SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_006747829.1 NCBI__GCF_000227685.2:WP_006747829.1 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)

2nx3D Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
51% identity, 91% coverage: 14:267/280 of query aligns to 2:255/262 of 2nx3D

query
sites
2nx3D

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binding (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid: N9 (≠ C21), K44 (= K55), N46 (= N57), R47 (= R58), S48 (= S59), Q97 (= Q108), P99 (= P110), A100 (= A111), K122 (= K133), R152 (= R163), H183 (= H195), K194 (≠ A206), S195 (= S207), D231 (= D243)

3e0iA Cu2+ substituted aquifex aeolicus kdo8ps in complex with pep (see paper)
51% identity, 91% coverage: 14:267/280 of query aligns to 3:256/263 of 3e0iA

query
sites
3e0iA

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binding copper (ii) ion: C10 (= C21), H184 (= H195), E221 (= E232)
binding phosphoenolpyruvate: K40 (= K50), K45 (= K55), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195)
binding phosphate ion: R48 (= R58), S49 (= S59), K195 (≠ A206), S196 (= S207)

2a21A Aquifex aeolicus kdo8ps in complex with pep, po4, and zn2+ (see paper)
51% identity, 91% coverage: 14:267/280 of query aligns to 3:256/263 of 2a21A

query
sites
2a21A

F

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binding phosphoenolpyruvate: K40 (= K50), K45 (= K55), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195)
binding phosphate ion: R48 (= R58), S49 (= S59), S196 (= S207)
binding zinc ion: C10 (= C21), H184 (= H195), E221 (= E232), D232 (= D243)

1jcyA Aquifex aeolicus kdo8p synthase in complex with r5p, pep and cadmium (see paper)
51% identity, 91% coverage: 14:267/280 of query aligns to 3:256/263 of 1jcyA

query
sites
1jcyA

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binding phosphoenolpyruvate: K40 (= K50), K45 (= K55), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195)
binding ribose-5-phosphate: N47 (= N57), R48 (= R58), S49 (= S59), H184 (= H195), Q187 (= Q198), S196 (= S207)

1fwwA Aquifex aeolicus kdo8p synthase in complex with pep, a5p and cadmium (see paper)
51% identity, 91% coverage: 14:267/280 of query aligns to 3:256/263 of 1fwwA

query
sites
1fwwA

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H

S

S

V

V

Q

Q

Q

L

P

P

G

G

K

L

G

G

S

D

A

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

A

V

G

G

V

C

S

D

G

G

L

V

F

F

M

M

E

E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D
|
D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding arabinose-5-phosphate: N47 (= N57), R48 (= R58), S49 (= S59), H184 (= H195), S196 (= S207), D232 (= D243)
binding phosphoenolpyruvate: K40 (= K50), K45 (= K55), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195)

1fwtA Aquifex aeolicus kdo8p synthase in complex with pep, e4p and cadmium (see paper)
51% identity, 91% coverage: 14:267/280 of query aligns to 3:256/263 of 1fwtA

query
sites
1fwtA

F

F

F

L

L

V

I

I

S

A

G

G

P

P

C

C

V

A

I

I

E

E

S

S

E

E

L

L

A

L

L

L

D

K

T

V

A

G

G

E

T

E

L

I

K

K

S

R

I

L

T

S

E

E

A

K

L

F

G

K

-

E

I

V

P

E

F

F

I

V

Y

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

S
|
S

S

S

T

I

R

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

E

E

Q

Y

G

G

L

V

R

K

I

A

L

L

E

R

K

K

V

V

K

K

Q

E

D

E

L

F

N

G

V

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

D

S

T

W

P

Q

L

A

D

E

E

P

V

V

A

A

S

E

V

V

V

A

D

D

V

I

L

I

Q
|
Q

T

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

N

D

F

L

I

L

Q

L

N

A

V

A

A

A

R

K

Q

T

G

G

L

R

P

A

V

V

N

N

I

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

D

K

N

N

V

V

D

E

K

K

A

L

R

K

E

F

V

G

G

G

N

A

D

K

R

E

I

I

M

Y

V

L

C

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

I

V

S

V

D

D

M

F

R

R

G

S

L

L

A

P

V

I

M

M

R

K

R

Q

T

W

D

-

C

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

K

L

G

G

S

D

A

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

A

V

G

G

V

C

S

D

G

G

L

V

F

F

M

M

E

E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D

D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding erythose-4-phosphate: N47 (= N57), R48 (= R58), S49 (= S59), S196 (= S207)
binding phosphoenolpyruvate: K40 (= K50), K45 (= K55), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195)

3undB Substrate-bound crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from burkholderia pseudomallei (see paper)
50% identity, 96% coverage: 5:274/280 of query aligns to 11:282/284 of 3undB

query
sites
3undB

G

G

F

V

E

T

A

A

G

G

L

N

D

S

R

L

P

P

F

F

F

V

L

L

I

F

S

G

G

G

P

I

C
x
N

V

V

I

L

E

E

S

S

E

L

E

D

L

F

A

T

L

L

D

D

T

V

A

C

G

G

T

E

L

Y

K

V

S

A

I

V

T

T

E

R

A

K

L

L

G

G

I

I

P

P

F

F

I

V

Y

F

K
|
K

S

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

S
|
S

S

S

T

I

R

H

S

S

F

Y

R

R

G

G

P

V

G

G

L

L

E

D

Q

E

G

G

L

L

R

K

I

I

L

F

E

A

K

E

V

V

K

K

Q

A

D

R

L

F

N

G

V

V

P

P

V

V

L

I

T

T

D

D

V

V

H

H

E

E

D

A

T

E

P

Q

L

A

D

A

E

P

V

V

A

A

S

E

V

I

V

A

D

D

V

V

L

L

Q
|
Q

T

V

P
|
P

A
|
A

F

F

L

L

C

A

R

R

Q

Q

T

T

N

D

F

L

I

V

Q

V

N

A

V

I

A

A

R

K

Q

A

G

G

L

K

P

P

V

V

N

N

I

V

K
|
K

K

K

G

P

Q

Q

F

F

L

M

A

S

P

P

W

T

D

Q

M

L

D

K

N

H

V

V

D

S

K

K

A

C

R

G

E

E

V

V

G

G

N

N

D

D

R

R

I

V

M

M

V

L

C

C

E

E

R
|
R

G

G

V

S

S

S

F

F

G

G

Y

Y

N

D

T

N

L

L

I

V

S

V

D

D

M

M

R

L

G

G

L

F

A

R

V

Q

M

M

R

A

R

E

T

T

D

T

-

G

C

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

K

L

G

G

S

D

A
|
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

A

V

G

G

V

I

S

A

G

G

L

L

F

F

M

L

E

E

T

A

H

H

P

P

D

D

P

P

E

D

Q

R

A

A

L

R

S
x
C

D
|
D

G

G

P

P

N

S

A

A

W

L

P

P

L

L

A

H

R

Q

M

L

R

E

E

G

L

L

E

S

T

Q

L

M

V

K

D

A

L

I

D

D

R

D

V

L

A

V

K

K

A

R

R

M

P

P

F

A

A

L

E

E

binding arabinose-5-phosphate: N27 (≠ C21), K61 (= K55), N63 (= N57), R64 (= R58), S65 (= S59), H203 (= H195), Q206 (= Q198), R208 (≠ P200), A214 (= A206), S215 (= S207), C250 (≠ S242), D251 (= D243)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K56 (= K50), K61 (= K55), N63 (= N57), R64 (= R58), S65 (= S59), K139 (= K133), H203 (= H195), R208 (≠ P200), A214 (= A206), S215 (= S207), D251 (= D243)
binding phosphoenolpyruvate: K56 (= K50), Q114 (= Q108), P116 (= P110), A117 (= A111), K139 (= K133), R169 (= R163), H203 (= H195)

2nx1A Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
51% identity, 91% coverage: 14:267/280 of query aligns to 3:256/263 of 2nx1A

query
sites
2nx1A

F

F

F

L

L

V

I

I

S

A

G

G

P

P

C

N

V

A

I

I

E

E

S

S

E

E

L

L

A

L

L

L

D

K

T

V

A

G

G

E

T

E

L

I

K

K

S

R

I

L

T

S

E

E

A

K

L

F

G

K

-

E

I

V

P

E

F

F

I

V

Y

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

S
|
S

S

S

T

I

R

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

E

E

Q

Y

G

G

L

V

R

K

I

A

L

L

E

R

K

K

V

V

K

K

Q

E

D

E

L

F

N

G

V

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

D

S

T

W

P

Q

L

A

D

E

E

P

V

V

A

A

S

E

V

V

V

A

D

D

V

I

L

I

Q
|
Q

T

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

N

D

F

L

I

L

Q

L

N

A

V

A

A

A

R

K

Q

T

G

G

L

R

P

A

V

V

N

N

I

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

D

K

N

N

V

V

D

E

K

K

A

L

R

K

E

F

V

G

G

G

N

A

D

K

R

E

I

I

M

Y

V

L

C

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

I

V

S

V

D

D

M

F

R

R

G

S

L

L

A

P

V

I

M

M

R

K

R

Q

T

W

D

-

C

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

K

L

G

G

S

D

A

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

A

V

G

G

V

C

S

D

G

G

L

V

F

F

M

M

E

E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D
|
D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding phosphoenolpyruvate: K40 (= K50), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195)
binding 5-O-phosphono-beta-D-ribofuranose: K45 (= K55), N47 (= N57), R48 (= R58), S49 (= S59), S196 (= S207), D232 (= D243)

1g7vA Crystal structures of kdo8p synthase in its binary complexes with the mechanism-based inhibitor (see paper)
47% identity, 93% coverage: 11:269/280 of query aligns to 16:276/284 of 1g7vA

query
sites
1g7vA

D

D

R

L

P

P

F

F

F

V

L

L

I

F

S

G

G

G

P

M

C
x
N

V

V

I

L

E

E

S

S

E

R

E

D

L

L

A

A

L

M

D

R

T

I

A

C

G

E

T

H

L

Y

K

V

S

T

I

V

T

T

E

Q

A

K

L

L

G

G

I

I

P

P

F

Y

I

V

Y

F

K

K

S

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

S

S

T

I

R

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

E

E

Q

E

G

G

L

M

R

K

I

I

L

F

E

Q

K

E

V

L

K

K

Q

Q

D

T

L

F

N

G

V

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

E

E

D

P

T

S

P

Q

L

A

D

Q

E

P

V

V

A

A

S

D

V

V

D

D

V

V

L

I

Q

Q

T

L

P

P

A

A

F
|
F

L

L

C

A

R

R

Q

Q

T

T

N

D

F

L

I

V

Q

E

N

A

V

M

A

A

R

K

Q

T

G

G

L

A

P

V

V

I

N

N

I

V

K

K

G

P

Q

Q

F

F

L

V

A

S

P

P

W

G

D

Q

M

M

D

G

N

N

V

I

V

V

D

D

K

K

A

F

R

K

E

E

V

G

G

G

N

N

D

E

R

K

I

V

M

I

V

L

C

C

E

D

R
|
R

G

G

V

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

I

V

S

V

D

D

M

M

R

L

G

G

L

F

A

S

V

I

M

M

R

K

T

V

-

S

-

G

D

N

C

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

K

F

G

G

S

A

A

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

A

V

G

G

V

L

S

A

G

G

L

L

F

F

M

I

E

E

T

A

H

H

P

P

D

D

P

P

E

E

Q

H

A
|
A

L

K

S

C

D
|
D

G
|
G

P
|
P

N

S

A

A

W

L

P

P

L

L

A

A

R

K

M

L

R

E

E

P

L

F

L

L

E

K

T

Q

L

M

V

K

D

A

L

I

D

D

R

D

V

L

A

V

K

K

A

G

active site: N26 (≠ C21), K60 (= K55), D250 (= D243)
binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: N62 (= N57), R63 (= R58), F117 (= F112), R168 (= R163), H202 (= H195), Q205 (= Q198), A247 (= A240), G251 (= G244), P252 (= P245)

3e12A Cu2+ substituted aquifex aeolicus kdo8ps in complex with kdo8p (see paper)
50% identity, 91% coverage: 14:267/280 of query aligns to 3:251/258 of 3e12A

query
sites
3e12A

F

F

F

L

L

V

I

I

S

A

G

G

P

P

C
|
C

V

A

I

I

E

E

S

S

E

E

L

L

A

L

L

L

D

K

T

V

A

G

G

E

T

E

L

I

K

K

S

R

I

L

T

S

E

E

A

K

L

F

G

K

-

E

I

V

P

E

F

F

I

V

Y

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

S
|
S

S

S

T

I

R

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

E

E

Q

Y

G

G

L

V

R

K

I

A

L

L

E

R

K

K

V

V

K

K

Q

E

D

E

L

F

N

G

V

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

D

S

T

W

P

Q

L

A

D

E

E

P

V

V

A

A

S

E

V

V

V

A

D

D

V

I

L

I

Q
|
Q

T

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

N

D

F

L

I

L

Q

L

N

A

V

A

A

A

R

K

Q

T

G

G

L

R

P

A

V

V

N

N

I

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

D

K

N

N

V

V

D

E

K

K

A

L

R

K

E

F

V

G

G

G

N

A

D

K

R

E

I

I

M

Y

V

L

C

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

I

V

S

V

D

D

M

F

R

R

G

S

L

L

A

P

V

I

M

M

R

K

R

Q

T

W

D

-

C

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

K

-

G

-

S

-

A

-

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

A

V

G

G

V

C

S

D

G

G

L

V

F

F

M

M

E
|
E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D
|
D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding copper (ii) ion: C10 (= C21), H184 (= H195), E216 (= E232), D227 (= D243)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K40 (= K50), K45 (= K55), N47 (= N57), R48 (= R58), S49 (= S59), Q98 (= Q108), K123 (= K133), H184 (= H195), D227 (= D243)
binding phosphate ion: P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163)

1g7uA Crystal structures of kdo8p synthase in its binary complex with substrate phosphoenol pyruvate (see paper)
47% identity, 92% coverage: 11:268/280 of query aligns to 16:275/284 of 1g7uA

query
sites
1g7uA

D

D

R

L

P

P

F

F

F

V

L

L

I

F

S

G

G

G

P

M

C

N

V

V

I

L

E

E

S

S

E

R

E

D

L

L

A

A

L

M

D

R

T

I

A

C

G

E

T

H

L

Y

K

V

S

T

I

V

T

T

E

Q

A

K

L

L

G

G

I

I

P

P

F

Y

I

V

Y

F

K

K

S

A

S

S

F

F

D

D

K

K

A

A

N

N

R

R

S

S

T

I

R

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

E

E

Q

E

G

G

L

M

R

K

I

I

L

F

E

Q

K

E

V

L

K

K

Q

Q

D

T

L

F

N

G

V

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

E

E

D

P

T

S

P

Q

L

A

D

Q

E

P

V

V

A

A

S

D

V

V

D

D

V

V

L

I

Q

Q

T

L

P

P

A

A

F
|
F

L

L

C

A

R

R

Q

Q

T

T

N

D

F

L

I

V

Q

E

N

A

V

M

A

A

R

K

Q

T

G

G

L

A

P

V

V

I

N

N

I

V

K

K

G

P

Q

Q

F

F

L

V

A

S

P

P

W

G

D

Q

M

M

D

G

N

N

V

I

V

V

D

D

K

K

A

F

R

K

E

E

V

G

G

G

N

N

D

E

R

K

I

V

M

I

V

L

C

C

E

D

R
|
R

G

G

V

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

I

V

S

V

D

D

M

M

R

L

G

G

L

F

A

S

V

I

M

M

R

K

T

V

-

S

-

G

D

N

C

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

K

F

G

V

S

A

A

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

A

V

G

G

V

L

S

A

G

G

L

L

F

F

M

I

E

E

T

A

H

H

P

P

D

D

P

P

E

E

Q

H

A

A

L

K

S

C

D

D

G

G

P

P

N

S

A

A

W

L

P

P

L

L

A

A

R

K

M

L

R

E

E

P

L

F

L

L

E

K

T

Q

L

M

V

K

D

A

L

I

D

D

R

D

V

L

A

V

K

K

binding phosphoenolpyruvate: F117 (= F112), R168 (= R163), H202 (= H195)

1pe1A Aquifex aeolicus kdo8ps in complex with cadmium and 2-pga (see paper)
50% identity, 91% coverage: 14:267/280 of query aligns to 4:251/258 of 1pe1A

query
sites
1pe1A

F

F

F

L

L

V

I

I

S

A

G

G

P

P

C

C

V

A

I

I

E

E

S

S

E

E

L

L

A

L

L

L

D

K

T

V

A

G

G

E

T

E

L

I

K

K

S

R

I

L

T

S

E

E

A

K

L

F

G

K

-

E

I

V

P

E

F

F

I

V

Y

F

K
|
K

S

S

F

F

D

D

K

K

A

A

N

N

R

R

S

S

T

I

R

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

E

E

Q

Y

G

G

L

V

R

K

I

A

L

L

E

R

K

K

V

V

K

K

Q

E

D

E

L

F

N

G

V

L

P

K

V

I

L

T

T

T

D
|
D

V

I

H

H

E

E

D

S

T

W

P

Q

L

A

D

E

E

P

V

V

A

A

S

E

V

V

V

A

D

D

V

I

L

I

Q
|
Q

T

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

N

D

F

L

I

L

Q

L

N

A

V

A

A

A

R

K

Q

T

G

G

L

R

P

A

V

V

N

N

I

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

D

K

N

N

V

V

D

E

K

K

A

L

R

K

E

F

V

G

G

G

N

A

D

K

R

E

I

I

M

Y

V

L

C

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

I

V

S

V

D

D

M

F

R

R

G

S

L

L

A

P

V

I

M

M

R

K

R

Q

T

W

D

-

C

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

-

K

-

G

-

S

-

A

-

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

A

V

G

G

V

C

S

D

G

G

L

V

F

F

M

M

E

E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D

D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding 2-phosphoglyceric acid: K41 (= K50), D81 (= D90), Q99 (= Q108), P101 (= P110), A102 (= A111), K124 (= K133), R154 (= R163), H185 (= H195)

1pcwA Aquifex aeolicus kdo8ps in complex with cadmium and app, a bisubstrate inhibitor (see paper)
50% identity, 91% coverage: 14:267/280 of query aligns to 3:250/257 of 1pcwA

query
sites
1pcwA

F

F

F

L

L

V

I

I

S

A

G

G

P

P

C

C

V

A

I

I

E

E

S

S

E

E

L

L

A

L

L

L

D

K

T

V

A

G

G

E

T

E

L

I

K

K

S

R

I

L

T

S

E

E

A

K

L

F

G

K

-

E

I

V

P

E

F

F

I

V

Y

F

K

K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

S
|
S

S

S

T

I

R

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

E

E

Q

Y

G

G

L

V

R

K

I

A

L

L

E

R

K

K

V

V

K

K

Q

E

D

E

L

F

N

G

V

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

D

S

T

W

P

Q

L

A

D

E

E

P

V

V

A

A

S

E

V

V

V

A

D

D

V

I

L

I

Q

Q

T

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

N

D

F

L

I

L

Q

L

N

A

V

A

A

A

R

K

Q

T

G

G

L

R

P

A

V

V

N

N

I

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

D

K

N

N

V

V

D

E

K

K

A

L

R

K

E

F

V

G

G

G

N

A

D

K

R

E

I

I

M

Y

V

L

C

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

I

V

S

V

D

D

M

F

R

R

G

S

L

L

A

P

V

I

M

M

R

K

R

Q

T

W

D

-

C

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

-

K

-

G

-

S

-

A

-

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

A

V

G

G

V

C

S

D

G

G

L

V

F

F

M

M

E

E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D
|
D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol: K45 (= K55), N47 (= N57), R48 (= R58), S49 (= S59), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195), Q187 (= Q198), D226 (= D243)

1pckA Aquifex aeolicus kdo8ps in complex with z-methyl-pep (see paper)
50% identity, 91% coverage: 14:267/280 of query aligns to 3:251/258 of 1pckA

query
sites
1pckA

F

F

F

L

L

V

I

I

S

A

G

G

P

P

C

C

V

A

I

I

E

E

S

S

E

E

L

L

A

L

L

L

D

K

T

V

A

G

G

E

T

E

L

I

K

K

S

R

I

L

T

S

E

E

A

K

L

F

G

K

-

E

I

V

P

E

F

F

I

V

Y

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R

R

S

S

T

I

R

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

E

E

Q

Y

G

G

L

V

R

K

I

A

L

L

E

R

K

K

V

V

K

K

Q

E

D

E

L

F

N

G

V

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

D

S

T

W

P

Q

L

A

D

E

E

P

V

V

A

A

S

E

V

V

V

A

D

D

V

I

L

I

Q
|
Q

T

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

N

D

F

L

I

L

Q

L

N

A

V

A

A

A

R

K

Q

T

G

G

L

R

P

A

V

V

N

N

I

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

D

K

N

N

V

V

D

E

K

K

A

L

R

K

E

F

V

G

G

G

N

A

D

K

R

E

I

I

M

Y

V

L

C

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

I

V

S

V

D

D

M

F

R

R

G

S

L

L

A

P

V

I

M

M

R

K

R

Q

T

W

D

-

C

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

K

L

G

-

S

-

A

-

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

A

V

G

G

V

C

S

D

G

G

L

V

F

F

M

M

E

E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D

D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding 2-(phosphonooxy)butanoic acid: K40 (= K50), K45 (= K55), N47 (= N57), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195)

1jcxA Aquifex aeolicus kdo8p synthase in complex with api and cadmium (see paper)
49% identity, 91% coverage: 14:267/280 of query aligns to 3:248/255 of 1jcxA

query
sites
1jcxA

F

F

F

L

L

V

I

I

S

A

G

G

P

P

C

C

V

A

I

I

E

E

S

S

E

E

L

L

A

L

L

L

D

K

T

V

A

G

G

E

T

E

L

I

K

K

S

R

I

L

T

S

E

E

A

K

L

F

G

K

-

E

I

V

P

E

F

F

I

V

Y

F

K
|
K

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R
|
R

S
|
S

S

S

T

I

R

H

S

S

F

F

R

R

G

G

P

H

G

G

L

L

E

E

Q

Y

G

G

L

V

R

K

I

A

L

L

E

R

K

K

V

V

K

K

Q

E

D

E

L

F

N

G

V

L

P

K

V

I

L

T

T

T

D

D

V

I

H

H

E

E

D

S

T

W

P

Q

L

A

D

E

E

P

V

V

A

A

S

E

V

V

V

A

D

D

V

I

L

I

Q
|
Q

T

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

N

D

F

L

I

L

Q

L

N

A

V

A

A

A

R

K

Q

T

G

G

L

R

P

A

V

V

N

N

I

V

K
|
K

K

K

G

G

Q

Q

F

F

L

L

A

A

P

P

W

W

D

D

M

T

D

K

N

N

V

V

D

E

K

K

A

L

R

K

E

F

V

G

G

G

N

A

D

K

R

E

I

I

M

Y

V

L

C

T

E

E

R
|
R

G

G

V

T

S

T

F

F

G

G

Y

Y

N

N

T

N

L

L

I

V

S

V

D

D

M

F

R

R

G

S

L

L

A

P

V

I

M

M

R

K

R

Q

T

W

D

-

C

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

-

K

-

G

-

S

-

A

-

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

A

V

G

G

V

C

S

D

G

G

L

V

F
|
F

M

M

E
|
E

T

T

H

H

P

P

D

E

P

P

E

E

Q

K

A

A

L

L

S

S

D

D

G

A

P

S

N

T

A

Q

W

L

P

P

L

L

A

S

R

Q

M

L

R

E

E

G

L

I

E

E

T

A

L

I

V

L

D

E

L

I

D

R

R

E

V

V

A

A

binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: K40 (= K50), K45 (= K55), N47 (= N57), R48 (= R58), S49 (= S59), Q98 (= Q108), P100 (= P110), A101 (= A111), K123 (= K133), R153 (= R163), H184 (= H195), Q187 (= Q198), F211 (= F230), E213 (= E232)

1x6uA Kdo8p synthase in it's binary complex with the product kdo8p (see paper)
45% identity, 92% coverage: 11:268/280 of query aligns to 16:263/272 of 1x6uA

query
sites
1x6uA

D

D

R

L

P

P

F

F

F

V

L

L

I

F

S

G

G

G

P

M

C
x
N

V

V

I

L

E

E

S

S

E

R

E

D

L

L

A

A

L

M

D

R

T

I

A

C

G

E

T

H

L

Y

K

V

S

T

I

V

T

T

E

Q

A

K

L

L

G

G

I

I

P

P

F

Y

I

V

Y

F

K
|
K

S

A

S

S

F

F

D

D

K
|
K

A

A

N
|
N

R

R

S

S

T

I

R

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

E

E

Q

E

G

G

L

M

R

K

I

I

L

F

E

Q

K

E

V

L

K

K

Q

Q

D

T

L

F

N

G

V

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

E

E

D

P

T

S

P

Q

L

A

D

Q

E

P

V

V

A

A

S

D

V

V

D

D

V

V

L

I

Q
|
Q

T

L

P

P

A

A

F
|
F

L

L

C

A

R

R

Q

Q

T

T

N

D

F

L

I

V

Q

E

N

A

V

M

A

A

R

K

Q

T

G

G

L

A

P

V

V

I

N

N

I

V

K
|
K

K

K

G

P

Q

Q

F

F

L

V

A

S

P

P

W

G

D

Q

M

M

D

G

N

N

V

I

V

V

D

D

K

K

A

F

R

K

E

E

V

G

G

G

N

N

D

E

R

K

I

V

M

I

V

L

C

C

E

D

R

R

G

G

V

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

I

V

S

V

D

D

M

M

R

L

G

G

L

F

A

S

V

I

M

M

R

K

T

V

-

S

-

G

D

N

C

S

P

P

V

V

V

I

F

F

D
|
D

A

V

T

T

H
|
H

S

A

V

L

Q

-

P

-

G

-

K

-

G

-

S

-

A

-

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

A

V

G

G

V

L

S

A

G

G

L

L

F
|
F

M

I

E
|
E

T

A

H

H

P

P

D

D

P

P

E

E

Q

H

A

A

L

K

S

C

D
|
D

G

G

P
|
P

N

S

A

A

W

L

P

P

L

L

A

A

R

K

M

L

R

E

E

P

L

F

L

L

E

K

T

Q

L

M

V

K

D

A

L

I

D

D

R

D

V

L

A

V

K

K

active site: N26 (≠ C21), K60 (= K55), D238 (= D243)
binding 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid: N26 (≠ C21), K55 (= K50), N62 (= N57), Q113 (= Q108), F117 (= F112), K138 (= K133), D199 (= D192), H202 (= H195), F225 (= F230), E227 (= E232), P240 (= P245)

1phwA Crystal structure of kdo8p synthase in its binary complex with substrate analog 1-deoxy-a5p (see paper)
45% identity, 92% coverage: 11:268/280 of query aligns to 16:263/272 of 1phwA

query
sites
1phwA

D

D

R

L

P

P

F

F

F

V

L

L

I

F

S

G

G

G

P

M

C
x
N

V

V

I

L

E

E

S

S

E

R

E

D

L

L

A

A

L

M

D

R

T

I

A

C

G

E

T

H

L

Y

K

V

S

T

I

V

T

T

E

Q

A

K

L

L

G

G

I

I

P

P

F

Y

I

V

Y

F

K

K

S

A

S

S

F

F

D

D

K
|
K

A

A

N

N

R

R

S

S

T

I

R

H

S

S

F

Y

R

R

G

G

P

P

G

G

L

L

E

E

Q

E

G

G

L

M

R

K

I

I

L

F

E

Q

K

E

V

L

K

K

Q

Q

D

T

L

F

N

G

V

V

P

K

V

I

L

I

T

T

D

D

V

V

H

H

E

E

D

P

T

S

P

Q

L

A

D

Q

E

P

V

V

A

A

S

D

V

V

D

D

V

V

L

I

Q

Q

T

L

P
|
P

A
|
A

F
|
F

L

L

C

A

R

R

Q

Q

T

T

N

D

F

L

I

V

Q

E

N

A

V

M

A

A

R

K

Q

T

G

G

L

A

P

V

V

I

N

N

I

V

K
|
K

K

K

G

P

Q

Q

F

F

L

V

A

S

P

P

W

G

D

Q

M

M

D

G

N

N

V

I

V

V

D

D

K

K

A

F

R

K

E

E

V

G

G

G

N

N

D

E

R

K

I

V

M

I

V

L

C

C

E

D

R
|
R

G

G

V

A

S

N

F

F

G

G

Y

Y

N

D

T

N

L

L

I

V

S

V

D

D

M

M

R

L

G

G

L

F

A

S

V

I

M

M

R

K

T

V

-

S

-

G

D

N

C

S

P

P

V

V

V

I

F

F

D

D

A

V

T

T

H
|
H

S

A

V

L

Q

-

P

-

G

-

K

-

G

-

S

-

A

-

S

-

G

-

Q

Q

R

R