SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing N515DRAFT_4103 FitnessBrowser__Dyella79:N515DRAFT_4103 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)

Q8Z9S7 Bifunctional protein GlmU; EC 2.7.7.23; EC 2.3.1.157 from Yersinia pestis
52% identity, 100% coverage: 1:455/455 of query aligns to 1:455/456 of Q8Z9S7

query
sites
Q8Z9S7

M

M

K

S

N

N

M

S

P

S

L

M

H

S

V

V

I

V

V

I

L

L

A

A

A

A

G

G

E

K

G

G

K

T

R

R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

P

L

L

A

A

G

G

R

K

P

P

L

M

L

V

A

Q

H

H

V

V

L

I

A

D

A

A

A

A

R

M

A

K

L

L

S

G

A

A

Q

Q

Q

H

I

V

H

H

V

L

V

V

Y

Y

G

G

H

H

G

G

G

G

D

-

Q

E

V

L

L

L

A

K

A

K

F

T

D

L

G

A

Q

D

P

P

D

S

L

L

R

N

W

W

V

V

L

L

Q

Q

A

A

E

E

R

Q

L

L

G

G

T

T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

L

A

K

P

D

H

V

F

P

A

D

D

D

D

A

E

A

D

V

I

L

L

V

M

L

L

Y

Y

G

G

D

D

V

V

P

P

L

L

T

I

Q

S

P

V

S

D

T

T

L

L

R

Q

R

R

L

L

I

L

-

A

-

A

D

K

T

P

D

E

E

G

A

G

L

I

T

G

V

L

L

L

A

T

T

V

R

K

V

L

A

D

D

N

P

P

R

S

G

G

Y

Y

G

G

R

R

V

I

L

V

L

R

D

E

G

-

N

N

G

G

F

D

V

V

R

V

A

G

I

I

V

V

E

E

E

H

K

K

D

D

A

A

S

S

E

D

E

A

Q

Q

R

R

A

E

I

I

D

N

R

E

I

I

N

N

T

T

G

G

I

I

V

L

A

V

A

A

D

N

A

G

A

R

S

D

L

L

K

K

R

R

W

W

T

L

A

S

G

L

L

L

D

D

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

F

Y

Y

L

I

T

T

D

D

I

I

F

I

A

A

M

L

A

A

A

H

T

A

E

D

S

G

R

K

P

K

A

I

F

A

C

T

V

V

E

H

C

P

D

T

D

R

E

L

M

S

E

E

A

V

A

E

G

G

A

V

N

N

N

N

P

R

W

L

Q

Q

L

L

T

S

E

A

L

L

E

E

A

R

V

V

Y

F

R

Q

Q

T

R

E

A

Q

A

A

K

E

A

K

L

L

A

L

L

L

E

A

G

G

V

V

R

M

I

L

A

L

D

D

P

P

A

S

R

R

I

F

D

D

V

L

R

R

G

G

S

E

V

L

T

T

V

H

E

G

R

R

D

D

V

I

D

T

I

I

D

D

I

T

D

N

V

V

I

I

L

I

E

E

G

G

E

H

V

V

H

I

L

L

G

G

E

D

D

R

V

V

R

R

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

C

R

V

L

I

A

G

A

D

G

D

T

S

V

E

V

I

Q

S

A

P

H

Y

C

T

D

V

L

L

E

E

G

D

V

A

V

R

T

L

H

D

G

A

P

N

C

C

T

T

I

V

G

G

P

P

F

F

A

A

R

R

L

L

R
|
R

P

P

G

G

T

A

E

E

L

L

A

A

A

E

G

G

V

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K
|
K

K

K

A

A

K

R

L

L

G

G

E

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

S

Y
|
Y

L

L

G

G

D

D

T

A

V

E

V

I

G

G

A

A

R

G

V

V

N
|
N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

V

T

T

R

R

D

D

A

V

P

A

A

E

G

N

E

E

L

L

T

V

V

I

A

S

R

R

G

V

R

K

Q

Q

A

V

T

H

L

I

H

Q

G

G

W

W

K

K

R

R

P

P

Q

V

K

K

K

K

R333 (= R333) binding
K351 (= K351) binding
Y366 (= Y366) binding
N377 (= N377) binding

P0ACC7 Bifunctional protein GlmU; EC 2.7.7.23; EC 2.3.1.157 from Escherichia coli (strain K12) (see 6 papers)
52% identity, 100% coverage: 1:455/455 of query aligns to 1:455/456 of P0ACC7

query
sites
P0ACC7

M
|
M

K
x
L

N
|
N

M
x
N

P
x
A

L
x
M

H
x
S

V
|
V

I
x
V

V
x
I

L
|
L

A
|
A

A
|
A

G
|
G

E
x
K

G
|
G

K
x
T

R
|
R

M
|
M

K
x
Y

S
|
S

K
x
D

K
x
L

A
x
P

K
|
K

V
|
V

L
|
L

M
x
H

P
x
T

L
|
L

A
|
A

G
|
G

R
x
K

P
x
A

L
x
M

L
x
V

A
x
Q

H
|
H

V
|
V

L
x
I

A
x
D

A
|
A

A
|
A

R
x
N

A
x
E

L
|
L

S
x
G

A
|
A

Q
x
A

Q
x
H

I
x
V

H
|
H

V
x
L

V
|
V

Y
|
Y

G
|
G

H
|
H

G
|
G

G
|
G

D
|
D

Q
x
L

V
x
L

L
x
K

A
x
Q

A
|
A

F
x
L

D
x
K

G

-

Q
x
D

P
x
D

D
x
N

L
|
L

R
x
N

W
|
W

V
|
V

L
|
L

Q
|
Q

A
|
A

E
|
E

R
x
Q

L
|
L

G
|
G

T
|
T

G
|
G

H
|
H

A
|
A

V
x
M

A
x
Q

Q
|
Q

A
|
A

L
x
A

K
x
P

D
x
F

V
x
F

P
x
A

D
|
D

D
|
D

A
x
E

A
x
D

V
x
I

L
|
L

V
x
M

L
|
L

Y
|
Y

G
|
G

D
|
D

V
|
V

P
|
P

L
|
L

T
x
I

Q
x
S

P
x
V

S
x
E

T
|
T

L
|
L

R
x
Q

R
|
R

L
|
L

I
x
R

D
|
D

T
x
A

D
x
K

E
x
P

-
x
Q

-
x
G

A
x
G

L
x
I

T
x
G

V
x
L

L
|
L

A
x
T

T
x
V

R
x
K

V
x
L

A
x
D

D
|
D

P
|
P

R
x
T

G
|
G

Y
|
Y

G
|
G

R
|
R

V
x
I

L
x
T

L
x
R

D
x
E

G

-

N
|
N

G
|
G

F
x
K

V
|
V

R
x
T

A
x
G

I
|
I

V
|
V

E
|
E

E
x
H

K
|
K

D
|
D

A
|
A

S
x
T

E
x
D

E
|
E

Q
|
Q

R
|
R

A
x
Q

I
|
I

D
x
Q

R
x
E

I
|
I

N
|
N

T
|
T

G
|
G

I
|
I

V
x
L

A
x
I

A
|
A

D
x
N

A
x
G

A
|
A

S
x
D

L
x
M

K
|
K

R
|
R

W
|
W

T
x
L

A
|
A

G
x
K

L
|
L

D
x
T

R
x
N

N
|
N

N
|
N

A
|
A

Q
|
Q

G
|
G

E
|
E

Y
|
Y

Y
|
Y

L
x
I

T
|
T

D
|
D

I
|
I

F
x
I

A
|
A

M
x
L

A
|
A

A
x
Y

T
x
Q

E
|
E

S
x
G

R
|
R

P
x
E

A
x
I

F
x
V

C
x
A

V
|
V

E
x
H

C
x
P

D
x
Q

D
x
R

E
x
L

M
x
S

E
|
E

A
x
V

A
x
E

G
|
G

A
x
V

N
|
N

N
|
N

P
x
R

W
x
L

Q
|
Q

L
|
L

T
x
S

E
x
R

L
|
L

E
|
E

A
x
R

V
|
V

Y
|
Y

R
x
Q

Q
x
S

R
x
E

A
x
Q

A
|
A

K
x
E

A
x
K

L
|
L

A
x
L

L
|
L

E
x
A

G
|
G

V
|
V

R
x
M

I
x
L

A
x
R

D
|
D

P
|
P

A
|
A

R
|
R

I
x
F

D
|
D

V
x
L

R
|
R

G
|
G

S
x
T

V
x
L

T
|
T

V
x
H

E
x
G

R
|
R

D
|
D

V
|
V

D
x
E

I
|
I

D
|
D

I
x
T

D
x
N

V
|
V

I
|
I

L
x
I

E
|
E

G
|
G

E
x
N

V
|
V

H
x
T

L
|
L

G
|
G

E
x
H

D
x
R

V
|
V

R
x
K

I
|
I

G
|
G

A
x
T

F
x
G

C
|
C

R
x
V

L
x
I

K
|
K

D
x
N

V
x
S

R
x
V

L
x
I

A
x
G

A
x
D

G
x
D

T
x
C

V
x
E

V
x
I

Q
x
S

A
x
P

H
x
Y

C
x
T

D
x
V

L
x
V

E
|
E

G
x
D

V
x
A

V
x
N

T
x
L

H
x
A

G
x
A

P
x
A

C
|
C

T
|
T

I
|
I

G
|
G

P
|
P

F
|
F

A
|
A

R
|
R

L
|
L

R
|
R

P
|
P

G
|
G

T
x
A

E
|
E

L
|
L

A
x
L

A
x
E

G
|
G

V
x
A

H
|
H

V
|
V

G
|
G

N
|
N

F
|
F

V
|
V

E
|
E

T
x
M

K
|
K

K
|
K

A
|
A

K
x
R

L
|
L

G
|
G

E
x
K

G
|
G

S
|
S

K
|
K

A
|
A

N
x
G

H
|
H

L
|
L

T
|
T

Y
|
Y

L
|
L

G
|
G

D
|
D

T
x
A

V
x
E

V
x
I

G
|
G

A
x
D

R
x
N

V
|
V

N
|
N

I
|
I

G
|
G

A
|
A

G
|
G

T
|
T

I
|
I

T
|
T

C
|
C

N
|
N

Y
|
Y

D
|
D

G
|
G

V
x
A

N
|
N

K
|
K

S
x
F

V
x
K

T
|
T

R
x
I

I
|
I

D
x
G

D
|
D

G
x
D

A
x
V

F
|
F

I
x
V

G
|
G

S
|
S

N
x
D

T
|
T

A
x
Q

L
|
L

V
|
V

A
|
A

P
|
P

V
|
V

R
x
T

V
|
V

G
|
G

E
x
K

N
x
G

A
|
A

T
|
T

I
|
I

G
x
A

A
|
A

G
|
G

S
x
T

V
x
T

I
x
V

T
|
T

R
|
R

D
x
N

A
x
V

P
x
G

A
x
E

G
x
N

E
x
A

L
|
L

T
x
A

V
x
I

A
x
S

R
|
R

G
x
V

R
x
P

Q
|
Q

A
x
T

T
x
Q

L
x
K

H
x
E

G
|
G

W
|
W

K
x
R

R
|
R

P
|
P

Q
x
V

K
|
K

K
|
K

1:229 (vs. 1:229, 49% identical) Pyrophosphorylase
LAAG 11:14 (= LAAG 11:14) binding
G14 (= G14) mutation to A: 8-fold decrease in uridyltransferase activity. Creates steric conflict and decreases affinity for UTP.
R18 (= R18) mutation to A: Dramatically impairs the uridyltransferase activity.
K25 (= K25) mutation to A: 8-fold decrease in uridyltransferase activity.
Q76 (= Q77) binding
GT 81:82 (= GT 82:83) binding
YGD 103:105 (= YGD 104:106) binding
D105 (= D106) binding ; binding
G140 (= G139) binding
E154 (= E154) binding
N169 (= N169) binding
N227 (= N227) binding ; binding
230:250 (vs. 230:250, 43% identical) Linker
C296 (= C296) mutation to A: No effect.
C307 (≠ T307) mutation to A: 1350-fold decrease in acetyltransferase activity.
C324 (= C324) mutation to A: 8-fold decrease in acetyltransferase activity.
R333 (= R333) binding
K351 (= K351) binding
Y366 (= Y366) binding
N377 (= N377) binding
A380 (= A380) binding
C385 (= C385) mutation to A: No effect.
S405 (= S405) binding
A423 (= A423) binding
R440 (= R440) binding

Sites not aligning to the query:

251:456 N-acetyltransferase

2oi6B E. Coli glmu- complex with udp-glcnac, coa and glcn-1-po4 (see paper)
52% identity, 99% coverage: 3:454/455 of query aligns to 1:452/452 of 2oi6B

query
sites
2oi6B

N

N

M

N

P

A

L

M

H

S

V

V

I

V

V

I

L
|
L

A
|
A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

L

A

A

G

G

R

K

P

A

L

M

L

V

A

Q

H

H

V

V

L

I

A

D

A

A

A

A

R

N

A

E

L

L

S

G

A

A

Q

A

Q

H

I

V

H

H

V

L

V

V

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

L

V

L

L

K

A

Q

A

A

F

L

D

K

G

-

Q

D

P

D

D

N

L

L

R

N

W

W

V

V

L

L

Q
|
Q

A

A

E

E

R
x
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

A

D

D

D

D

A

E

A

D

V

I

L

L

V

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

T

I

Q

S

P

V

S

E

T

T

L

L

R

Q

R

R

L

L

I

R

D

D

T

A

D

K

E

P

-

Q

-

G

A

G

L

I

T

G

V

L

L

L

A

T

T

V

R

K

V

L

A

D

D

D

P

P

R

T

G

G

Y
|
Y

G
|
G

R

R

V

I

L

T

L

R

D

E

G

-

N

N

G

G

F

K

V

V

R

T

A

G

I

I

V

V

E
|
E

E

H

K

K

D

D

A

A

S

T

E

D

E

E

Q

Q

R

R

A

Q

I

I

D

Q

R

E

I

I

N
|
N

T
|
T

G

G

I

I

V

L

A

I

A

A

D

N

A

G

A

A

S

D

L

M

K

K

R

R

W

W

T

L

A

A

G

K

L

L

D

T

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

I

T
|
T

D

D

I

I

F

I

A

A

M

L

A

A

A

Y

T

Q

E

E

S

G

R

R

P

E

A

I

F

V

C

A

V

V

E

H

C

P

D

Q

D

R

E

L

M

S

E

E

A

V

A

E

G

G

A

V

N
|
N

N

N

P

R

W

L

Q

Q

L

L

T

S

E

R

L

L

E

E

A

R

V

V

Y

Y

R

Q

Q

S

R

E

A

Q

A

A

K

E

A

K

L

L

A

L

L

L

E

A

G

G

V

V

R

M

I

L

A

R

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

T

V

H

E

G

R

R

D

D

V

V

D

E

I

I

D

D

I

T

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

T

L

L

G

G

E

H

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

I

K

K

D

N

V

S

R

V

L

I

A

G

A

D

G

D

T

C

V

E

V

I

Q

S

A

P

H

Y

C

T

D

V

L

V

E

E

G

D

V

A

V

N

T

L

H

A

G

A

P

A

C

C

T

T

I

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

L

A

E

G

G

V

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

M

K

K

K

K

A

A

K

R

L

L

G

G

E

K

G

G

S

S

K

K

A

A

N

G

H
|
H

L

L

T

T

Y

Y

L

L

G

G

D

D

T

A

V

E

V

I

G

G

A

D

R

N

V

V

N
|
N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G
|
G

S
|
S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

G

G

E

K

N

G

A

A

T

T

I

I

G
x
A

A
|
A

G

G

S

T

V

T

I

V

T

T

R

R

D

N

A

V

P

G

A

E

G

N

E

A

L

L

T

A

V

I

A

S

R
|
R

G

V

R

P

Q

Q

A

T

T

Q

L

K

H

E

G

G

W

W

K

R

R

R

P

P

Q

V

K

K

active site: R16 (= R18)
binding coenzyme a: G402 (= G404), S403 (= S405), A420 (≠ G422), A421 (= A423), R438 (= R440)
binding 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: H361 (= H363), N375 (= N377)
binding magnesium ion: D103 (= D106), N225 (= N227)
binding uridine-diphosphate-n-acetylglucosamine: L9 (= L11), A10 (= A12), A11 (= A13), G12 (= G14), Q74 (= Q77), Q77 (≠ R80), G79 (= G82), T80 (= T83), Y101 (= Y104), D103 (= D106), Y137 (= Y138), G138 (= G139), E152 (= E154), N167 (= N169), T168 (= T170), T197 (= T199), N225 (= N227)

1hv9B Structure of e. Coli glmu: analysis of pyrophosphorylase and acetyltransferase active sites (see paper)
52% identity, 99% coverage: 3:452/455 of query aligns to 1:450/450 of 1hv9B

query
sites
1hv9B

N

N

M

N

P

A

L

M

H

S

V

V

I

V

V

I

L
|
L

A
|
A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

L

A

A

G

G

R

K

P

A

L

M

L

V

A

Q

H

H

V

V

L

I

A

D

A

A

A

A

R

N

A

E

L

L

S

G

A

A

Q

A

Q

H

I

V

H

H

V

L

V

V

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

L

V

L

L

K

A

Q

A

A

F

L

D

K

G

-

Q

D

P

D

D

N

L

L

R

N

W

W

V

V

L

L

Q
|
Q

A

A

E

E

R
x
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

A

D

D

D

D

A

E

A

D

V

I

L

L

V

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

T

I

Q

S

P

V

S

E

T

T

L

L

R

Q

R

R

L

L

I

R

D

D

T

A

D

K

E

P

-

Q

-

G

A

G

L

I

T

G

V

L

L

L

A

T

T

V

R

K

V

L

A

D

D

D

P

P

R

T

G

G

Y
|
Y

G
|
G

R

R

V

I

L

T

L

R

D

E

G

-

N

N

G

G

F

K

V

V

R

T

A

G

I

I

V

V

E
|
E

E

H

K

K

D

D

A

A

S

T

E

D

E

E

Q

Q

R

R

A

Q

I

I

D

Q

R

E

I

I

N
|
N

T

T

G

G

I

I

V

L

A

I

A

A

D

N

A

G

A

A

S

D

L

M

K

K

R

R

W

W

T

L

A

A

G

K

L

L

D

T

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

I

T
|
T

D

D

I

I

F

I

A

A

M

L

A

A

A

Y

T

Q

E

E

S

G

R

R

P

E

A

I

F

V

C

A

V

V

E

H

C

P

D

Q

D

R

E

L

M

S

E

E

A

V

A

E

G

G

A

V

N
|
N

N

N

P

R

W

L

Q

Q

L

L

T

S

E

R

L

L

E

E

A

R

V

V

Y

Y

R

Q

Q

S

R

E

A

Q

A

A

K

E

A

K

L

L

A

L

L

L

E

A

G

G

V

V

R

M

I

L

A

R

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

T

V

H

E

G

R

R

D

D

V

V

D

E

I

I

D

D

I

T

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

T

L

L

G

G

E

H

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

I

K

K

D

N

V

S

R

V

L

I

A

G

A

D

G

D

T

C

V

E

V

I

Q

S

A

P

H

Y

C

T

D

V

L

V

E

E

G

D

V

A

V

N

T

L

H

A

G

A

P

A

C

C

T

T

I

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

L

A

E

G

G

V

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

M

K

K

K

K

A

A

K

R

L

L

G

G

E

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

T

Y

Y

L

L

G

G

D

D

T

A

V

E

V

I

G

G

A

D

R

N

V

V

N

N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G
|
G

S
|
S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

G

G

E

K

N

G

A

A

T

T

I

I

G
x
A

A
|
A

G

G

S

T

V

T

I

V

T

T

R

R

D

N

A

V

P

G

A

E

G

N

E

A

L

L

T

A

V

I

A

S

R
|
R

G

V

R

P

Q

Q

A

T

T

Q

L

K

H

E

G

G

W

W

K

R

R

R

P

P

active site: R16 (= R18)
binding cobalt (ii) ion: D103 (= D106), N225 (= N227)
binding coenzyme a: G402 (= G404), S403 (= S405), A420 (≠ G422), A421 (= A423), R438 (= R440)
binding uridine-diphosphate-n-acetylglucosamine: L9 (= L11), A10 (= A12), A11 (= A13), G12 (= G14), Q74 (= Q77), Q77 (≠ R80), G79 (= G82), T80 (= T83), Y101 (= Y104), D103 (= D106), Y137 (= Y138), G138 (= G139), E152 (= E154), N167 (= N169), T197 (= T199), N225 (= N227)

P43889 Bifunctional protein GlmU; EC 2.7.7.23; EC 2.3.1.157 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see 3 papers)
48% identity, 100% coverage: 1:455/455 of query aligns to 1:455/456 of P43889

query
sites
P43889

M

M

K

T

N

K

M

K

P

A

L

L

H

S

V

A

I

V

V

I

L
|
L

A
|
A

A
|
A

G
|
G

E

K

G

G

K

T

R

R

M

M

K

Y

S

S

K

D

K

L

A

P

K
|
K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R

Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G
|
G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y

Y

G
|
G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E
|
E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N
|
N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A
x
E

G

G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

Q

I

K

K

K

K

LAAG 11:14 (= LAAG 11:14) binding
K25 (= K25) mutation to A: No pyrophosphorylase activity.
Q76 (= Q77) binding ; mutation to A: No pyrophosphorylase activity.
GT 81:82 (= GT 82:83) binding
Y103 (= Y104) mutation to A: Reduces the pyrophosphorylase activity.
YGD 103:105 (= YGD 104:106) binding
D105 (= D106) mutation to A: No pyrophosphorylase activity.
G140 (= G139) binding
E154 (= E154) binding
N169 (= N169) binding
V223 (≠ A223) mutation to A: Reduces slightly the pyrophosphorylase activity.
E224 (≠ A224) mutation to A: Reduces the pyrophosphorylase activity.

4fceA Crystal structure of yersinia pestis glmu in complex with alpha-d- glucosamine 1-phosphate (gp1)
51% identity, 98% coverage: 6:449/455 of query aligns to 3:441/441 of 4fceA

query
sites
4fceA

L

M

H

S

V

V

I

V

V

I

L

L

A

A

A

A

G

G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

P

L

L

A

A

G

G

R

K

P

P

L

M

L

V

A

Q

H

H

V

V

L

I

A

D

A

A

A

A

R

M

A

K

L

L

S

G

A

A

Q

Q

Q

H

I

V

H

H

V

L

V

V

Y

Y

G

G

H

H

G

G

G

G

D

E

Q

L

V

L

L

-

A

-

A

-

F

-

D

-

G

-

Q

K

P

K

D

T

L

L

R

N

W

W

V

V

L

L

Q

Q

A

A

E

E

R

Q

L

L

G

G

T

T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

L

A

K

P

D

H

V

F

P

A

D

D

D

D

A

E

A

D

V

I

L

L

V

M

L

L

Y

Y

G

G

D

D

V

V

P

P

L

L

T

I

Q

S

P

V

S

D

T

T

L

L

R

Q

R

R

L

L

I

L

-

A

-

A

D

K

T

P

D

E

E

G

A

G

L

I

T

G

V

L

L

L

A

T

T

V

R

K

V

L

A

D

D

N

P

P

R

S

G

G

Y

Y

G

G

R

R

V

I

L

V

L

R

D

E

G

-

N

N

G

G

F

D

V

V

R

V

A

G

I

I

V

V

E

E

E

H

K

K

D

D

A

A

S

S

E

D

E

A

Q

Q

R

R

A

E

I

I

D

N

R

E

I

I

N

N

T

T

G

G

I

I

V

L

A

V

A

A

D

N

A

G

A

R

S

D

L

L

K

K

R

R

W

W

T

L

A

S

G

L

L

L

D

D

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

F

Y

Y

L

I

T

T

D

D

I

I

F

I

A

A

M

L

A

A

A

H

T

A

E

D

S

G

R

K

P

K

A

I

F

A

C

T

V

V

E

H

C

P

D

T

D

R

E

L

M

S

E

E

A

V

A

E

G

G

A

V

N

N

N

N

P

R

W

L

Q

Q

L

L

T

S

E

A

L

L

E

E

A

R

V

V

Y

F

R

Q

Q

T

R

E

A

Q

A

A

K

E

A

K

L

L

A

L

L

L

E

A

G

G

V

V

R

M

I

L

A

L

D

D

P

P

A

S

R

R

I

F

D

D

V

L

R

R

G

G

S

E

V

L

T

T

V

H

E

G

R

R

D

D

V

I

D

T

I

I

D

D

I

T

D

N

V

V

I

I

L

I

E

E

G

G

E

H

V

V

H

I

L

L

G

G

E

D

D

R

V

V

R

R

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

C

R

V

L

I

A

G

A

D

G

D

T

S

V

E

V

I

Q

S

A

P

H

Y

C

T

D

V

L

L

E

E

G

D

V

A

V

R

T

L

H

D

G

A

P

N

C

C

T

T

I

V

G

G

P

P

F

F

A

A

R

R

L

L

R
|
R

P

P

G

G

T

A

E

E

L

L

A

A

A

E

G

G

V

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K
|
K

K

K

A

A

K

R

L

L

G

G

E

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

S

Y
|
Y

L

L

G

G

D

D

T

A

V

E

V

I

G

G

A

A

R

G

V

V

N

N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N
|
N

Y
|
Y

D

D

G

G

V

A

N

N

K
|
K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

V

T

T

R

R

D

D

A

V

P

A

A

E

G

N

E

E

L

L

T

V

V

I

A

S

R

R

G

V

R

K

Q

Q

A

V

T

H

L

I

H

Q

G

G

W

W

active site: R15 (= R18)
binding 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: R325 (= R333), K343 (= K351), Y358 (= Y366), N378 (= N386), Y379 (= Y387), K384 (= K392)

2oi7A E. Coli glmu- complex with udp-glcnac, desulpho-coa and glcnac-1-po4 (see paper)
52% identity, 98% coverage: 6:452/455 of query aligns to 3:449/449 of 2oi7A

query
sites
2oi7A

L

M

H

S

V

V

I

V

V

I

L
|
L

A

A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

L

A

A

G

G

R

K

P

A

L

M

L

V

A

Q

H

H

V

V

L

I

A

D

A

A

A

A

R

N

A

E

L

L

S

G

A

A

Q

A

Q

H

I

V

H

H

V

L

V

V

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

L

V

L

L

K

A

Q

A

A

F

L

D

K

G

-

Q

D

P

D

D

N

L

L

R

N

W

W

V

V

L

L

Q
|
Q

A

A

E

E

R
x
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

A

D

D

D

D

A

E

A

D

V

I

L

L

V

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

T

I

Q

S

P

V

S

E

T

T

L

L

R

Q

R

R

L

L

I

R

D

D

T

A

D

K

E

P

-

Q

-

G

A

G

L

I

T

G

V

L

L

L

A

T

T

V

R

K

V

L

A

D

D

D

P

P

R

T

G

G

Y
|
Y

G
|
G

R

R

V

I

L

T

L

R

D

E

G

-

N

N

G

G

F

K

V

V

R

T

A

G

I

I

V

V

E
|
E

E

H

K

K

D

D

A

A

S

T

E

D

E

E

Q

Q

R

R

A

Q

I

I

D

Q

R

E

I

I

N
|
N

T

T

G

G

I

I

V

L

A

I

A

A

D

N

A

G

A

A

S

D

L

M

K

K

R

R

W

W

T

L

A

A

G

K

L

L

D

T

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

I

T
|
T

D

D

I

I

F

I

A

A

M

L

A

A

A

Y

T

Q

E

E

S

G

R

R

P

E

A

I

F

V

C

A

V

V

E

H

C

P

D

Q

D

R

E

L

M

S

E

E

A

V

A

E

G

G

A

V

N

N

N

N

P

R

W

L

Q

Q

L

L

T

S

E

R

L

L

E

E

A

R

V

V

Y

Y

R

Q

Q

S

R

E

A

Q

A

A

K

E

A

K

L

L

A

L

L

L

E

A

G

G

V

V

R

M

I

L

A

R

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

T

V

H

E

G

R

R

D

D

V

V

D

E

I

I

D

D

I

T

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

T

L

L

G

G

E

H

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

I

K

K

D

N

V

S

R

V

L

I

A

G

A

D

G

D

T

C

V

E

V

I

Q

S

A

P

H

Y

C

T

D

V

L

V

E

E

G

D

V

A

V

N

T

L

H

A

G

A

P

A

C

C

T

T

I

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

L

A

E

G

G

V

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

M

K

K

K

K

A

A

K

R

L

L

G

G

E

K

G

G

S

S

K
|
K

A

A

N

G

H
|
H

L

L

T

T

Y

Y

L

L

G

G

D

D

T

A

V

E

V

I

G

G

A

D

R

N

V

V

N
|
N

I

I

G

G

A
|
A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G
|
G

S
|
S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

G

G

E

K

N

G

A

A

T

T

I

I

G
x
A

A
|
A

G

G

S

T

V

T

I

V

T

T

R

R

D

N

A

V

P

G

A

E

G

N

E

A

L

L

T

A

V

I

A

S

R
|
R

G

V

R

P

Q

Q

A

T

T

Q

L

K

H

E

G

G

W

W

K

R

R

R

P

P

active site: R15 (= R18)
binding desulfo-coenzyme a: G401 (= G404), S402 (= S405), A419 (≠ G422), A420 (= A423), R437 (= R440)
binding 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: K357 (= K360), H360 (= H363), N374 (= N377), A377 (= A380)
binding uridine-diphosphate-n-acetylglucosamine: L8 (= L11), A10 (= A13), G11 (= G14), Q73 (= Q77), Q76 (≠ R80), G78 (= G82), T79 (= T83), Y100 (= Y104), D102 (= D106), Y136 (= Y138), G137 (= G139), E151 (= E154), N166 (= N169), T196 (= T199)

2oi5A E. Coli glmu- complex with udp-glcnac and acetyl-coa (see paper)
52% identity, 98% coverage: 6:452/455 of query aligns to 3:449/449 of 2oi5A

query
sites
2oi5A

L

M

H

S

V

V

I

V

V

I

L
|
L

A

A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

L

A

A

G

G

R

K

P

A

L

M

L

V

A

Q

H

H

V

V

L

I

A

D

A

A

A

A

R

N

A

E

L

L

S

G

A

A

Q

A

Q

H

I

V

H

H

V

L

V

V

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

L

V

L

L

K

A

Q

A

A

F

L

D

K

G

-

Q

D

P

D

D

N

L

L

R

N

W

W

V

V

L

L

Q
|
Q

A

A

E

E

R
x
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

A

D

D

D

D

A

E

A

D

V

I

L

L

V

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

T

I

Q

S

P

V

S

E

T

T

L

L

R

Q

R

R

L

L

I

R

D

D

T

A

D

K

E

P

-

Q

-

G

A

G

L

I

T

G

V

L

L

L

A

T

T

V

R

K

V

L

A

D

D

D

P

P

R

T

G

G

Y
|
Y

G
|
G

R

R

V

I

L

T

L

R

D

E

G

-

N

N

G

G

F

K

V

V

R

T

A

G

I

I

V

V

E
|
E

E

H

K

K

D

D

A

A

S

T

E

D

E

E

Q

Q

R

R

A

Q

I

I

D

Q

R

E

I

I

N
|
N

T

T

G

G

I

I

V

L

A

I

A

A

D

N

A

G

A

A

S

D

L

M

K

K

R

R

W

W

T

L

A

A

G

K

L

L

D

T

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y
|
Y

L

I

T
|
T

D

D

I

I

F

I

A

A

M

L

A

A

A

Y

T

Q

E

E

S

G

R

R

P

E

A

I

F

V

C

A

V

V

E

H

C

P

D

Q

D

R

E

L

M

S

E

E

A

V

A

E

G

G

A

V

N

N

N

N

P

R

W

L

Q

Q

L

L

T

S

E

R

L

L

E

E

A

R

V

V

Y

Y

R

Q

Q

S

R

E

A

Q

A

A

K

E

A

K

L

L

A

L

L

L

E

A

G

G

V

V

R

M

I

L

A

R

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

T

V

H

E

G

R

R

D

D

V

V

D

E

I

I

D

D

I

T

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

T

L

L

G

G

E

H

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

I

K

K

D

N

V

S

R

V

L

I

A

G

A

D

G

D

T

C

V

E

V

I

Q

S

A

P

H

Y

C

T

D

V

L

V

E

E

G

D

V

A

V

N

T

L

H

A

G

A

P

A

C

C

T

T

I

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

L

A

E

G

G

V

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

M

K

K

K

K

A

A

K

R

L

L

G

G

E

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

T

Y

Y

L

L

G

G

D

D

T

A

V

E

V

I

G

G

A

D

R

N

V

V

N

N

I

I

G
|
G

A

A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F
|
F

I

V

G
|
G

S
|
S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

G

G

E

K

N

G

A

A

T

T

I

I

G
x
A

A
|
A

G

G

S

T

V

T

I

V

T

T

R

R

D

N

A

V

P

G

A

E

G

N

E

A

L

L

T

A

V

I

A

S

R
|
R

G

V

R

P

Q

Q

A

T

T

Q

L

K

H

E

G

G

W

W

K

R

R

R

P

P

active site: R15 (= R18)
binding acetyl coenzyme *a: G376 (= G379), F399 (= F402), G401 (= G404), S402 (= S405), A419 (≠ G422), A420 (= A423), R437 (= R440)
binding uridine-diphosphate-n-acetylglucosamine: L8 (= L11), A10 (= A13), G11 (= G14), Q73 (= Q77), Q76 (≠ R80), G78 (= G82), T79 (= T83), Y100 (= Y104), D102 (= D106), Y136 (= Y138), G137 (= G139), E151 (= E154), N166 (= N169), Y194 (= Y197), T196 (= T199)

2v0jA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1-phosphate uridyltransferase (glmu) (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/449 of 2v0jA

query
sites
2v0jA

L

L

H

S

V

A

I

V

V

I

L

L

A

A

A
|
A

G

G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R
x
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y

Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A

V

A

E

G

G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding 5,6-dihydrouridine-5'-monophosphate: A10 (= A13), Q73 (= Q77), Q76 (≠ R80), G78 (= G82), T79 (= T83), Y100 (= Y104), D102 (= D106)

4kqlA Hin glmu bound to wg578 (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 4kqlA

query
sites
4kqlA

L

L

H

S

V

A

I

V

V

I

L

L

A
|
A

A
|
A

G

G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R
x
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y
|
Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T
|
T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A

E

G
|
G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide: A9 (= A12), A10 (= A13), Q73 (= Q77), Q76 (≠ R80), G78 (= G82), T79 (= T83), Y100 (= Y104), D102 (= D106), Y136 (= Y138), T167 (= T170), V220 (≠ A223), G222 (= G225)

4kpzA Hin glmu bound to a small molecule fragment (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 4kpzA

query
sites
4kpzA

L

L

H

S

V

A

I

V

V

I

L
|
L

A
|
A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V
|
V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R
x
Q

L

L

G
|
G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y

Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y

Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A

V

A

E

G

G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione: L8 (= L11), A9 (= A12), A10 (= A13), G11 (= G14), V23 (= V26), Q73 (= Q77), Q76 (≠ R80), G78 (= G82), D102 (= D106)

4kpxA Hin glmu bound to wg766 (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 4kpxA

query
sites
4kpxA

L

L

H

S

V

A

I

V

V

I

L
|
L

A
|
A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q

Q

A

T

E

E

R

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y
|
Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T
|
T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A

E

G
|
G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide: L8 (= L11), A9 (= A12), A10 (= A13), G11 (= G14), Y100 (= Y104), D102 (= D106), Y136 (= Y138), T167 (= T170), V220 (≠ A223), G222 (= G225)

4knxA Hin glmu bound to wg176 (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 4knxA

query
sites
4knxA

L

L

H

S

V

A

I

V

V

I

L
|
L

A

A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R
x
Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y
|
Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T
|
T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A

E

G
|
G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid: L8 (= L11), A10 (= A13), G11 (= G14), Q73 (= Q77), Q76 (≠ R80), T79 (= T83), Y100 (= Y104), D102 (= D106), Y136 (= Y138), T167 (= T170), V220 (≠ A223), G222 (= G225)

4knrA Hin glmu bound to wg188 (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 4knrA

query
sites
4knrA

L

L

H

S

V

A

I

V

V

I

L
|
L

A
|
A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q

Q

A

T

E

E

R

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y
|
Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A

E

G

G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide: L8 (= L11), A9 (= A12), A10 (= A13), G11 (= G14), T79 (= T83), Y100 (= Y104), D102 (= D106), Y136 (= Y138), V220 (≠ A223)

4e1kA Glmu in complex with a quinazoline compound (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 4e1kA

query
sites
4e1kA

L

L

H

S

V

A

I

V

V

I

L
|
L

A
|
A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q

Q

A

T

E

E

R

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y
|
Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A
x
E

G

G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide: L8 (= L11), A9 (= A12), A10 (= A13), G11 (= G14), T79 (= T83), Y100 (= Y104), D102 (= D106), Y136 (= Y138), V220 (≠ A223), E221 (≠ A224)

2w0wA Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 2
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 2w0wA

query
sites
2w0wA

L

L

H

S

V

A

I

V

V

I

L
|
L

A

A

A

A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y
|
Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N
|
N

T
|
T

G
|
G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A

E

G
|
G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P
|
P

active site: R15 (= R18)
binding n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide: L8 (= L11), G11 (= G14), Q73 (= Q77), T79 (= T83), Y100 (= Y104), D102 (= D106), Y136 (= Y138), N166 (= N169), T167 (= T170), G168 (= G171), V220 (≠ A223), G222 (= G225), P449 (= P452)

Sites not aligning to the query:

binding n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide: 450

2w0vA Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 1
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 2w0vA

query
sites
2w0vA

L

L

H

S

V

A

I

V

V

I

L
|
L

A

A

A

A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q

Q

A

T

E

E

R

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T
x
V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y

Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T
|
T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A
x
V

A

E

G
|
G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one: L8 (= L11), G11 (= G14), Y100 (= Y104), D102 (= D106), V128 (≠ T130), T167 (= T170), V220 (≠ A223), G222 (= G225)

Sites not aligning to the query:

binding 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one: 450

2vd4A Structure of small-molecule inhibitor of glmu from haemophilus influenzae reveals an allosteric binding site (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 2vd4A

query
sites
2vd4A

L

L

H

S

V

A

I

V

V

I

L

L

A

A

A

A

G

G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q

Q

A

T

E

E

R

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y

Y

G

G

D

D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y
|
Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M
|
M

E

E

A
x
V

A
x
E

G

G

A

A

N

N

N

N

P

R

W

L

Q
|
Q

L

L

T

A

E

A

L
|
L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide: Y136 (= Y138), M218 (= M221), V220 (≠ A223), E221 (≠ A224), Q228 (= Q231), L232 (= L235)

2v0lA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1-phosphate uridyltransferase (glmu) (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 2v0lA

query
sites
2v0lA

L

L

H

S

V

A

I

V

V

I

L

L

A

A

A
|
A

G

G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R
x
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y

Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A

V

A

E

G

G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding uridine: A10 (= A13), Q73 (= Q77), Q76 (≠ R80), G78 (= G82), T79 (= T83), Y100 (= Y104), D102 (= D106)

Sites not aligning to the query:

binding uridine: 450

2v0kA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1- phosphate uridyltransferase (glmu) (see paper)
49% identity, 98% coverage: 6:452/455 of query aligns to 3:449/450 of 2v0kA

query
sites
2v0kA

L

L

H

S

V

A

I

V

V

I

L

L

A

A

A
|
A

G
|
G

E

K

G

G

K

T

R
|
R

M

M

K

Y

S

S

K

D

K

L

A

P

K

K

V

V

L

L

M

H

P

T

L

I

A

A

G

G

R

K

P

P

L

M

L

V

A

K

H

H

V

V

L

I

A

D

A

T

A

A

R

H

A

Q

L

L

S

G

A

S

Q

E

Q

N

I

I

H

H

V

L

V

I

Y

Y

G

G

H

H

G

G

G

G

D

D

Q

-

V

L

L

M

A

R

A

T

F

H

D

L

G

A

Q

N

P

E

D

Q

L

V

R

N

W

W

V

V

L

L

Q
|
Q

A

T

E

E

R
x
Q

L

L

G
|
G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

L

A

K

P

D

F

V

F

P

K

D

D

D

N

A

E

A

N

V

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

Q

T

P

K

S

E

T

T

L

L

R

E

R

K

L

L

I

I

D

E

T

A

-

K

-

P

D

E

E

N

A

G

L

I

T

A

V

L

L

L

A

T

T

V

R

N

V

L

A

D

D

N

P

P

R

T

G

G

Y

Y

G

G

R

R

V

I

L

I

L

R

D

E

G

-

N

N

G

G

F

N

V

V

R

V

A

A

I

I

V

V

E

E

E

Q

K

K

D

D

A

A

S

N

E

A

E

E

Q

Q

R

L

A

N

I

I

D

K

R

E

I

V

N

N

T

T

G

G

I

V

V

M

A

V

A

S

D

D

A

G

A

A

S

S

L

F

K

K

R

K

W

W

T

L

A

A

G

R

L

V

D

G

R

N

N

N

N

N

A

A

Q

Q

G

G

E

E

Y

Y

Y

Y

L

L

T

T

D

D

I

L

F

I

A

A

M

L

A

A

A

N

T

Q

E

D

S

N

R

C

P

Q

A

V

F

V

C

A

V

V

E

Q

C

A

D

T

D

D

E

V

M

M

E

E

A

V

A

E

G

G

A

A

N

N

N

N

P

R

W

L

Q

Q

L

L

T

A

E

A

L

L

E

E

A

R

V

Y

Y

F

R

Q

Q

N

R

K

A

Q

A

A

K

S

A

K

L

L

A

L

L

L

E

E

G

G

V

V

R

M

I

I

A

Y

D

D

P

P

A

A

R

R

I

F

D

D

V

L

R

R

G

G

S

T

V

L

T

E

V

H

E

G

R

K

D

D

V

V

D

E

I

I

D

D

I

V

D

N

V

V

I

I

L

I

E

E

G

G

E

N

V

V

H

K

L

L

G

G

E

D

D

R

V

V

R

K

I

I

G

G

A

T

F

G

C

C

R

V

L

L

K

K

D

N

V

V

R

V

L

I

A

G

A

N

G

D

T

V

V

E

V

I

Q

K

A

P

H

Y

C

S

D

V

L

L

E

E

G

D

V

S

V

I

T

V

H

G

G

E

P

K

C

A

T

A

I

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

T

A

E

E

L

L

A

A

A

A

G

E

V

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

T

I

K

K

K

K

A

S

K

T

L

V

G

G

E

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

L

V

G

G

D

D

T

S

V

E

V

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

V

A

N

N

K

K

S

F

V

K

T

T

R

I

I

I

D

G

D

D

G

D

A

V

F

F

I

V

G

G

S

S

N

D

T

T

A

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

G

A

E

N

N

G

A

A

T

T

I

I

G

G

A

A

G

G

S

T

V

T

I

I

T

T

R

R

D

D

A

V

P

G

A

E

G

N

E

E

L

L

T

V

V

I

A

T

R

R

G

V

R

A

Q

Q

A

R

T

H

L

I

H

Q

G

G

W

W

K

Q

R

R

P

P

active site: R15 (= R18)
binding uridine-5'-diphosphate: A10 (= A13), G11 (= G14), Q73 (= Q77), Q76 (≠ R80), G78 (= G82), Y100 (= Y104), D102 (= D106)

Query Sequence

>N515DRAFT_4103 FitnessBrowser__Dyella79:N515DRAFT_4103
MKNMPLHVIVLAAGEGKRMKSKKAKVLMPLAGRPLLAHVLAAARALSAQQIHVVYGHGGD
QVLAAFDGQPDLRWVLQAERLGTGHAVAQALKDVPDDAAVLVLYGDVPLTQPSTLRRLID
TDEALTVLATRVADPRGYGRVLLDGNGFVRAIVEEKDASEEQRAIDRINTGIVAADAASL
KRWTAGLDRNNAQGEYYLTDIFAMAATESRPAFCVECDDEMEAAGANNPWQLTELEAVYR
QRAAKALALEGVRIADPARIDVRGSVTVERDVDIDIDVILEGEVHLGEDVRIGAFCRLKD
VRLAAGTVVQAHCDLEGVVTHGPCTIGPFARLRPGTELAAGVHVGNFVETKKAKLGEGSK
ANHLTYLGDTVVGARVNIGAGTITCNYDGVNKSVTRIDDGAFIGSNTALVAPVRVGENAT
IGAGSVITRDAPAGELTVARGRQATLHGWKRPQKK

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory