SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013011671.1 NCBI__GCF_000025725.1:WP_013011671.1 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, 96% coverage: 10:256/256 of query aligns to 3:250/263 of 3e0iA

query
sites
3e0iA

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C
|
C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

-

L

G

G

A

D

T
x
K

S
|
S

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E
|
E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D

D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding copper (ii) ion: C10 (= C17), H184 (= H191), E221 (= E227)
binding phosphoenolpyruvate: K40 (= K46), K45 (= K51), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191)
binding phosphate ion: R48 (= R54), S49 (≠ T55), K195 (≠ T201), S196 (= S202)

2a21A Aquifex aeolicus kdo8ps in complex with pep, po4, and zn2+ (see paper)
52% identity, 96% coverage: 10:256/256 of query aligns to 3:250/263 of 2a21A

query
sites
2a21A

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C
|
C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

-

L

G

G

A

D

T

K

S
|
S

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E
|
E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D
|
D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding phosphoenolpyruvate: K40 (= K46), K45 (= K51), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191)
binding phosphate ion: R48 (= R54), S49 (≠ T55), S196 (= S202)
binding zinc ion: C10 (= C17), H184 (= H191), E221 (= E227), D232 (= D238)

1jcyA Aquifex aeolicus kdo8p synthase in complex with r5p, pep and cadmium (see paper)
52% identity, 96% coverage: 10:256/256 of query aligns to 3:250/263 of 1jcyA

query
sites
1jcyA

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q
|
Q

R

L

P

P

G

G

-

L

G

G

A

D

T

K

S
|
S

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D

D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding phosphoenolpyruvate: K40 (= K46), K45 (= K51), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191)
binding ribose-5-phosphate: N47 (= N53), R48 (= R54), S49 (≠ T55), H184 (= H191), Q187 (= Q194), S196 (= S202)

1fwwA Aquifex aeolicus kdo8p synthase in complex with pep, a5p and cadmium (see paper)
52% identity, 96% coverage: 10:256/256 of query aligns to 3:250/263 of 1fwwA

query
sites
1fwwA

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

-

L

G

G

A

D

T

K

S
|
S

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D
|
D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding arabinose-5-phosphate: N47 (= N53), R48 (= R54), S49 (≠ T55), H184 (= H191), S196 (= S202), D232 (= D238)
binding phosphoenolpyruvate: K40 (= K46), K45 (= K51), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191)

1fwtA Aquifex aeolicus kdo8p synthase in complex with pep, e4p and cadmium (see paper)
52% identity, 96% coverage: 10:256/256 of query aligns to 3:250/263 of 1fwtA

query
sites
1fwtA

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

-

L

G

G

A

D

T

K

S
|
S

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D

D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding erythose-4-phosphate: N47 (= N53), R48 (= R54), S49 (≠ T55), S196 (= S202)
binding phosphoenolpyruvate: K40 (= K46), K45 (= K51), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191)

3e12A Cu2+ substituted aquifex aeolicus kdo8ps in complex with kdo8p (see paper)
52% identity, 96% coverage: 10:256/256 of query aligns to 3:245/258 of 3e12A

query
sites
3e12A

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C
|
C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

G

-

A

-

T

-

S

-

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E
|
E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D
|
D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding copper (ii) ion: C10 (= C17), H184 (= H191), E216 (= E227), D227 (= D238)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K40 (= K46), K45 (= K51), N47 (= N53), R48 (= R54), S49 (≠ T55), Q98 (= Q104), K123 (= K129), H184 (= H191), D227 (= D238)
binding phosphate ion: P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159)

2nx1A Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
52% identity, 96% coverage: 10:256/256 of query aligns to 3:250/263 of 2nx1A

query
sites
2nx1A

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

N

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

-

L

G

G

A

D

T

K

S
|
S

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D
|
D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding phosphoenolpyruvate: K40 (= K46), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191)
binding 5-O-phosphono-beta-D-ribofuranose: K45 (= K51), N47 (= N53), R48 (= R54), S49 (≠ T55), S196 (= S202), D232 (= D238)

1pe1A Aquifex aeolicus kdo8ps in complex with cadmium and 2-pga (see paper)
51% identity, 96% coverage: 10:256/256 of query aligns to 4:245/258 of 1pe1A

query
sites
1pe1A

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D
|
D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

A

M

T

R

S

-

G

-

K

-

P

-

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D

D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding 2-phosphoglyceric acid: K41 (= K46), D81 (= D86), Q99 (= Q104), P101 (= P106), A102 (= A107), K124 (= K129), R154 (= R159), H185 (= H191)

1pcwA Aquifex aeolicus kdo8ps in complex with cadmium and app, a bisubstrate inhibitor (see paper)
51% identity, 96% coverage: 10:256/256 of query aligns to 3:244/257 of 1pcwA

query
sites
1pcwA

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q
|
Q

R

L

P

P

G

G

A

M

T

R

S

-

G

-

K

-

P

-

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D
|
D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol: K45 (= K51), N47 (= N53), R48 (= R54), S49 (≠ T55), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191), Q187 (= Q194), D226 (= D238)

1pckA Aquifex aeolicus kdo8ps in complex with z-methyl-pep (see paper)
51% identity, 96% coverage: 10:256/256 of query aligns to 3:245/258 of 1pckA

query
sites
1pckA

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

G

-

A

-

T

-

S

-

G

L

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D

D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding 2-(phosphonooxy)butanoic acid: K40 (= K46), K45 (= K51), N47 (= N53), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191)

2nx3D Structural and mechanistic changes along an engineered path from metallo to non-metallo kdo8p synthase (see paper)
51% identity, 96% coverage: 10:256/256 of query aligns to 2:249/262 of 2nx3D

query
sites
2nx3D

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C
x
N

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

L

P

P

G

G

-

L

G

G

A

D

T
x
K

S
|
S

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F

F

F

M

E

E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D
|
D

G

A

S

P

N

T

M

A

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid: N9 (≠ C17), K44 (= K51), N46 (= N53), R47 (= R54), S48 (≠ T55), Q97 (= Q104), P99 (= P106), A100 (= A107), K122 (= K129), R152 (= R159), H183 (= H191), K194 (≠ T201), S195 (= S202), D231 (= D238)

1jcxA Aquifex aeolicus kdo8p synthase in complex with api and cadmium (see paper)
50% identity, 96% coverage: 10:256/256 of query aligns to 3:242/255 of 1jcxA

query
sites
1jcxA

M

F

F

L

V

V

M

I

A

A

G

G

P

P

C

C

V

A

I

I

E

E

N

S

E

E

S

E

V

L

I

L

M

L

Q

K

I

V

A

G

E

E

T

E

V

I

K

K

T

R

I

L

S

S

E

E

E

K

L

F

K

K

-

E

F

V

T

E

Y

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

I

I

S

H

S

S

Y

F

R

R

G

G

P

H

G

G

L

L

D

E

E

Y

G

G

L

V

R

K

L

A

L

L

Q

R

K

K

I

V

K

K

D

E

T

E

F

F

Q

G

L

L

P

K

I

I

V

T

T

T

D

D

I

I

H

H

E

E

P

S

Y

W

Q

Q

A

A

D

E

A

P

A

V

A

A

E

E

V

V

A

A

D

D

I

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

G

G

K

R

I

A

I

V

N

N

I

V

K
|
K

K

K

A

G

Q

Q

F

F

L

L

D

A

G

P

N

W

D

D

M

T

L

K

Y

N

P

V

V

V

Q

E

K

K

V

L

E

K

Q

F

S

G

G

G

N

A

K

K

Q

E

I

I

I

Y

L

L

T

T

E

E

R
|
R

G

G

S

T

M

T

F

F

G

G

P

Y

G

N

R

N

L

L

V

V

D

D

F

F

T

R

Q

S

I

L

V

P

D

I

M

M

K

K

K

Q

I

W

G

A

Y

-

P

K

V

V

V

I

M

Y

D

D

V

A

T

T

H
|
H

S

S

T

V

Q
|
Q

R

L

P

P

G

-

A

-

T

-

S

-

G

-

G

G

K

M

P

R

E

E

Y

F

A

I

P

F

Y

P

I

L

A

I

K

R

A

A

K

V

A

A

V

V

G

G

V

C

D

D

G

G

F

V

F
|
F

F

M

E
|
E

V

T

H

H

P

P

E

E

P

P

K

E

E

K

A

A

L

L

S

S

D

D

G

A

S

S

N

T

M

Q

V

L

R

P

L

L

S

S

E

Q

F

L

K

E

E

G

L

I

A

E

S

A

T

I

L

L

binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: K40 (= K46), K45 (= K51), N47 (= N53), R48 (= R54), S49 (≠ T55), Q98 (= Q104), P100 (= P106), A101 (= A107), K123 (= K129), R153 (= R159), H184 (= H191), Q187 (= Q194), F211 (= F225), E213 (= E227)

4z1dA Structure of pep and zinc bound kdo8ps from h.Pylori (see paper)
48% identity, 96% coverage: 12:256/256 of query aligns to 4:250/256 of 4z1dA

query
sites
4z1dA

V

L

M

I

A

A

G

G

P

P

C
|
C

V

V

I

I

E

E

N

S

E

L

S

E

V

N

I

L

M

R

Q

S

I

I

A

A

E

T

T

K

V

L

K

Q

T

P

I

L

S

A

E

N

L

E

K

R

F

L

T

D

Y

F

I

Y

F

F

K
|
K

S

A

S

S

F

F

D

D

K

K

A

A

N

N

R

R

T

T

S

S

I

L

S

E

S

S

Y

Y

R

R

G

G

P

P

G

G

L

L

D

E

E

K

G

G

L

L

R

E

L

M

L

L

Q

Q

K

T

I

I

K

K

D

E

T

E

F

F

Q

G

L

Y

P

K

I

I

V

L

T

T

D

D

I

V

H

H

E

E

P

S

Y

Y

Q

Q

A

A

D

S

A

V

A

A

E

K

V

V

A

A

D

D

I

I

L

L

Q
|
Q

I

I

P
|
P

A
|
A

F

F

L

L

C

C

R

R

Q

Q

T

T

D

D

L

L

L

I

V

V

A

E

A

V

A

S

K

Q

T

T

G

N

K

A

I

I

I

V

N

N

I

I

K
|
K

K

K

A

G

Q

Q

F

F

L

M

D

N

G

P

N

K

D

D

M

M

L

Q

Y

Y

P

S

V

V

Q

L

K

K

V

A

E

L

Q

K

S

T

G

R

N

D

K

K

Q

S

I

I

-

Q

-

S

-

P

-

T

-

Y

-

E

-

T

-

A

-

L

-

K

-

N

-

G

-

V

I

W

L

L

T

C

E

E

R
|
R

G

G

S

S

M

S

F

F

G

G

P

Y

G

G

R

N

L

L

V

V

D

D

F

M

T

R

Q

S

I

L

V

K

D

I

M

M

K

R

K

E

I

F

G

A

Y

-

P

P

V

V

V

I

M

F

D

D

V

A

T

T

H
|
H

S

S

T

V

Q

Q

R

M

P

P

G

S

G

-

A

-

T

-

S

-

G

-

K

-

P

-

E

-

Y

F

A

A

P

P

Y

I

I

L

A

A

K

R

A

A

K

A

A

A

V

V

G

G

V

I

D

D

G

G

F

L

F

F

F

A

E
|
E

V

T

H

H

P

V

E

D

P

P

K

K

E

N

A

A

L

L

S

S

D
|
D

G

G

S

A

N

N

M

M

V

L

R

K

L

P

S

D

E

E

F

L

K

E

E

Q

L

L

L

V

A

T

S

D

T

M

L

L

binding phosphoenolpyruvate: K38 (= K46), Q96 (= Q104), P98 (= P106), A99 (= A107), K121 (= K129), R164 (= R159), H195 (= H191)
binding zinc ion: C9 (= C17), H195 (= H191), E221 (= E227), D232 (= D238)

1g7vA Crystal structures of kdo8p synthase in its binary complexes with the mechanism-based inhibitor (see paper)
46% identity, 94% coverage: 12:252/256 of query aligns to 21:264/284 of 1g7vA

query
sites
1g7vA

V

L

M

F

A

G

G

G

P

M

C
x
N

V

V

I

L

E

E

N

S

E

R

S

D

V

L

I

A

M

M

Q

R

I

I

A

C

E

E

T

H

V

Y

K

V

T

T

I

V

S

T

E

Q

E

K

L

L

K

G

F

I

T

P

Y

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

I

I

S

H

S

S

Y

Y

R

R

G

G

P

P

G

G

L

L

D

E

E

E

G

G

L

M

R

K

L

I

L

F

Q

Q

K

E

I

L

K

K

D

Q

T

T

F

F

Q

G

L

V

P

K

I

I

V

I

T

T

D

D

I

V

H

H

E

E

P

P

Y

S

Q

Q

A

A

D

Q

A

P

A

V

A

A

E

D

V

V

A

V

D

D

I

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

G

G

K

A

I

V

I

I

N

N

I

V

K

K

A

P

Q

Q

F

F

L

V

D

S

G

P

N

G

D

Q

M

M

L

G

Y

N

P

I

V

V

Q

D

K

K

V

F

E

K

Q

E

S

G

G

G

N

N

K

E

Q

K

I

V

I

I

L

L

T

C

E

D

R
|
R

G

G

S

A

M

N

F

F

G

G

P

Y

G

D

R

N

L

L

V

V

D

D

F

M

T

L

Q

G

I

F

V

S

D

I

M

M

K

K

I

V

-

S

-

G

G

N

Y

S

P

P

V

V

V

I

M

F

D

D

V

V

T

T

H
|
H

S

A

T

L

Q
|
Q

-

C

R

R

P

D

G

P

G

F

G

G

A

A

T

A

S

S

G

G

K

R

P

R

E

A

Y

Q

A

V

P

A

Y

E

I

L

A

A

K

R

A

A

A

G

K

M

A

A

V

V

G

G

V

L

D

A

G

G

F

L

F

F

F

I

E

E

V

A

H

H

P

P

E

D

P

P

K

E

E

H

A
|
A

L

K

S

C

D
|
D

G
|
G

S
x
P

N

S

M

A

V

L

R

P

L

L

S

A

E

K

F

L

K

E

E

P

L

F

L

L

active site: N26 (≠ C17), K60 (= K51), D250 (= D238)
binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: N62 (= N53), R63 (= R54), F117 (= F108), R168 (= R159), H202 (= H191), Q205 (= Q194), A247 (= A235), G251 (= G239), P252 (≠ S240)

1g7uA Crystal structures of kdo8p synthase in its binary complex with substrate phosphoenol pyruvate (see paper)
45% identity, 94% coverage: 12:252/256 of query aligns to 21:264/284 of 1g7uA

query
sites
1g7uA

V

L

M

F

A

G

G

G

P

M

C

N

V

V

I

L

E

E

N

S

E

R

S

D

V

L

I

A

M

M

Q

R

I

I

A

C

E

E

T

H

V

Y

K

V

T

T

I

V

S

T

E

Q

E

K

L

L

K

G

F

I

T

P

Y

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

I

I

S

H

S

S

Y

Y

R

R

G

G

P

P

G

G

L

L

D

E

E

E

G

G

L

M

R

K

L

I

L

F

Q

Q

K

E

I

L

K

K

D

Q

T

T

F

F

Q

G

L

V

P

K

I

I

V

I

T

T

D

D

I

V

H

H

E

E

P

P

Y

S

Q

Q

A

A

D

Q

A

P

A

V

A

A

E

D

V

V

A

V

D

D

I

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

G

G

K

A

I

V

I

I

N

N

I

V

K

K

A

P

Q

Q

F

F

L

V

D

S

G

P

N

G

D

Q

M

M

L

G

Y

N

P

I

V

V

Q

D

K

K

V

F

E

K

Q

E

S

G

G

G

N

N

K

E

Q

K

I

V

I

I

L

L

T

C

E

D

R
|
R

G

G

S

A

M

N

F

F

G

G

P

Y

G

D

R

N

L

L

V

V

D

D

F

M

T

L

Q

G

I

F

V

S

D

I

M

M

K

K

I

V

-

S

-

G

G

N

Y

S

P

P

V

V

V

I

M

F

D

D

V

V

T

T

H
|
H

S

A

T

L

Q

Q

-

C

R

R

P

D

G

P

G

F

G

V

A

A

T

A

S

S

G

G

K

R

P

R

E

A

Y

Q

A

V

P

A

Y

E

I

L

A

A

K

R

A

A

A

G

K

M

A

A

V

V

G

G

V

L

D

A

G

G

F

L

F

F

F

I

E

E

V

A

H

H

P

P

E

D

P

P

K

E

E

H

A

A

L

K

S

C

D

D

G

G

S

P

N

S

M

A

V

L

R

P

L

L

S

A

E

K

F

L

K

E

E

P

L

F

L

L

binding phosphoenolpyruvate: F117 (= F108), R168 (= R159), H202 (= H191)

1x6uA Kdo8p synthase in it's binary complex with the product kdo8p (see paper)
44% identity, 94% coverage: 12:252/256 of query aligns to 21:252/272 of 1x6uA

query
sites
1x6uA

V

L

M

F

A

G

G

G

P

M

C
x
N

V

V

I

L

E

E

N

S

E

R

S

D

V

L

I

A

M

M

Q

R

I

I

A

C

E

E

T

H

V

Y

K

V

T

T

I

V

S

T

E

Q

E

K

L

L

K

G

F

I

T

P

Y

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

I

I

S

H

S

S

Y

Y

R

R

G

G

P

P

G

G

L

L

D

E

E

E

G

G

L

M

R

K

L

I

L

F

Q

Q

K

E

I

L

K

K

D

Q

T

T

F

F

Q

G

L

V

P

K

I

I

V

I

T

T

D

D

I

V

H

H

E

E

P

P

Y

S

Q

Q

A

A

D

Q

A

P

A

V

A

A

E

D

V

V

A

V

D

D

I

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

G

G

K

A

I

V

I

I

N

N

I

V

K
|
K

K

K

A

P

Q

Q

F

F

L

V

D

S

G

P

N

G

D

Q

M

M

L

G

Y

N

P

I

V

V

Q

D

K

K

V

F

E

K

Q

E

S

G

G

G

N

N

K

E

Q

K

I

V

I

I

L

L

T

C

E

D

R

R

G

G

S

A

M

N

F

F

G

G

P

Y

G

D

R

N

L

L

V

V

D

D

F

M

T

L

Q

G

I

F

V

S

D

I

M

M

K

K

I

V

-

S

-

G

G

N

Y

S

P

P

V

V

V

I

M

F

D
|
D

V

V

T

T

H
|
H

S

A

T

L

Q

Q

R

R

P

-

G

-

A

-

T

-

S

-

G

-

K

-

P

-

E

A

Y

Q

A

V

P

A

Y

E

I

L

A

A

K

R

A

A

A

G

K

M

A

A

V

V

G

G

V

L

D

A

G

G

F

L

F
|
F

F

I

E
|
E

V

A

H

H

P

P

E

D

P

P

K

E

E

H

A

A

L

K

S

C

D
|
D

G

G

S
x
P

N

S

M

A

V

L

R

P

L

L

S

A

E

K

F

L

K

E

E

P

L

F

L

L

active site: N26 (≠ C17), K60 (= K51), D238 (= D238)
binding 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid: N26 (≠ C17), K55 (= K46), N62 (= N53), Q113 (= Q104), F117 (= F108), K138 (= K129), D199 (= D188), H202 (= H191), F225 (= F225), E227 (= E227), P240 (≠ S240)

1phwA Crystal structure of kdo8p synthase in its binary complex with substrate analog 1-deoxy-a5p (see paper)
44% identity, 94% coverage: 12:252/256 of query aligns to 21:252/272 of 1phwA

query
sites
1phwA

V

L

M

F

A

G

G

G

P

M

C
x
N

V

V

I

L

E

E

N

S

E

R

S

D

V

L

I

A

M

M

Q

R

I

I

A

C

E

E

T

H

V

Y

K

V

T

T

I

V

S

T

E

Q

E

K

L

L

K

G

F

I

T

P

Y

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

I

I

S

H

S

S

Y

Y

R

R

G

G

P

P

G

G

L

L

D

E

E

E

G

G

L

M

R

K

L

I

L

F

Q

Q

K

E

I

L

K

K

D

Q

T

T

F

F

Q

G

L

V

P

K

I

I

V

I

T

T

D

D

I

V

H

H

E

E

P

P

Y

S

Q

Q

A

A

D

Q

A

P

A

V

A

A

E

D

V

V

A

V

D

D

I

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

G

G

K

A

I

V

I

I

N

N

I

V

K
|
K

K

K

A

P

Q

Q

F

F

L

V

D

S

G

P

N

G

D

Q

M

M

L

G

Y

N

P

I

V

V

Q

D

K

K

V

F

E

K

Q

E

S

G

G

G

N

N

K

E

Q

K

I

V

I

I

L

L

T

C

E

D

R
|
R

G

G

S

A

M

N

F

F

G

G

P

Y

G

D

R

N

L

L

V

V

D

D

F

M

T

L

Q

G

I

F

V

S

D

I

M

M

K

K

I

V

-

S

-

G

G

N

Y

S

P

P

V

V

V

I

M

F

D

D

V

V

T

T

H
|
H

S

A

T

L

Q

Q

R

R

P

-

G

-

A

-

T

-

S

-

G

-

K

-

P

-

E

A

Y

Q

A

V

P

A

Y

E

I

L

A

A

K

R

A

A

A

G

K

M

A

A

V

V

G

G

V

L

D

A

G

G

F

L

F

F

F

I

E

E

V

A

H

H

P

P

E

D

P

P

K

E

E

H

A

A

L

K

S

C

D
|
D

G

G

S

P

N

S

M

A

V

L

R

P

L

L

S

A

E

K

F

L

K

E

E

P

L

F

L

L

active site: N26 (≠ C17), K60 (= K51), D238 (= D238)
binding any 5'-monophosphate nucleotide: P115 (= P106), A116 (= A107), F117 (= F108), K138 (= K129), R168 (= R159), H202 (= H191)

1phqA Crystal structure of kdo8p synthase in its binary complex with substrate analog e-fpep
44% identity, 94% coverage: 12:252/256 of query aligns to 21:252/272 of 1phqA

query
sites
1phqA

V

L

M

F

A

G

G

G

P

M

C
x
N

V

V

I

L

E

E

N

S

E

R

S

D

V

L

I

A

M

M

Q

R

I

I

A

C

E

E

T

H

V

Y

K

V

T

T

I

V

S

T

E

Q

E

K

L

L

K

G

F

I

T

P

Y

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

I

I

S

H

S

S

Y

Y

R

R

G

G

P

P

G

G

L

L

D

E

E

E

G

G

L

M

R

K

L

I

L

F

Q

Q

K

E

I

L

K

K

D

Q

T

T

F

F

Q

G

L

V

P

K

I

I

V

I

T

T

D

D

I

V

H

H

E

E

P

P

Y

S

Q

Q

A

A

D

Q

A

P

A

V

A

A

E

D

V

V

A

V

D

D

I

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

G

G

K

A

I

V

I

I

N

N

I

V

K

K

A

P

Q

Q

F

F

L

V

D

S

G

P

N

G

D

Q

M

M

L

G

Y

N

P

I