SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_078716682.1 NCBI__GCF_900167125.1:WP_078716682.1 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)
56% identity, 93% coverage: 12:259/268 of query aligns to 2:249/263 of 3e0iA

query
sites
3e0iA

Q

K

F

F

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x
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binding copper (ii) ion: C10 (= C20), H184 (= H194), E221 (= E231)
binding phosphoenolpyruvate: K40 (= K49), K45 (= K54), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194)
binding phosphate ion: R48 (= R57), S49 (≠ T58), K195 (≠ C205), S196 (= S206)

2a21A Aquifex aeolicus kdo8ps in complex with pep, po4, and zn2+ (see paper)
56% identity, 93% coverage: 12:259/268 of query aligns to 2:249/263 of 2a21A

query
sites
2a21A

Q

K

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binding phosphoenolpyruvate: K40 (= K49), K45 (= K54), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194)
binding phosphate ion: R48 (= R57), S49 (≠ T58), S196 (= S206)
binding zinc ion: C10 (= C20), H184 (= H194), E221 (= E231), D232 (= D242)

1jcyA Aquifex aeolicus kdo8p synthase in complex with r5p, pep and cadmium (see paper)
56% identity, 93% coverage: 12:259/268 of query aligns to 2:249/263 of 1jcyA

query
sites
1jcyA

Q

K

F

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K

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D

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R
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R

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x
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binding phosphoenolpyruvate: K40 (= K49), K45 (= K54), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194)
binding ribose-5-phosphate: N47 (= N56), R48 (= R57), S49 (≠ T58), H184 (= H194), Q187 (= Q197), S196 (= S206)

1fwwA Aquifex aeolicus kdo8p synthase in complex with pep, a5p and cadmium (see paper)
56% identity, 93% coverage: 12:259/268 of query aligns to 2:249/263 of 1fwwA

query
sites
1fwwA

Q

K

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L

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R

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A

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A

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I

binding arabinose-5-phosphate: N47 (= N56), R48 (= R57), S49 (≠ T58), H184 (= H194), S196 (= S206), D232 (= D242)
binding phosphoenolpyruvate: K40 (= K49), K45 (= K54), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194)

1fwtA Aquifex aeolicus kdo8p synthase in complex with pep, e4p and cadmium (see paper)
56% identity, 93% coverage: 12:259/268 of query aligns to 2:249/263 of 1fwtA

query
sites
1fwtA

Q

K

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A

L

L

C

S

D

D

G

A

P

S

N

T

S

Q

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding erythose-4-phosphate: N47 (= N56), R48 (= R57), S49 (≠ T58), S196 (= S206)
binding phosphoenolpyruvate: K40 (= K49), K45 (= K54), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194)

2nx3D Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
56% identity, 93% coverage: 12:259/268 of query aligns to 1:248/262 of 2nx3D

query
sites
2nx3D

Q

K

F

F

F

L

V

V

M

I

T

A

G

G

P

P

C
x
N

A

A

L

I

E

E

S

S

R

E

E

E

L

L

A

L

L

L

A

K

T

V

A

G

R

E

E

E

L

I

A

K

R

R

I

L

A

S

E

E

E

K

L

F

-

K

D

E

I

V

P

E

L

F

I

V

F

F

K

K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

T

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

R

E

R

Y

G

G

L

V

D

K

W

A

L

L

A

R

E

K

I

V

K

K

D

E

A

E

T

F

G

G

L

L

P

K

V

I

V

T

T

T

D

D

I

I

H

H

L

E

P

S

E

W

Q

Q

A

A

E

E

R

P

V

V

A

A

E

E

V

V

A

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

V

L

A

A

K

K

T

T

N

G

R

R

I

A

I

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

R

K

H

N

A

V

L

V

D

E

K

K

L

L

R

K

D

F

S

G

G

G

N

A

T

K

D

E

V

I

W

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

L

L

V

V

D

D

M

F

R

R

S

S

I

L

P

P

E

I

M

M

Q

K

N

Q

L

W

G

A

V

-

P

K

V

V

V

I

M

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

L

L

P

P

G

G

Q

L

G

G

G

D

C
x
K

S
|
S

G

G

Q

M

R

R

Q

E

Y

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

A

V

G

G

A

C

D

D

G

G

V

V

F

F

L

M

E

E

V

T

H

H

P

P

D

E

P

P

D

E

S

K

A

A

L

L

C

S

D
|
D

G

A

P

P

N

T

S

A

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid: N9 (≠ C20), K44 (= K54), N46 (= N56), R47 (= R57), S48 (≠ T58), Q97 (= Q107), P99 (= P109), A100 (= A110), K122 (= K132), R152 (= R162), H183 (= H194), K194 (≠ C205), S195 (= S206), D231 (= D242)

2nx1A Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
55% identity, 93% coverage: 12:259/268 of query aligns to 2:249/263 of 2nx1A

query
sites
2nx1A

Q

K

F

F

F

L

V

V

M

I

T

A

G

G

P

P

C

N

A

A

L

I

E

E

S

S

R

E

E

E

L

L

A

L

L

L

A

K

T

V

A

G

R

E

E

E

L

I

A

K

R

R

I

L

A

S

E

E

E

K

L

F

-

K

D

E

I

V

P

E

L

F

I

V

F

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

T

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

R

E

R

Y

G

G

L

V

D

K

W

A

L

L

A

R

E

K

I

V

K

K

D

E

A

E

T

F

G

G

L

L

P

K

V

I

V

T

T

T

D

D

I

I

H

H

L

E

P

S

E

W

Q

Q

A

A

E

E

R

P

V

V

A

A

E

E

V

V

A

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

V

L

A

A

K

K

T

T

N

G

R

R

I

A

I

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

R

K

H

N

A

V

L

V

D

E

K

K

L

L

R

K

D

F

S

G

G

G

N

A

T

K

D

E

V

I

W

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

L

L

V

V

D

D

M

F

R

R

S

S

I

L

P

P

E

I

M

M

Q

K

N

Q

L

W

G

A

V

-

P

K

V

V

V

I

M

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

L

L

P

P

G

G

Q

L

G

G

G

D

C

K

S
|
S

G

G

Q

M

R

R

Q

E

Y

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

A

V

G

G

A

C

D

D

G

G

V

V

F

F

L

M

E

E

V

T

H

H

P

P

D

E

P

P

D

E

S

K

A

A

L

L

C

S

D
|
D

G

A

P

S

N

T

S

Q

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding phosphoenolpyruvate: K40 (= K49), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194)
binding 5-O-phosphono-beta-D-ribofuranose: K45 (= K54), N47 (= N56), R48 (= R57), S49 (≠ T58), S196 (= S206), D232 (= D242)

3e12A Cu2+ substituted aquifex aeolicus kdo8ps in complex with kdo8p (see paper)
55% identity, 93% coverage: 12:259/268 of query aligns to 2:244/258 of 3e12A

query
sites
3e12A

Q

K

F

F

F

L

V

V

M

I

T

A

G

G

P

P

C
|
C

A

A

L

I

E

E

S

S

R

E

E

E

L

L

A

L

L

L

A

K

T

V

A

G

R

E

E

E

L

I

A

K

R

R

I

L

A

S

E

E

E

K

L

F

-

K

D

E

I

V

P

E

L

F

I

V

F

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

T

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

R

E

R

Y

G

G

L

V

D

K

W

A

L

L

A

R

E

K

I

V

K

K

D

E

A

E

T

F

G

G

L

L

P

K

V

I

V

T

T

T

D

D

I

I

H

H

L

E

P

S

E

W

Q

Q

A

A

E

E

R

P

V

V

A

A

E

E

V

V

A

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

V

L

A

A

K

K

T

T

N

G

R

R

I

A

I

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

R

K

H

N

A

V

L

V

D

E

K

K

L

L

R

K

D

F

S

G

G

G

N

A

T

K

D

E

V

I

W

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

L

L

V

V

D

D

M

F

R

R

S

S

I

L

P

P

E

I

M

M

Q

K

N

Q

L

W

G

A

V

-

P

K

V

V

V

I

M

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

L

L

P

P

G

G

Q

-

G

-

C

-

S

-

G

G

Q

M

R

R

Q

E

Y

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

A

V

G

G

A

C

D

D

G

G

V

V

F

F

L

M

E
|
E

V

T

H

H

P

P

D

E

P

P

D

E

S

K

A

A

L

L

C

S

D
|
D

G

A

P

S

N

T

S

Q

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding copper (ii) ion: C10 (= C20), H184 (= H194), E216 (= E231), D227 (= D242)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K40 (= K49), K45 (= K54), N47 (= N56), R48 (= R57), S49 (≠ T58), Q98 (= Q107), K123 (= K132), H184 (= H194), D227 (= D242)
binding phosphate ion: P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162)

1pe1A Aquifex aeolicus kdo8ps in complex with cadmium and 2-pga (see paper)
55% identity, 93% coverage: 12:259/268 of query aligns to 3:244/258 of 1pe1A

query
sites
1pe1A

Q

K

F

F

F

L

V

V

M

I

T

A

G

G

P

P

C

C

A

A

L

I

E

E

S

S

R

E

E

E

L

L

A

L

L

L

A

K

T

V

A

G

R

E

E

E

L

I

A

K

R

R

I

L

A

S

E

E

E

K

L

F

-

K

D

E

I

V

P

E

L

F

I

V

F

F

K
|
K

S

S

F

F

D

D

K

K

A

A

N

N

R

R

T

S

S

S

L

I

T

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

R

E

R

Y

G

G

L

V

D

K

W

A

L

L

A

R

E

K

I

V

K

K

D

E

A

E

T

F

G

G

L

L

P

K

V

I

V

T

T

T

D
|
D

I

I

H

H

L

E

P

S

E

W

Q

Q

A

A

E

E

R

P

V

V

A

A

E

E

V

V

A

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

V

L

A

A

K

K

T

T

N

G

R

R

I

A

I

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

R

K

H

N

A

V

L

V

D

E

K

K

L

L

R

K

D

F

S

G

G

G

N

A

T

K

D

E

V

I

W

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

L

L

V

V

D

D

M

F

R

R

S

S

I

L

P

P

E

I

M

M

Q

K

N

Q

L

W

G

A

V

-

P

K

V

V

V

I

M

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

L

L

P

P

G

G

G

-

Q

-

G

-

C

-

S

-

G

G

Q

M

R

R

Q

E

Y

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

A

V

G

G

A

C

D

D

G

G

V

V

F

F

L

M

E

E

V

T

H

H

P

P

D

E

P

P

D

E

S

K

A

A

L

L

C

S

D

D

G

A

P

S

N

T

S

Q

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding 2-phosphoglyceric acid: K41 (= K49), D81 (= D89), Q99 (= Q107), P101 (= P109), A102 (= A110), K124 (= K132), R154 (= R162), H185 (= H194)

1pcwA Aquifex aeolicus kdo8ps in complex with cadmium and app, a bisubstrate inhibitor (see paper)
55% identity, 93% coverage: 12:259/268 of query aligns to 2:243/257 of 1pcwA

query
sites
1pcwA

Q

K

F

F

F

L

V

V

M

I

T

A

G

G

P

P

C

C

A

A

L

I

E

E

S

S

R

E

E

E

L

L

A

L

L

L

A

K

T

V

A

G

R

E

E

E

L

I

A

K

R

R

I

L

A

S

E

E

E

K

L

F

-

K

D

E

I

V

P

E

L

F

I

V

F

F

K

K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

T

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

R

E

R

Y

G

G

L

V

D

K

W

A

L

L

A

R

E

K

I

V

K

K

D

E

A

E

T

F

G

G

L

L

P

K

V

I

V

T

T

T

D

D

I

I

H

H

L

E

P

S

E

W

Q

Q

A

A

E

E

R

P

V

V

A

A

E

E

V

V

A

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

V

L

A

A

K

K

T

T

N

G

R

R

I

A

I

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

R

K

H

N

A

V

L

V

D

E

K

K

L

L

R

K

D

F

S

G

G

G

N

A

T

K

D

E

V

I

W

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

L

L

V

V

D

D

M

F

R

R

S

S

I

L

P

P

E

I

M

M

Q

K

N

Q

L

W

G

A

V

-

P

K

V

V

V

I

M

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q
|
Q

L

L

P

P

G

G

G

-

Q

-

G

-

C

-

S

-

G

G

Q

M

R

R

Q

E

Y

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

A

V

G

G

A

C

D

D

G

G

V

V

F

F

L

M

E

E

V

T

H

H

P

P

D

E

P

P

D

E

S

K

A

A

L

L

C

S

D
|
D

G

A

P

S

N

T

S

Q

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol: K45 (= K54), N47 (= N56), R48 (= R57), S49 (≠ T58), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194), Q187 (= Q197), D226 (= D242)

1pckA Aquifex aeolicus kdo8ps in complex with z-methyl-pep (see paper)
55% identity, 93% coverage: 12:259/268 of query aligns to 2:244/258 of 1pckA

query
sites
1pckA

Q

K

F

F

F

L

V

V

M

I

T

A

G

G

P

P

C

C

A

A

L

I

E

E

S

S

R

E

E

E

L

L

A

L

L

L

A

K

T

V

A

G

R

E

E

E

L

I

A

K

R

R

I

L

A

S

E

E

E

K

L

F

-

K

D

E

I

V

P

E

L

F

I

V

F

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R

R

T

S

S

S

L

I

T

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

R

E

R

Y

G

G

L

V

D

K

W

A

L

L

A

R

E

K

I

V

K

K

D

E

A

E

T

F

G

G

L

L

P

K

V

I

V

T

T

T

D

D

I

I

H

H

L

E

P

S

E

W

Q

Q

A

A

E

E

R

P

V

V

A

A

E

E

V

V

A

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

V

L

A

A

K

K

T

T

N

G

R

R

I

A

I

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

R

K

H

N

A

V

L

V

D

E

K

K

L

L

R

K

D

F

S

G

G

G

N

A

T

K

D

E

V

I

W

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

L

L

V

V

D

D

M

F

R

R

S

S

I

L

P

P

E

I

M

M

Q

K

N

Q

L

W

G

A

V

-

P

K

V

V

V

I

M

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q

Q

L

L

P

P

G

G

Q

L

G

-

C

-

S

-

G

-

G

G

Q

M

R

R

Q

E

Y

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

A

V

G

G

A

C

D

D

G

G

V

V

F

F

L

M

E

E

V

T

H

H

P

P

D

E

P

P

D

E

S

K

A

A

L

L

C

S

D

D

G

A

P

S

N

T

S

Q

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding 2-(phosphonooxy)butanoic acid: K40 (= K49), K45 (= K54), N47 (= N56), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194)

1jcxA Aquifex aeolicus kdo8p synthase in complex with api and cadmium (see paper)
54% identity, 93% coverage: 12:259/268 of query aligns to 2:241/255 of 1jcxA

query
sites
1jcxA

Q

K

F

F

F

L

V

V

M

I

T

A

G

G

P

P

C

C

A

A

L

I

E

E

S

S

R

E

E

E

L

L

A

L

L

L

A

K

T

V

A

G

R

E

E

E

L

I

A

K

R

R

I

L

A

S

E

E

E

K

L

F

-

K

D

E

I

V

P

E

L

F

I

V

F

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

T

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

R

E

R

Y

G

G

L

V

D

K

W

A

L

L

A

R

E

K

I

V

K

K

D

E

A

E

T

F

G

G

L

L

P

K

V

I

V

T

T

T

D

D

I

I

H

H

L

E

P

S

E

W

Q

Q

A

A

E

E

R

P

V

V

A

A

E

E

V

V

A

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

V

L

A

A

K

K

T

T

N

G

R

R

I

A

I

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

R

K

H

N

A

V

L

V

D

E

K

K

L

L

R

K

D

F

S

G

G

G

N

A

T

K

D

E

V

I

W

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

L

L

V

V

D

D

M

F

R

R

S

S

I

L

P

P

E

I

M

M

Q

K

N

Q

L

W

G

A

V

-

P

K

V

V

V

I

M

Y

D

D

A

A

T

T

H
|
H

S

S

V

V

Q
|
Q

L

L

P

P

G

-

Q

-

G

-

C

-

S

-

G

-

G

G

Q

M

R

R

Q

E

Y

F

V

I

P

F

V

P

L

L

A

I

R

R

A

A

V

V

A

A

A

V

G

G

A

C

D

D

G

G

V

V

F
|
F

L

M

E
|
E

V

T

H

H

P

P

D

E

P

P

D

E

S

K

A

A

L

L

C

S

D

D

G

A

P

S

N

T

S

Q

W

L

P

P

L

L

G

S

Q

Q

T

L

R

E

E

G

L

I

A

E

T

A

L

I

binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: K40 (= K49), K45 (= K54), N47 (= N56), R48 (= R57), S49 (≠ T58), Q98 (= Q107), P100 (= P109), A101 (= A110), K123 (= K132), R153 (= R162), H184 (= H194), Q187 (= Q197), F211 (= F229), E213 (= E231)

3undB Substrate-bound crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from burkholderia pseudomallei (see paper)
50% identity, 95% coverage: 13:266/268 of query aligns to 20:275/284 of 3undB

query
sites
3undB

F

F

F

V

V

L

M

F

T

G

G

G

P

I

C
x
N

A

V

L

L

E

E

S

S

R

L

E

D

L

F

A

T

L

L

A

D

T

V

A

C

R

G

E

E

L

Y

A

V

R

A

I

V

A

T

E

R

E

K

L

L

D

G

I

I

P

P

L

F

I

V

F

F

K
|
K

S

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T
x
S

S

S

L

I

T

H

S

S

F

Y

R

R

G

G

P

V

G

G

L

L

R

D

R

E

G

G

L

L

D

K

W

I

L

F

A

A

E

E

I

V

K

K

D

A

A

R

T

F

G

G

L

V

P

P

V

V

V

I

T

T

D

D

I

V

H

H

L

E

P

A

E

E

Q

Q

A

A

E

A

R

P

V

V

A

A

E

E

V

I

A

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

V

V

A

A

A

I

A

A

K

K

T

A

N

G

R

K

I

P

I

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

R

K

H

H

A

V

L

V

D

S

K

K

L

C

R

G

D

E

S

V

G

G

N

N

T

D

D

R

V

V

W

M

L

L

T

C

E

E

R
|
R

G

G

A

S

S

S

F

F

G

G

Y

Y

N

D

N

N

L

L

V

V

D

D

M

M

R

L

S

G

I

F

P

R

E

Q

M

M

Q

A

N

E

L

T

-

T

-

G

G

G

V

C

P

P

V

V

V

I

M

F

D

D

A

V

T

T

H
|
H

S

S

V

L

Q
|
Q

L

C

P
x
R

G

D

G

P

Q

L

G

G

G

D

C
x
A

S
|
S

G

G

Q

R

R

R

Q

R

Y

Q

V

V

P

L

V

D

L

L

A

A

R

R

A

A

A

G

V

I

A

A

A

V

G

G

A

I

D

A

G

G

V

L

F

F

L

L

E

E

V

A

H

H

P

P

D

D

P

P

D

D

S

R

A

A

L

R

C
|
C

D
|
D

G

G

P

P

N

S

S

A

W

L

P

P

L

L

G

H

Q

Q

T

L

R

E

E

G

L

L

A

S

T

Q

L

M

R

K

S

A

L

I

W

D

S

D

L

L

T

V

binding arabinose-5-phosphate: N27 (≠ C20), K61 (= K54), N63 (= N56), R64 (= R57), S65 (≠ T58), H203 (= H194), Q206 (= Q197), R208 (≠ P199), A214 (≠ C205), S215 (= S206), C250 (= C241), D251 (= D242)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K56 (= K49), K61 (= K54), N63 (= N56), R64 (= R57), S65 (≠ T58), K139 (= K132), H203 (= H194), R208 (≠ P199), A214 (≠ C205), S215 (= S206), D251 (= D242)
binding phosphoenolpyruvate: K56 (= K49), Q114 (= Q107), P116 (= P109), A117 (= A110), K139 (= K132), R169 (= R162), H203 (= H194)

1g7vA Crystal structures of kdo8p synthase in its binary complexes with the mechanism-based inhibitor (see paper)
46% identity, 95% coverage: 13:266/268 of query aligns to 19:274/284 of 1g7vA

query
sites
1g7vA

F

F

F

V

V

L

M

F

T

G

G

G

P

M

C
x
N

A

V

L

L

E

E

S

S

R

R

E

D

L

L

A

A

L

M

A

R

T

I

A

C

R

E

E

H

L

Y

A

V

R

T

I

V

A

T

E

Q

E

K

L

L

D

G

I

I

P

P

L

Y

I

V

F

F

K

K

S

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

T

S

S

S

L

I

T

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

R

E

G

G

L

M

D

K

W

I

L

F

A

Q

E

E

I

L

K

K

D

Q

A

T

T

F

G

G

L

V

P

K

V

I

T

T

D

D

I

V

H

H

L

E

P

P

E

S

Q

Q

A

A

E

Q

R

P

V

V

A

A

E

D

V

V

A

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

V

E

A

A

A

M

A

A

K

K

T

T

N

G

R

A

I

V

I

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

R

G

H

N

A

I

L

V

D

D

K

K

L

F

R

K

D

E

S

G

G

G

N

N

T

E

D

K

V

V

W

I

L

L

T

C

E

D

R
|
R

G

G

A

A

S

N

F

F

G

G

Y

Y

N

D

N

N

L

L

V

V

D

D

M

M

R

L

S

G

I

F

P

S

E

I

M

M

Q

K

N

K

L

V

-

S

-

G

G

N

V

S

P

P

V

V

V

I

M

F

D

D

A

V

T

T

H
|
H

S

A

V

L

Q
|
Q

L

C

P

R

G

D

G

P

Q

F

G

G

G

A

C

A

S

S

G

G

Q

R

R

R

Q

A

Y

Q

V

V

P

A

V

E

L

L

A

A

R

R

A

A

A

G

V

M

A

A

A

V

G

G

A

L

D

A

G

G

V

L

F

F

L

I

E

E

V

A

H

H

P

P

D

D

P

P

D

E

S

H

A
|
A

L

K

C

C

D
|
D

G
|
G

P
|
P

N

S

S

A

W

L

P

P

L

L

G

A

Q

K

T

L

R

E

E

P

L

F

L

L

A

K

T

Q

L

M

R

K

S

A

L

I

W

D

S

D

L

L

T

V

active site: N26 (≠ C20), K60 (= K54), D250 (= D242)
binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: N62 (= N56), R63 (= R57), F117 (= F111), R168 (= R162), H202 (= H194), Q205 (= Q197), A247 (= A239), G251 (= G243), P252 (= P244)

1g7uA Crystal structures of kdo8p synthase in its binary complex with substrate phosphoenol pyruvate (see paper)
46% identity, 95% coverage: 13:266/268 of query aligns to 19:274/284 of 1g7uA

query
sites
1g7uA

F

F

F

V

V

L

M

F

T

G

G

G

P

M

C

N

A

V

L

L

E

E

S

S

R

R

E

D

L

L

A

A

L

M

A

R

T

I

A

C

R

E

E

H

L

Y

A

V

R

T

I

V

A

T

E

Q

E

K

L

L

D

G

I

I

P

P

L

Y

I

V

F

F

K

K

S

A

S

S

F

F

D

D

K

K

A

A

N

N

R

R

T

S

S

S

L

I

T

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

R

E

G

G

L

M

D

K

W

I

L

F

A

Q

E

E

I

L

K

K

D

Q

A

T

T

F

G

G

L

V

P

K

V

I

T

T

D

D

I

V

H

H

L

E

P

P

E

S

Q

Q

A

A

E

Q

R

P

V

V

A

A

E

D

V

V

A

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

V

E

A

A

A

M

A

A

K

K

T

T

N

G

R

A

I

V

I

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

R

G

H

N

A

I

L

V

D

D

K

K

L

F

R

K

D

E

S

G

G

G

N

N

T

E

D

K

V

V

W

I

L

L

T

C

E

D

R
|
R

G

G

A

A

S

N

F

F

G

G

Y

Y

N

D

N

N

L

L

V

V

D

D

M

M

R

L

S

G

I

F

P

S

E

I

M

M

Q

K

N

K

L

V

-

S

-

G

G

N

V

S

P

P

V

V

V

I

M

F

D

D

A

V

T

T

H
|
H

S

A

V

L

Q

Q

L

C

P

R

G

D

G

P

Q

F

G

V

G

A

C

A

S

S

G

G

Q

R

R

R

Q

A

Y

Q

V

V

P

A

V

E

L

L

A

A

R

R

A

A

A

G

V

M

A

A

A

V

G

G

A

L

D

A

G

G

V

L

F

F

L

I

E

E

V

A

H

H

P

P

D

D

P

P

D

E

S

H

A

A

L

K

C

C

D

D

G

G

P

P

N

S

S

A

W

L

P

P

L

L

G

A

Q

K

T

L

R

E

E

P

L

F

L

L

A

K

T

Q

L

M

R

K

S

A

L

I

W

D

S

D

L

L

T

V

binding phosphoenolpyruvate: F117 (= F111), R168 (= R162), H202 (= H194)

1gg0A Crystal structure analysis of kdop synthase at 3.0 a (see paper)
45% identity, 95% coverage: 13:266/268 of query aligns to 19:265/275 of 1gg0A

query
sites
1gg0A

F

F

F

V

V

L

M

F

T

G

G

G

P

M

C
x
N

A

V

L

L

E

E

S

S

R

R

E

D

L

L

A

A

L

M

A

R

T

I

A

C

R

E

E

H

L

Y

A

V

R

T

I

V

A

T

E

Q

E

K

L

L

D

G

I

I

P

P

L

Y

I

V

F

F

K

K

S

A

S

S

F

F

D

D

K
|
K

A

A

N

N

R

R

T

S

S

S

L

I

T

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

R

E

G

G

L

M

D

K

W

I

L

F

A

Q

E

E

I

L

K

K

D

Q

A

T

T

F

G

G

L

V

P

K

V

I

T

T

D

D

I

V

H

H

L

E

P

P

E

S

Q

Q

A

A

E

Q

R

P

V

V

A

A

E

D

V

V

A

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

V

E

A

A

A

M

A

A

K

K

T

T

N

G

R

A

I

V

I

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

R

G

H

N

A

I

L

V

D

D

K

K

L

F

R

K

D

E

S

G

G

G

N

N

T

E

D

K

V

V

W

I

L

L

T

C

E

D

R
|
R

G

G

A

A

S

N

F

F

G

G

Y

Y

N

D

N

N

L

L

V

V

D

D

M

M

R

L

S

G

I

F

P

S

E

I

M

M

Q

K

N

K

L

V

-

S

-

G

G

N

V

S

P

P

V

V

V

I

M

F

D

D

A

V

T

T

H

H

S

A

V

L

Q

Q

L

-

P

-

G

-

Q

-

G

-

C

C

S

R

G

-

Q

R

R

R

Q

A

Y

Q

V

V

P

A

V

E

L

L

A

A

R

R

A

A

A

G

V

M

A

A

A

V

G

G

A

L

D

A

G

G

V

L

F

F

L

I

E

E

V

A

H

H

P

P

D

D

P

P

D

E

S

H

A

A

L

K

C

C

D
|
D

G

G

P

P

N

S

S

A

W

L

P

P

L

L

G

A

Q

K

T

L

R

E

E

P

L

F

L

L

A

K

T

Q

L

M

R

K

S

A

L

I

W

D

S

D

L

L

T

V

active site: N26 (≠ C20), K60 (= K54), D241 (= D242)
binding phosphate ion: A116 (= A110), K138 (= K132), R168 (= R162)

1x6uA Kdo8p synthase in it's binary complex with the product kdo8p (see paper)
45% identity, 95% coverage: 13:266/268 of query aligns to 19:262/272 of 1x6uA

query
sites
1x6uA

F

F

F

V

V

L

M

F

T

G

G

G

P

M

C
x
N

A

V

L

L

E

E

S

S

R

R

E

D

L

L

A

A

L

M

A

R

T

I

A

C

R

E

E

H

L

Y

A

V

R

T

I

V

A

T

E

Q

E

K

L

L

D

G

I

I

P

P

L

Y

I

V

F

F

K
|
K

S

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R

R

T

S

S

S

L

I

T

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

R

E

G

G

L

M

D

K

W

I

L

F

A

Q

E

E

I

L

K

K

D

Q

A

T

T

F

G

G

L

V

P

K

V

I

T

T

D

D

I

V

H

H

L

E

P

P

E

S

Q

Q

A

A

E

Q

R

P

V

V

A

A

E

D

V

V

A

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

V

E

A

A

A

M

A

A

K

K

T

T

N

G

R

A

I

V

I

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

R

G

H

N

A

I

L

V

D

D

K

K

L

F

R

K

D

E

S

G

G

G

N

N

T

E

D

K

V

V

W

I

L

L

T

C

E

D

R

R

G

G

A

A

S

N

F

F

G

G

Y

Y

N

D

N

N

L

L

V

V

D

D

M

M

R

L

S

G

I

F

P

S

E

I

M

M

Q

K

N

K

L

V

-

S

-

G

G

N

V

S

P

P

V

V

V

I

M

F

D
|
D

A

V

T

T

H
|
H

S

A

V

L

Q

-

L

-

P

-

G

-

Q

-

G

-

C

-

S

-

G

-

Q

Q

R

R

Q

A

Y

Q

V

V

P

A

V

E

L

L

A

A

R

R

A

A

A

G

V

M

A

A

A

V

G

G

A

L

D

A

G

G

V

L

F
|
F

L

I

E
|
E

V

A

H

H

P

P

D

D

P

P

D

E

S

H

A

A

L

K

C

C

D
|
D

G

G

P
|
P

N

S

S

A

W

L

P

P

L

L

G

A

Q

K

T

L

R

E

E

P

L

F

L

L

A

K

T

Q

L

M

R

K

S

A

L

I

W

D

S

D

L

L

T

V

active site: N26 (≠ C20), K60 (= K54), D238 (= D242)
binding 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid: N26 (≠ C20), K55 (= K49), N62 (= N56), Q113 (= Q107), F117 (= F111), K138 (= K132), D199 (= D191), H202 (= H194), F225 (= F229), E227 (= E231), P240 (= P244)

1phwA Crystal structure of kdo8p synthase in its binary complex with substrate analog 1-deoxy-a5p (see paper)
45% identity, 95% coverage: 13:266/268 of query aligns to 19:262/272 of 1phwA

query
sites
1phwA

F

F

F

V

V

L

M

F

T

G

G

G

P

M

C
x
N

A

V

L

L

E

E

S

S

R

R

E

D

L

L

A

A

L

M

A

R

T

I

A

C

R

E

E

H

L

Y

A

V

R

T

I

V

A

T

E

Q

E

K

L

L

D

G

I

I

P

P

L

Y

I

V

F

F

K

K

S

A