SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011389639.1 NCBI__GCF_000013085.1:WP_011389639.1 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)
50% identity, 94% coverage: 19:280/280 of query aligns to 3:263/263 of 3e0iA

query
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3e0iA

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binding copper (ii) ion: C10 (= C26), H184 (= H201), E221 (= E238)
binding phosphoenolpyruvate: K40 (= K55), K45 (= K60), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201)
binding phosphate ion: R48 (= R63), S49 (≠ T64), K195 (≠ S212), S196 (= S213)

2a21A Aquifex aeolicus kdo8ps in complex with pep, po4, and zn2+ (see paper)
50% identity, 94% coverage: 19:280/280 of query aligns to 3:263/263 of 2a21A

query
sites
2a21A

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binding phosphoenolpyruvate: K40 (= K55), K45 (= K60), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201)
binding phosphate ion: R48 (= R63), S49 (≠ T64), S196 (= S213)
binding zinc ion: C10 (= C26), H184 (= H201), E221 (= E238), D232 (= D249)

1jcyA Aquifex aeolicus kdo8p synthase in complex with r5p, pep and cadmium (see paper)
50% identity, 94% coverage: 19:280/280 of query aligns to 3:263/263 of 1jcyA

query
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1jcyA

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binding phosphoenolpyruvate: K40 (= K55), K45 (= K60), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201)
binding ribose-5-phosphate: N47 (= N62), R48 (= R63), S49 (≠ T64), H184 (= H201), Q187 (= Q204), S196 (= S213)

1fwwA Aquifex aeolicus kdo8p synthase in complex with pep, a5p and cadmium (see paper)
50% identity, 94% coverage: 19:280/280 of query aligns to 3:263/263 of 1fwwA

query
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binding arabinose-5-phosphate: N47 (= N62), R48 (= R63), S49 (≠ T64), H184 (= H201), S196 (= S213), D232 (= D249)
binding phosphoenolpyruvate: K40 (= K55), K45 (= K60), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201)

1fwtA Aquifex aeolicus kdo8p synthase in complex with pep, e4p and cadmium (see paper)
50% identity, 94% coverage: 19:280/280 of query aligns to 3:263/263 of 1fwtA

query
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1fwtA

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Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

G

D

S

K

S
|
S

G

G

Q

M

R

R

E

E

F

F

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F

F

L

M

E

E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding erythose-4-phosphate: N47 (= N62), R48 (= R63), S49 (≠ T64), S196 (= S213)
binding phosphoenolpyruvate: K40 (= K55), K45 (= K60), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201)

3undB Substrate-bound crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from burkholderia pseudomallei (see paper)
49% identity, 98% coverage: 5:277/280 of query aligns to 5:279/284 of 3undB

query
sites
3undB

H

N

V

V

A

A

V

I

G

S

P

P

-

G

V

V

T

T

F

A

G

G

N

N

D

S

L

L

P

P

M

F

V

V

L

L

I

F

A

G

G

G

P

I

C
x
N

Q

V

M

L

E

E

S

S

R

L

E

D

H

F

A

T

L

L

E

D

T

V

A

C

S

G

I

E

L

Y

V

V

A

A

L

V

C

T

A

R

D

K

L

L

G

G

V

I

P

P

F

F

I

V

Y

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

G

S

Q

Y

R

R

G

G

V

V

G

G

M

L

E

D

K

E

A

G

L

L

P

K

I

I

F

F

A

A

E

E

I

V

R

K

E

A

T

R

L

F

G

G

C

V

P

P

V

V

L

I

T

T

D

D

V

V

H

H

D

E

A

A

G

E

Q

Q

C

A

A

A

P

P

V

V

A

A

E

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

A

A

A

I

A

A

A

K

T

A

G

G

R

K

V

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

K

K

N

H

V

V

A

V

N

S

K

K

V

C

M

G

S

E

A

V

G

G

N

N

E

D

R

R

V

V

L

M

L

L

T

C

E

E

R
|
R

G

G

A

S

S

S

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

T

V

D

D

M

M

R

L

S

G

L

F

P

R

I

Q

M

M

A

A

R

E

D

T

T

T

-

G

G

G

C

C

P

P

I

V

I

I

I

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

G

D

S
x
A

S
|
S

G

G

Q

R

R

R

E

R

F

Q

A

V

P

L

V

D

I

L

A

A

R

R

A

A

A

G

L

I

A

A

V

V

G

G

V

I

A

A

G

G

V

L

F

F

L

L

E

E

T

A

H

H

A

P

D

D

P

P

D

D

H

R

A

A

P

R

S
x
C

D
|
D

G

G

P

P

N

S

M

A

I

L

A

P

L

L

D

H

A

Q

M

L

P

E

A

G

L

L

I

L

A

S

V

Q

L

M

R

K

D

A

L

I

D

D

A

D

F

L

A

V

K

K

K

R

Y

M

P

P

binding arabinose-5-phosphate: N27 (≠ C26), K61 (= K60), N63 (= N62), R64 (= R63), S65 (≠ T64), H203 (= H201), Q206 (= Q204), R208 (≠ P206), A214 (≠ S212), S215 (= S213), C250 (≠ S248), D251 (= D249)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K56 (= K55), K61 (= K60), N63 (= N62), R64 (= R63), S65 (≠ T64), K139 (= K138), H203 (= H201), R208 (≠ P206), A214 (≠ S212), S215 (= S213), D251 (= D249)
binding phosphoenolpyruvate: K56 (= K55), Q114 (= Q113), P116 (= P115), A117 (= A116), K139 (= K138), R169 (= R168), H203 (= H201)

2nx3D Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
50% identity, 94% coverage: 19:280/280 of query aligns to 2:262/262 of 2nx3D

query
sites
2nx3D

M

F

V

L

L

V

I

I

A

A

G

G

P

P

C
x
N

Q

A

M

I

E

E

S

S

R

E

E

E

H

L

A

L

L

L

E

K

T

V

A

G

S

E

I

E

L

I

V

K

A

R

L

L

C

S

A

E

D

K

L

F

G

K

-

E

V

V

P

E

F

F

I

V

Y

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

G

S

Q

F

R

R

G

G

V

H

G

G

M

L

E

E

K

Y

A

G

L

V

P

K

I

A

F

L

A

R

E

K

I

V

R

K

E

E

T

E

L

F

G

G

C

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

D

E

A

S

G

W

Q

Q

C

A

A

E

P

P

V

V

A

A

E

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

A

A

A

K

T

T

G

G

R

R

V

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

K

K

N

N

V

V

A

V

N

E

K

K

V

L

M

K

S

F

A

G

G

G

N

A

E

K

R

E

V

I

L

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

G

D

S
x
K

S
|
S

G

G

Q

M

R

R

E

E

F

F

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F

F

L

M

E

E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D
|
D

G

A

P

P

N

T

M

A

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid: N9 (≠ C26), K44 (= K60), N46 (= N62), R47 (= R63), S48 (≠ T64), Q97 (= Q113), P99 (= P115), A100 (= A116), K122 (= K138), R152 (= R168), H183 (= H201), K194 (≠ S212), S195 (= S213), D231 (= D249)

2nx1A Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
49% identity, 94% coverage: 19:280/280 of query aligns to 3:263/263 of 2nx1A

query
sites
2nx1A

M

F

V

L

L

V

I

I

A

A

G

G

P

P

C

N

Q

A

M

I

E

E

S

S

R

E

E

E

H

L

A

L

L

L

E

K

T

V

A

G

S

E

I

E

L

I

V

K

A

R

L

L

C

S

A

E

D

K

L

F

G

K

-

E

V

V

P

E

F

F

I

V

Y

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

G

S

Q

F

R

R

G

G

V

H

G

G

M

L

E

E

K

Y

A

G

L

V

P

K

I

A

F

L

A

R

E

K

I

V

R

K

E

E

T

E

L

F

G

G

C

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

D

E

A

S

G

W

Q

Q

C

A

A

E

P

P

V

V

A

A

E

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

A

A

A

K

T

T

G

G

R

R

V

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

K

K

N

N

V

V

A

V

N

E

K

K

V

L

M

K

S

F

A

G

G

G

N

A

E

K

R

E

V

I

L

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

G

D

S

K

S
|
S

G

G

Q

M

R

R

E

E

F

F

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F

F

L

M

E

E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D
|
D

G

A

P

S

N

T

M

Q

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding phosphoenolpyruvate: K40 (= K55), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201)
binding 5-O-phosphono-beta-D-ribofuranose: K45 (= K60), N47 (= N62), R48 (= R63), S49 (≠ T64), S196 (= S213), D232 (= D249)

3e12A Cu2+ substituted aquifex aeolicus kdo8ps in complex with kdo8p (see paper)
49% identity, 94% coverage: 19:280/280 of query aligns to 3:258/258 of 3e12A

query
sites
3e12A

M

F

V

L

L

V

I

I

A

A

G

G

P

P

C
|
C

Q

A

M

I

E

E

S

S

R

E

E

E

H

L

A

L

L

L

E

K

T

V

A

G

S

E

I

E

L

I

V

K

A

R

L

L

C

S

A

E

D

K

L

F

G

K

-

E

V

V

P

E

F

F

I

V

Y

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

G

S

Q

F

R

R

G

G

V

H

G

G

M

L

E

E

K

Y

A

G

L

V

P

K

I

A

F

L

A

R

E

K

I

V

R

K

E

E

T

E

L

F

G

G

C

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

D

E

A

S

G

W

Q

Q

C

A

A

E

P

P

V

V

A

A

E

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

A

A

A

K

T

T

G

G

R

R

V

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

K

K

N

N

V

V

A

V

N

E

K

K

V

L

M

K

S

F

A

G

G

G

N

A

E

K

R

E

V

I

L

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F

F

L

M

E
|
E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D
|
D

G

A

P

S

N

T

M

Q

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding copper (ii) ion: C10 (= C26), H184 (= H201), E216 (= E238), D227 (= D249)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K40 (= K55), K45 (= K60), N47 (= N62), R48 (= R63), S49 (≠ T64), Q98 (= Q113), K123 (= K138), H184 (= H201), D227 (= D249)
binding phosphate ion: P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168)

1pcwA Aquifex aeolicus kdo8ps in complex with cadmium and app, a bisubstrate inhibitor (see paper)
49% identity, 94% coverage: 19:280/280 of query aligns to 3:257/257 of 1pcwA

query
sites
1pcwA

M

F

V

L

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

E

E

H

L

A

L

L

L

E

K

T

V

A

G

S

E

I

E

L

I

V

K

A

R

L

L

C

S

A

E

D

K

L

F

G

K

-

E

V

V

P

E

F

F

I

V

Y

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

G

S

Q

F

R

R

G

G

V

H

G

G

M

L

E

E

K

Y

A

G

L

V

P

K

I

A

F

L

A

R

E

K

I

V

R

K

E

E

T

E

L

F

G

G

C

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

D

E

A

S

G

W

Q

Q

C

A

A

E

P

P

V

V

A

A

E

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

A

A

A

K

T

T

G

G

R

R

V

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

K

K

N

N

V

V

A

V

N

E

K

K

V

L

M

K

S

F

A

G

G

G

N

A

E

K

R

E

V

I

L

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F

F

L

M

E

E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D
|
D

G

A

P

S

N

T

M

Q

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol: K45 (= K60), N47 (= N62), R48 (= R63), S49 (≠ T64), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201), Q187 (= Q204), D226 (= D249)

1pe1A Aquifex aeolicus kdo8ps in complex with cadmium and 2-pga (see paper)
49% identity, 94% coverage: 19:280/280 of query aligns to 4:258/258 of 1pe1A

query
sites
1pe1A

M

F

V

L

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

E

E

H

L

A

L

L

L

E

K

T

V

A

G

S

E

I

E

L

I

V

K

A

R

L

L

C

S

A

E

D

K

L

F

G

K

-

E

V

V

P

E

F

F

I

V

Y

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

G

S

Q

F

R

R

G

G

V

H

G

G

M

L

E

E

K

Y

A

G

L

V

P

K

I

A

F

L

A

R

E

K

I

V

R

K

E

E

T

E

L

F

G

G

C

L

P

K

V

I

L

T

T

T

D
|
D

V

I

H

H

D

E

A

S

G

W

Q

Q

C

A

A

E

P

P

V

V

A

A

E

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

A

A

A

K

T

T

G

G

R

R

V

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

K

K

N

N

V

V

A

V

N

E

K

K

V

L

M

K

S

F

A

G

G

G

N

A

E

K

R

E

V

I

L

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F

F

L

M

E

E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding 2-phosphoglyceric acid: K41 (= K55), D81 (= D95), Q99 (= Q113), P101 (= P115), A102 (= A116), K124 (= K138), R154 (= R168), H185 (= H201)

1g7vA Crystal structures of kdo8p synthase in its binary complexes with the mechanism-based inhibitor (see paper)
44% identity, 99% coverage: 1:276/280 of query aligns to 1:277/284 of 1g7vA

query
sites
1g7vA

M

M

T

K

P

Q

R

K

H

V

V

V

A

S

V

I

G

G

P

D

V

I

T

N

F

V

G

A

N

N

D

D

L

L

P

P

M

F

V

V

L

L

I

F

A

G

G

G

P

M

C
x
N

Q

V

M

L

E

E

S

S

R

R

E

D

H

L

A

A

L

M

E

R

T

I

A

C

S

E

I

H

L

Y

V

V

A

T

L

V

C

T

A

Q

D

K

L

L

G

G

V

I

P

P

F

Y

I

V

Y

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

G

S

Q

Y

R

R

G

G

V

P

G

G

M

L

E

E

K

E

A

G

L

M

P

K

I

I

F

F

A

Q

E

E

I

L

R

K

E

Q

T

T

L

F

G

G

C

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

D

E

A

P

G

S

Q

Q

C

A

A

Q

P

P

V

V

A

A

E

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

L

E

A

A

A

M

A

A

A

K

T

T

G

G

R

A

V

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

K

G

N

N

V

I

A

V

N

D

K

K

V

F

M

K

S

E

A

G

G

G

N

N

E

E

R

K

V

V

L

I

L

L

T

C

E

D

R
|
R

G

G

A

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

T

V

D

D

M

M

R

L

S

G

L

F

P

S

I

I

M

M

A

K

R

K

D

V

T

S

G

G

-

N

C

S

P

P

I

V

I

I

I

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

G

A

S

A

S

S

G

G

Q

R

R

R

E

A

F

Q

A

V

P

A

V

E

I

L

A

A

R

R

A

A

A

G

L

M

A

A

V

V

G

G

V

L

A

A

G

G

V

L

F

F

L

I

E

E

T

A

H

H

A

P

D

D

P

P

D

E

H

H

A
|
A

P

K

S

C

D
|
D

G
|
G

P
|
P

N

S

M

A

I

L

A

P

L

L

D

A

A

K

M

L

P

E

A

P

L

F

I

L

A

K

V

Q

L

M

R

K

D

A

L

I

D

D

A

D

F

L

A

V

K

K

K

G

Y

F

active site: N26 (≠ C26), K60 (= K60), D250 (= D249)
binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: N62 (= N62), R63 (= R63), F117 (= F117), R168 (= R168), H202 (= H201), Q205 (= Q204), A247 (= A246), G251 (= G250), P252 (= P251)

1pckA Aquifex aeolicus kdo8ps in complex with z-methyl-pep (see paper)
49% identity, 94% coverage: 19:280/280 of query aligns to 3:258/258 of 1pckA

query
sites
1pckA

M

F

V

L

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

E

E

H

L

A

L

L

L

E

K

T

V

A

G

S

E

I

E

L

I

V

K

A

R

L

L

C

S

A

E

D

K

L

F

G

K

-

E

V

V

P

E

F

F

I

V

Y

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

G

S

Q

F

R

R

G

G

V

H

G

G

M

L

E

E

K

Y

A

G

L

V

P

K

I

A

F

L

A

R

E

K

I

V

R

K

E

E

T

E

L

F

G

G

C

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

D

E

A

S

G

W

Q

Q

C

A

A

E

P

P

V

V

A

A

E

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

A

A

A

K

T

T

G

G

R

R

V

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

K

K

N

N

V

V

A

V

N

E

K

K

V

L

M

K

S

F

A

G

G

G

N

A

E

K

R

E

V

I

L

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F

F

L

M

E

E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding 2-(phosphonooxy)butanoic acid: K40 (= K55), K45 (= K60), N47 (= N62), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201)

1g7uA Crystal structures of kdo8p synthase in its binary complex with substrate phosphoenol pyruvate (see paper)
44% identity, 99% coverage: 1:276/280 of query aligns to 1:277/284 of 1g7uA

query
sites
1g7uA

M

M

T

K

P

Q

R

K

H

V

V

V

A

S

V

I

G

G

P

D

V

I

T

N

F

V

G

A

N

N

D

D

L

L

P

P

M

F

V

V

L

L

I

F

A

G

G

G

P

M

C

N

Q

V

M

L

E

E

S

S

R

R

E

D

H

L

A

A

L

M

E

R

T

I

A

C

S

E

I

H

L

Y

V

V

A

T

L

V

C

T

A

Q

D

K

L

L

G

G

V

I

P

P

F

Y

I

V

Y

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

G

S

Q

Y

R

R

G

G

V

P

G

G

M

L

E

E

K

E

A

G

L

M

P

K

I

I

F

F

A

Q

E

E

I

L

R

K

E

Q

T

T

L

F

G

G

C

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

D

E

A

P

G

S

Q

Q

C

A

A

Q

P

P

V

V

A

A

E

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

L

E

A

A

A

M

A

A

A

K

T

T

G

G

R

A

V

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

K

G

N

N

V

I

A

V

N

D

K

K

V

F

M

K

S

E

A

G

G

G

N

N

E

E

R

K

V

V

L

I

L

L

T

C

E

D

R
|
R

G

G

A

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

T

V

D

D

M

M

R

L

S

G

L

F

P

S

I

I

M

M

A

K

R

K

D

V

T

S

G

G

-

N

C

S

P

P

I

V

I

I

I

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

G

A

S

A

S

S

G

G

Q

R

R

R

E

A

F

Q

A

V

P

A

V

E

I

L

A

A

R

R

A

A

A

G

L

M

A

A

V

V

G

G

V

L

A

A

G

G

V

L

F

F

L

I

E

E

T

A

H

H

A

P

D

D

P

P

D

E

H

H

A

A

P

K

S

C

D

D

G

G

P

P

N

S

M

A

I

L

A

P

L

L

D

A

A

K

M

L

P

E

A

P

L

F

I

L

A

K

V

Q

L

M

R

K

D

A

L

I

D

D

A

D

F

L

A

V

K

K

K

G

Y

F

binding phosphoenolpyruvate: F117 (= F117), R168 (= R168), H202 (= H201)

1jcxA Aquifex aeolicus kdo8p synthase in complex with api and cadmium (see paper)
48% identity, 94% coverage: 19:280/280 of query aligns to 3:255/255 of 1jcxA

query
sites
1jcxA

M

F

V

L

L

V

I

I

A

A

G

G

P

P

C

C

Q

A

M

I

E

E

S

S

R

E

E

E

H

L

A

L

L

L

E

K

T

V

A

G

S

E

I

E

L

I

V

K

A

R

L

L

C

S

A

E

D

K

L

F

G

K

-

E

V

V

P

E

F

F

I

V

Y

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

G

S

Q

F

R

R

G

G

V

H

G

G

M

L

E

E

K

Y

A

G

L

V

P

K

I

A

F

L

A

R

E

K

I

V

R

K

E

E

T

E

L

F

G

G

C

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

D

E

A

S

G

W

Q

Q

C

A

A

E

P

P

V

V

A

A

E

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

A

A

A

K

T

T

G

G

R

R

V

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

K

K

N

N

V

V

A

V

N

E

K

K

V

L

M

K

S

F

A

G

G

G

N

A

E

K

R

E

V

I

L

Y

L

L

T

T

E

E

R
|
R

G

G

A

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

V

V

T

V

D

D

M

F

R

R

S

S

L

L

P

P

I

I

M

M

A

K

R

Q

D

-

T

-

G

W

C

A

P

K

I

V

I

I

I

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

A

I

P

F

V

P

I

L

A

I

R

R

A

A

L

V

A

A

V

V

G

G

V

C

A

D

G

G

V

V

F
|
F

L

M

E
|
E

T

T

H

H

A

P

D

E

P

P

D

E

H

K

A

A

P

L

S

S

D

D

G

A

P

S

N

T

M

Q

I

L

A

P

L

L

D

S

A

Q

M

L

P

E

A

G

L

I

I

I

A

E

V

A

L

I

R

L

D

E

L

I

D

R

A

E

F

V

A

A

K

S

K

K

Y

Y

P

Y

V

E

T

T

L

I

binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: K40 (= K55), K45 (= K60), N47 (= N62), R48 (= R63), S49 (≠ T64), Q98 (= Q113), P100 (= P115), A101 (= A116), K123 (= K138), R153 (= R168), H184 (= H201), Q187 (= Q204), F211 (= F236), E213 (= E238)

1x6uA Kdo8p synthase in it's binary complex with the product kdo8p (see paper)
43% identity, 99% coverage: 1:276/280 of query aligns to 1:265/272 of 1x6uA

query
sites
1x6uA

M

M

T

K

P

Q

R

K

H

V

V

V

A

S

V

I

G

G

P

D

V

I

T

N

F

V

G

A

N

N

D

D

L

L

P

P

M

F

V

V

L

L

I

F

A

G

G

G

P

M

C
x
N

Q

V

M

L

E

E

S

S

R

R

E

D

H

L

A

A

L

M

E

R

T

I

A

C

S

E

I

H

L

Y

V

V

A

T

L

V

C

T

A

Q

D

K

L

L

G

G

V

I

P

P

F

Y

I

V

Y

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

G

S

Q

Y

R

R

G

G

V

P

G

G

M

L

E

E

K

E

A

G

L

M

P

K

I

I

F

F

A

Q

E

E

I

L

R

K

E

Q

T

T

L

F

G

G

C

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

D

E

A

P

G

S

Q

Q

C

A

A

Q

P

P

V

V

A

A

E

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

L

E

A

A

A

M

A

A

A

K

T

T

G

G

R

A

V

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

K

G

N

N

V

I

A

V

N

D

K

K

V

F

M

K

S

E

A

G

G

G

N

N

E

E

R

K

V

V

L

I

L

L

T

C

E

D

R

R

G

G

A

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

V

V

T

V

D

D

M

M

R

L

S

G

L

F

P

S

I

I

M

M

A

K

R

K

D

V

T

S

G

G

-

N

C

S

P

P

I

V

I

I

I

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

A

V

P

A

V

E

I

L

A

A

R

R

A

A

A

G

L

M

A

A

V

V

G

G

V

L

A

A

G

G

V

L

F
|
F

L

I

E
|
E

T

A

H

H

A

P

D

D

P

P

D

E

H

H

A

A

P

K

S

C

D
|
D

G

G

P
|
P

N

S

M

A

I

L

A

P

L

L

D

A

A

K

M

L

P

E

A

P

L

F

I

L

A

K

V

Q

L

M

R

K

D

A

L

I

D

D

A

D

F

L

A

V

K

K

K

G

Y

F

active site: N26 (≠ C26), K60 (= K60), D238 (= D249)
binding 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid: N26 (≠ C26), K55 (= K55), N62 (= N62), Q113 (= Q113), F117 (= F117), K138 (= K138), D199 (= D198), H202 (= H201), F225 (= F236), E227 (= E238), P240 (= P251)

1phwA Crystal structure of kdo8p synthase in its binary complex with substrate analog 1-deoxy-a5p (see paper)
43% identity, 99% coverage: 1:276/280 of query aligns to 1:265/272 of 1phwA

query
sites
1phwA

M

M

T

K

P

Q

R

K

H

V

V

V

A

S

V

I

G

G

P

D

V

I

T

N

F

V

G

A

N

N

D

D

L

L

P

P

M

F

V

V

L

L

I

F

A

G

G

G

P

M

C
x
N

Q

V

M

L

E

E

S

S

R

R

E

D

H

L

A

A

L

M

E

R

T

I

A

C

S

E

I

H

L

Y

V

V

A

T

L

V

C

T

A

Q

D

K

L

L

G

G

V

I

P

P

F

Y

I

V

Y

F

K

K

T

A

S

S

F

F

D

D