G

E

R

K

V

V

L

I

V

L

T

C

E

D

R
|
R

G

G

V

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

S

V

D

D

M

M

R

L

A

G

L

F

P

S

I

I

L

M

A

K

K

K

T

V

T

S

G

G

-

N

A

S

P

P

V

V

V

I

F

F

D

D

A

V

T

T

H
|
H

S

A

V

L

Q
|
Q

Q

C

P

R

G

D

G

P

Q

F

G

G

S

A

S

S

G

G

Q

R

R

R

E

A

F

Q

V

V

P

A

V

E

L

L

A

A

R

R

A

A

A

G

V

M

A

A

V

V

G

G

V

L

A

A

A

G

V

L

F

F

I

I

E

E

T

A

H

H

P

P

D

D

P

P

D

E

K

H

A
|
A

P

K

S

C

D
|
D

G
|
G

P
|
P

N

S

M

A

V

L

P

P

L

L

S

A

Q

K

L

L

E

E

A

P

L

F

I

L

T

K

T

Q

L

M

Q

K

A

A

F

I

D

D

A

D

V

L

A

V

K

K

A

G

active site: N26 (≠ C38), K60 (= K72), D250 (= D261)
binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: N62 (= N74), R63 (= R75), F117 (= F129), R168 (= R180), H202 (= H213), Q205 (= Q216), A247 (= A258), G251 (= G262), P252 (= P263)

1g7uA Crystal structures of kdo8p synthase in its binary complex with substrate phosphoenol pyruvate (see paper)
44% identity, 95% coverage: 11:286/292 of query aligns to 3:275/284 of 1g7uA

query
sites
1g7uA

Q

Q

P

K

I

V

V

V

E

S

V

I

G

G

Q

D

D

-

V

-

D

-

L

-

V

I

R

N

I

V

G

A

N

N

G

D

L

L

P

P

L

F

A

V

L

L

I

F

A

G

G

G

P

M

C

N

Q

V

M

L

E

E

S

S

R

R

A

D

H

L

A

A

L

M

E

R

V

I

A

C

S

E

A

H

L

Y

K

V

E

T

I

V

T

T

R

Q

R

K

R

L

G

G

I

I

G

P

L

Y

I

V

F

F

K

K

T

A

S

S

F

F

D

D

K

K

A

A

N

N

R

R

T

S

S

S

L

I

S

H

A

S

Q

Y

R

R

G

G

L

P

G

G

L

L

E

E

A

E

A

G

L

M

P

K

V

I

F

F

A

Q

E

E

I

L

R

K

E

Q

S

T

L

F

G

G

L

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

E

E

I

P

D

S

Q

Q

C

A

A

Q

A

P

A

V

A

A

Q

D

A

V

V

V

D

D

V

V

L

I

Q

Q

I

L

P

P

A

A

F
|
F

L

L

C

A

R

R

Q

Q

T

T

D

D

L

L

L

V

I

E

A

A

A

M

A

A

R

K

T

T

G

G

K

A

T

V

V

I

N

N

V

V

K

K

G

P

Q

Q

F

F

L

V

A

S

P

P

W

G

D

Q

M

M

A

G

N

N

V

I

V

V

N

D

K

K

L

F

T

K

G

E

A

G

G

G

N

N

G

E

R

K

V

V

L

I

V

L

T

C

E

D

R
|
R

G

G

V

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

S

V

D

D

M

M

R

L

A

G

L

F

P

S

I

I

L

M

A

K

K

K

T

V

T

S

G

G

-

N

A

S

P

P

V

V

V

I

F

F

D

D

A

V

T

T

H
|
H

S

A

V

L

Q

Q

Q

C

P

R

G

D

G

P

Q

F

G

V

S

A

S

S

G

G

Q

R

R

R

E

A

F

Q

V

V

P

A

V

E

L

L

A

A

R

R

A

A

A

G

V

M

A

A

V

V

G

G

V

L

A

A

A

G

V

L

F

F

I

I

E

E

T

A

H

H

P

P

D

D

P

P

D

E

K

H

A

A

P

K

S

C

D

D

G

G

P

P

N

S

M

A

V

L

P

P

L

L

S

A

Q

K

L

L

E

E

A

P

L

F

I

L

T

K

T

Q

L

M

Q

K

A

A

F

I

D

D

A

D

V

L

A

V

K

K

binding phosphoenolpyruvate: F117 (= F129), R168 (= R180), H202 (= H213)

1x6uA Kdo8p synthase in it's binary complex with the product kdo8p (see paper)
43% identity, 95% coverage: 11:286/292 of query aligns to 3:263/272 of 1x6uA

query
sites
1x6uA

Q

Q

P

K

I

V

V

V

E

S

V

I

G

G

Q

D

D

-

V

-

D

-

L

-

V

I

R

N

I

V

G

A

N

N

G

D

L

L

P

P

L

F

A

V

L

L

I

F

A

G

G

G

P

M

C
x
N

Q

V

M

L

E

E

S

S

R

R

A

D

H

L

A

A

L

M

E

R

V

I

A

C

S

E

A

H

L

Y

K

V

E

T

I

V

T

T

R

Q

R

K

R

L

G

G

I

I

G

P

L

Y

I

V

F

F

K
|
K

T

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R

R

T

S

S

S

L

I

S

H

A

S

Q

Y

R

R

G

G

L

P

G

G

L

L

E

E

A

E

A

G

L

M

P

K

V

I

F

F

A

Q

E

E

I

L

R

K

E

Q

S

T

L

F

G

G

L

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

E

E

I

P

D

S

Q

Q

C

A

A

Q

A

P

A

V

A

A

Q

D

A

V

V

V

D

D

V

V

L

I

Q
|
Q

I

L

P

P

A

A

F
|
F

L

L

C

A

R

R

Q

Q

T

T

D

D

L

L

L

V

I

E

A

A

A

M

A

A

R

K

T

T

G

G

K

A

T

V

V

I

N

N

V

V

K
|
K

K

K

G

P

Q

Q

F

F

L

V

A

S

P

P

W

G

D

Q

M

M

A

G

N

N

V

I

V

V

N

D

K

K

L

F

T

K

G

E

A

G

G

G

N

N

G

E

R

K

V

V

L

I

V

L

T

C

E

D

R

R

G

G

V

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

S

V

D

D

M

M

R

L

A

G

L

F

P

S

I

I

L

M

A

K

K

K

T

V

T

S

G

G

-

N

A

S

P

P

V

V

V

I

F

F

D
|
D

A

V

T

T

H
|
H

S

A

V

L

Q

-

P

-

G

-

Q

-

G

-

S

-

G

-

Q

Q

R

R

E

A

F

Q

V

V

P

A

V

E

L

L

A

A

R

R

A

A

A

G

V

M

A

A

V

V

G

G

V

L

A

A

A

G

V

L

F
|
F

I

I

E
|
E

T

A

H

H

P

P

D

D

P

P

D

E

K

H

A

A

P

K

S

C

D
|
D

G

G

P
|
P

N

S

M

A

V

L

P

P

L

L

S

A

Q

K

L

L

E

E

A

P

L

F

I

L

T

K

T

Q

L

M

Q

K

A

A

F

I

D

D

A

D

V

L

A

V

K

K

active site: N26 (≠ C38), K60 (= K72), D238 (= D261)
binding 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid: N26 (≠ C38), K55 (= K67), N62 (= N74), Q113 (= Q125), F117 (= F129), K138 (= K150), D199 (= D210), H202 (= H213), F225 (= F248), E227 (= E250), P240 (= P263)

1phwA Crystal structure of kdo8p synthase in its binary complex with substrate analog 1-deoxy-a5p (see paper)
43% identity, 95% coverage: 11:286/292 of query aligns to 3:263/272 of 1phwA

query
sites
1phwA

Q

Q

P

K

I

V

V

V

E

S

V

I

G

G

Q

D

D

-

V

-

D

-

L

-

V

I

R

N

I

V

G

A

N

N

G

D

L

L

P

P

L

F

A

V

L

L

I

F

A

G

G

G

P

M

C
x
N

Q

V

M

L

E

E

S

S

R

R

A

D

H

L

A

A

L

M

E

R

V

I

A

C

S

E

A

H

L

Y

K

V

E

T

I

V

T

T

R

Q

R

K

R

L

G

G

I

I

G

P

L

Y

I

V

F

F

K

K

T

A

S

S

F

F

D

D

K
|
K

A

A

N

N

R

R

T

S

S

S

L

I

S

H

A

S

Q

Y

R

R

G

G

L

P

G

G

L

L

E

E

A

E

A

G

L

M

P

K

V

I

F

F

A

Q

E

E

I

L

R

K

E

Q

S

T

L

F