SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 203814 FitnessBrowser__MR1:203814 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
64% identity, 100% coverage: 2:453/454 of query aligns to 5:456/456 of Q8Z9S7

query
sites
Q8Z9S7

A

S

L

M

N

S

V

V

V

V

I

I

L

L

A

A

A

A

G

G

K

K

G

G

T

T

R

R

M

M

R

Y

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S

D

D

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L

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P

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K

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V

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L

H

H

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P

I

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A

A

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K

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S

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M

V

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Q

Q

H

H

V

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I

I

D

D

T

A

A

A

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M

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K

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L

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G

S

A

D

Q

A

H

I

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Q

H

L

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V

Y

Y

G

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Y

H

G

G

A

G

D

E

K

L

L

L

K

K

S

K

T

T

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L

G

A

E

D

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P

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S

L

L

N

N

W

W

I

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L

Q

Q

A

A

E

E

Q

Q

L

L

G

G

T

T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

I

A

P

P

N

H

I

F

D

A

D

D

N

D

D

E

T

D

V

I

L

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I

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L

L

Y

Y

G

G

D

D

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V

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P

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L

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I

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D

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T

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L

E

Q

A

R

L

L

L

L

A

A

A

A

R

K

P

P

E

E

Y

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G

G

V

I

A

G

I

L

L

L

T

T

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V

N

K

L

L

A

D

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N

P

P

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S

G

G

Y

Y

G

G

R

R

I

I

V

V

R

R

E

E

Q

N

G

G

K

D

V

V

V

V

G

G

I

I

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E

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H

K

K

D

D

A

A

N

S

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D

E

A

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Q

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R

A

E

I

I

N

N

E

E

V

I

N

N

T

T

G

G

I

I

M

L

A

V

V

A

P

N

G

G

N

R

A

D

L

L

K

K

T

R

W

W

L

L

D

S

R

L

L

L

S

D

N

N

N

N

N

N

A

A

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G

G

E

E

Y

F

Y

Y

L

I

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T

D

D

I

I

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I

A

A

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L

A

A

H

H

A

A

D

D

G

G

V

K

E

K

I

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N

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T

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A

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H

P

P

Q

T

S

R

A

L

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S

E

E

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V

E

E

G

G

A

V

N

N

N

N

R

R

V

L

Q

Q

L

L

A

S

Q

A

L

L

E

E

R

R

A

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Y

F

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E

E

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A

A

E

E

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K

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L

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L

I

L

A

A

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G

A

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R

L

D

D

P

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S

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I

F

D

D

I

L

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R

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G

E

E

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L

T

T

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H

G

G

M

R

D

D

V

I

M

T

I

I

D

D

V

T

N

N

V

V

I

I

F

I

E

E

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H

V

V

V

I

I

L

G

G

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D

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R

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V

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R

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I

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A

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A

C

I

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I

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D

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E

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D

A

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E

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P

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Y

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T

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L

E

E

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D

A

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K

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L

L

G

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A

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A

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A

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F

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A

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R

P

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G

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E

E

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A

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A

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H

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V

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G

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N

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F

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K

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K

A

A

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R

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L

G

G

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K

G

G

S

S

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K

A

A

G

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H

H

L

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A

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Y
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Y

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L

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G

D

D

A

A

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E

I

I

G

G

A

A

G

G

V

V

N
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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

A

A

N

N

K

K

H

F

L

K

T

T

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I

I

I

E

G

D

D

N

D

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V

F

F

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V

G

G

S

S

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D

T

T

Q

Q

L

L

V

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A

A

P

P

V

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T

T

I

V

G

A

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N

G

G

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A

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T

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I

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G

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A

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G

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E

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D

N

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E

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R

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V

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K

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Q

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H

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K

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I

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K

K

R333 (= R330) binding
K351 (= K348) binding
Y366 (= Y363) binding
N377 (= N374) binding

4fceA Crystal structure of yersinia pestis glmu in complex with alpha-d- glucosamine 1-phosphate (gp1)
64% identity, 98% coverage: 2:446/454 of query aligns to 2:441/441 of 4fceA

query
sites
4fceA

A

S

L

M

N

S

V

V

V

V

I

I

L

L

A

A

A

A

G

G

K

K

G

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T

T

R
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R

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M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

P

I

L

A

A

H

G

K

K

S

P

M

M

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V

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Q

H

H

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V

I

I

D

D

T

A

A

A

H

M

S

K

I

L

G

G

S

A

D

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A

H

I

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Q

H

L

L

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V

Y

Y

G

G

Y

H

G

G

A

G

D

E

K

L

L

L

K

K

S

K

T

T

L

L

G

-

E

-

Q

-

K

-

L

-

N

N

W

W

I

V

L

L

Q

Q

A

A

E

E

Q

Q

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L

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G

T

T

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G

H

H

A

A

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M

A

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Q

Q

A

A

I

A

P

P

N

H

I

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D

A

D

D

N

D

D

E

T

D

V

I

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L

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M

L

L

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Y

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G

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D

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V

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P

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L

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I

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A

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S

D

T

T

L

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E

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A

R

L

L

L

L

A

A

A

A

R

K

P

P

E

E

Y

G

G

G

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I

A

G

I

L

L

L

T

T

V

V

N

K

L

L

A

D

N

N

P

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M

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G

G

Y

Y

G

G

R

R

I

I

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R

E

E

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N

G

G

K

D

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V

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V

G

G

I

I

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V

E

E

Q

H

K

K

D

D

A

A

N

S

P

D

E

A

Q

Q

L

R

A

E

I

I

N

N

E

E

V

I

N

N

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T

G

G

I

I

M

L

A

V

V

A

P

N

G

G

N

R

A

D

L

L

K

K

T

R

W

W

L

L

D

S

R

L

L

L

S

D

N

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

I

I

A

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M

L

A

A

H

H

A

A

D

D

G

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V

K

E

K

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A

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H

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P

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T

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R

A

L

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E

E

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E

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G

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A

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N

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N

N

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A

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L

E

E

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R

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F

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A

A

E

E

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L

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M

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I

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A

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A

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L

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E

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D

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E

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I

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A

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G

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P

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F

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A

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R

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P

G

G

A

A

E

E

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L

M

A

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E

D

G

A

A

H

H

I

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G

G

N

N

F

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K

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K

A

A

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L

G

G

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G

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K

A

A

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G

H

H

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L

A

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Y
|
Y

L

L

G

G

D

D

A

A

Q

E

I

I

G

G

A

A

G

G

V

V

N

N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N
|
N

Y
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Y

D

D

G

G

A

A

N

N

K
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K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

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D

T

T

Q

Q

L

L

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V

A

A

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P

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V

T

T

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V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

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T

T

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R

D

D

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V

G

A

E

E

D

N

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E

L

L

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I

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R

V

V

K

K

Q

Q

K

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H

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L

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G

G

W

W

active site: R15 (= R15)
binding 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: R325 (= R330), K343 (= K348), Y358 (= Y363), N378 (= N383), Y379 (= Y384), K384 (= K389)

P0ACC7 Bifunctional protein GlmU; EC 2.7.7.23; EC 2.3.1.157 from Escherichia coli (strain K12) (see 6 papers)
63% identity, 100% coverage: 2:453/454 of query aligns to 5:456/456 of P0ACC7

query
sites
P0ACC7

A
|
A

L
x
M

N
x
S

V
|
V

V
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V

I
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I

L
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L

A
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A

A
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A

G
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G

K
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K

G
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G

T
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T

R
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R

M
|
M

R
x
Y

S
|
S

D
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D

L
|
L

P
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P

K
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K

V
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V

L
|
L

H
|
H

P
x
T

I
x
L

A
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A

H
x
G

K
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K

S
x
A

M
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M

V
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V

Q
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Q

H
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H

V
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V

I
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I

D
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D

T
x
A

A
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A

H
x
N

S
x
E

I
x
L

G
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G

S
x
A

D
x
A

A
x
H

I
x
V

Q
x
H

L
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L

V
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V

Y
|
Y

G
|
G

Y
x
H

G
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G

A
x
G

D
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D

K
x
L

L
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L

K
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K

S
x
Q

T
x
A

L
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L

G
x
K

E
x
D

Q
x
D

K
x
N

L
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L

N
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N

W
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W

I
x
V

L
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L

Q
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Q

A
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A

E
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E

Q
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Q

L
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L

G
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G

T
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T

G
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G

H
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H

A
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A

V
x
M

A
x
Q

Q
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Q

A
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A

I
x
A

P
|
P

N
x
F

I
x
F

D
x
A

D
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D

N
x
D

D
x
E

T
x
D

V
x
I

L
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L

I
x
M

L
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L

Y
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Y

G
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G

D
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D

V
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V

P
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P

L
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L

I
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I

Q
x
S

A
x
V

S
x
E

T
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T

L
|
L

E
x
Q

A
x
R

L
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L

L
x
R

A
x
D

A
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A

R
x
K

P
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P

E
x
Q

Y
x
G

G
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G

V
x
I

A
x
G

I
x
L

L
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L

T
|
T

V
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V

N
x
K

L
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L

A
x
D

N
x
D

P
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P

M
x
T

G
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G

Y
|
Y

G
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G

R
|
R

I
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I

V
x
T

R
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R

E
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E

Q
x
N

G
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G

K
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K

V
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V

V
x
T

G
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G

I
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I

V
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V

E
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E

Q
x
H

K
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K

D
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D

A
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A

N
x
T

P
x
D

E
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E

Q
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Q

L
x
R

A
x
Q

I
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I

N
x
Q

E
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E

V
x
I

N
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N

T
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T

G
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G

I
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I

M
x
L

A
x
I

V
x
A

P
x
N

G
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G

N
x
A

A
x
D

L
x
M

K
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K

T
x
R

W
|
W

L
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L

D
x
A

R
x
K

L
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L

S
x
T

N
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N

N
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N

N
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N

A
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A

Q
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Q

G
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G

E
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E

Y
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Y

Y
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Y

L
x
I

T
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T

D
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D

I
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I

I
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I

A
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A

M
x
L

A
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A

H
x
Y

A
x
Q

D
x
E

G
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G

V
x
R

E
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E

I
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I

N
x
V

T
x
A

A
x
V

Q
x
H

P
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P

Q
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Q

S
x
R

A
x
L

I
x
S

E
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E

V
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V

E
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E

G
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G

A
x
V

N
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N

N
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N

R
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R

V
x
L

Q
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Q

L
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L

A
x
S

Q
x
R

L
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L

E
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E

R
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R

A
x
V

Y
|
Y

Q
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Q

A
x
S

R
x
E

E
x
Q

A
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A

E
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E

K
|
K

L
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L

M
x
L

I
x
L

A
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A

G
|
G

A
x
V

N
x
M

L
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L

R
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R

D
|
D

P
|
P

S
x
A

R
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R

I
x
F

D
|
D

I
x
L

R
|
R

G
|
G

E
x
T

V
x
L

T
|
T

V
x
H

G
|
G

M
x
R

D
|
D

V
|
V

M
x
E

I
|
I

D
|
D

V
x
T

N
|
N

V
|
V

I
|
I

F
x
I

E
|
E

G
|
G

K
x
N

V
|
V

V
x
T

I
x
L

G
|
G

N
x
H

N
x
R

V
|
V

T
x
K

I
|
I

G
|
G

A
x
T

G
|
G

A
x
C

I
x
V

I
|
I

I
x
K

D
x
N

T
x
S

E
x
V

I
|
I

A
x
G

D
|
D

N
x
D

A
x
C

E
|
E

I
|
I

K
x
S

P
|
P

Y
|
Y

S
x
T

I
x
V

I
x
V

E
|
E

G
x
D

A
|
A

K
x
N

L
|
L

G
x
A

V
x
A

A
|
A

A
x
C

S
x
T

A
x
I

G
|
G

P
|
P

F
|
F

A
|
A

R
|
R

L
|
L

R
|
R

P
|
P

G
|
G

A
|
A

E
|
E

L
|
L

M
x
L

Q
x
E

D
x
G

A
|
A

H
|
H

I
x
V

G
|
G

N
|
N

F
|
F

V
|
V

E
|
E

M
|
M

K
|
K

K
|
K

A
|
A

V
x
R

L
|
L

G
|
G

V
x
K

G
|
G

S
|
S

K
|
K

A
|
A

G
|
G

H
|
H

L
|
L

A
x
T

Y
|
Y

L
|
L

G
|
G

D
|
D

A
|
A

Q
x
E

I
|
I

G
|
G

A
x
D

G
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

A
|
A

N
|
N

K
|
K

H
x
F

L
x
K

T
|
T

V
x
I

I
|
I

E
x
G

D
|
D

N
x
D

V
|
V

F
|
F

V
|
V

G
|
G

S
|
S

D
|
D

T
|
T

Q
|
Q

L
|
L

V
|
V

A
|
A

P
|
P

V
|
V

T
|
T

I
x
V

G
|
G

K
|
K

G
|
G

A
|
A

T
|
T

L
x
I

G
x
A

A
|
A

G
|
G

S
x
T

T
|
T

I
x
V

T
|
T

R
|
R

D
x
N

V
|
V

G
|
G

E
|
E

D
x
N

E
x
A

L
|
L

V
x
A

I
|
I

T
x
S

R
|
R

V
|
V

K
x
P

Q
|
Q

K
x
T

H
x
Q

L
x
K

T
x
E

G
|
G

W
|
W

Q
x
R

R
|
R

P
|
P

V
|
V

K
|
K

I
x
K

K
|
K

LAAG 11:14 (= LAAG 8:11) binding
G14 (= G11) mutation to A: 8-fold decrease in uridyltransferase activity. Creates steric conflict and decreases affinity for UTP.
R18 (= R15) mutation to A: Dramatically impairs the uridyltransferase activity.
K25 (= K22) mutation to A: 8-fold decrease in uridyltransferase activity.
Q76 (= Q73) binding
GT 81:82 (= GT 78:79) binding
YGD 103:105 (= YGD 100:102) binding
D105 (= D102) binding ; binding
G140 (= G137) binding
E154 (= E151) binding
N169 (= N166) binding
N227 (= N224) binding ; binding
230:250 (vs. 227:247, 57% identical) Linker
251:456 (vs. 248:453, 66% identical) N-acetyltransferase
C296 (≠ A293) mutation to A: No effect.
C307 (≠ A304) mutation to A: 1350-fold decrease in acetyltransferase activity.
C324 (≠ A321) mutation to A: 8-fold decrease in acetyltransferase activity.
R333 (= R330) binding
K351 (= K348) binding
Y366 (= Y363) binding
N377 (= N374) binding
A380 (= A377) binding
C385 (= C382) mutation to A: No effect.
S405 (= S402) binding
A423 (= A420) binding
R440 (= R437) binding

Sites not aligning to the query:

1:229 Pyrophosphorylase

2oi6B E. Coli glmu- complex with udp-glcnac, coa and glcn-1-po4 (see paper)
63% identity, 99% coverage: 2:451/454 of query aligns to 3:452/452 of 2oi6B

query
sites
2oi6B

A

A

L

M

N

S

V

V

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

L

A

A

H

G

K

K

S

A

M

M

V

V

Q

Q

H

H

V

V

I

I

D

D

T

A

A

A

H

N

S

E

I

L

G

G

S

A

D

A

A

H

I

V

Q

H

L

L

V

V

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

L

K

K

S

Q

T

A

L

L

G

K

E

D

Q

D

K

N

L

L

N

N

W

W

I

V

L

L

Q
|
Q

A

A

E

E

Q
|
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

A

D

D

N

D

D

E

T

D

V

I

L

L

I

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

I

I

Q

S

A

V

S

E

T

T

L

L

E

Q

A

R

L

L

L

R

A

D

A

A

R

K

P

P

E

Q

Y

G

G

G

V

I

A

G

I

L

L

L

T

T

V

V

N

K

L

L

A

D

N

D

P

P

M

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

T

R

R

E

E

Q

N

G

G

K

K

V

V

V

T

G

G

I

I

V

V

E
|
E

Q

H

K

K

D

D

A

A

N

T

P

D

E

E

Q

Q

L

R

A

Q

I

I

N

Q

E

E

V

I

N
|
N

T
|
T

G

G

I

I

M

L

A

I

V

A

P

N

G

G

N

A

A

D

L

M

K

K

T

R

W

W

L

L

D

A

R

K

L

L

S

T

N

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

I

I

A

A

M

L

A

A

H

Y

A

Q

D

E

G

G

V

R

E

E

I

I

N

V

T

A

A

V

Q

H

P

P

Q

Q

S

R

A

L

I

S

E

E

V

V

E

E

G

G

A

V

N
|
N

N

N

R

R

V

L

Q

Q

L

L

A

S

Q

R

L

L

E

E

R

R

A

V

Y

Y

Q

Q

A

S

R

E

E

Q

A

A

E

E

K

K

L

L

M

L

I

L

A

A

G

G

A

V

N

M

L

L

R

R

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

T

V

H

G

G

M

R

D

D

V

V

M

E

I

I

D

D

V

T

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

T

I

L

G

G

N

H

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

I

I

K

D

N

T

S

E

V

I

I

A

G

D

D

N

D

A

C

E

E

I

I

K

S

P

P

Y

Y

S

T

I

V

I

V

E

E

G

D

A

A

K

N

L

L

G

A

V

A

A

A

A

C

S

T

A

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

L

Q

E

D

G

A

A

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

M

K

K

K

K

A

A

V

R

L

L

G

G

V

K

G

G

S

S

K

K

A

A

G

G

H
|
H

L

L

A

T

Y

Y

L

L

G

G

D

D

A

A

Q

E

I

I

G

G

A

D

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G
|
G

S
|
S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

T

I

V

G

G

K

K

G

G

A

A

T

T

L

I

G
x
A

A
|
A

G

G

S

T

T

T

I

V

T

T

R

R

D

N

V

V

G

G

E

E

D

N

E

A

L

L

V

A

I

I

T

S

R
|
R

V

V

K

P

Q

Q

K

T

H

Q

L

K

T

E

G

G

W

W

Q

R

R

R

P

P

V

V

K

K

active site: R16 (= R15)
binding coenzyme a: G402 (= G401), S403 (= S402), A420 (≠ G419), A421 (= A420), R438 (= R437)
binding 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: H361 (= H360), N375 (= N374)
binding magnesium ion: D103 (= D102), N225 (= N224)
binding uridine-diphosphate-n-acetylglucosamine: L9 (= L8), A10 (= A9), A11 (= A10), G12 (= G11), Q74 (= Q73), Q77 (= Q76), G79 (= G78), T80 (= T79), Y101 (= Y100), D103 (= D102), Y137 (= Y136), G138 (= G137), E152 (= E151), N167 (= N166), T168 (= T167), T197 (= T196), N225 (= N224)

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)
61% identity, 100% coverage: 2:453/454 of query aligns to 5:456/456 of P43889

query
sites
P43889

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

K

K

G

G

T

T

R

R

M

M

R

Y

S

S

D

D

L

L

P

P

K
|
K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q

Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G
|
G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y

Y

G
|
G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E
|
E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N
|
N

T

T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E
|
E

G

G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

K

K

I

K

K

K

LAAG 11:14 (= LAAG 8:11) binding
K25 (= K22) mutation to A: No pyrophosphorylase activity.
Q76 (= Q73) binding ; mutation to A: No pyrophosphorylase activity.
GT 81:82 (= GT 78:79) binding
Y103 (= Y100) mutation to A: Reduces the pyrophosphorylase activity.
YGD 103:105 (= YGD 100:102) binding
D105 (= D102) mutation to A: No pyrophosphorylase activity.
G140 (= G137) binding
E154 (= E151) binding
N169 (= N166) binding
V223 (= V220) mutation to A: Reduces slightly the pyrophosphorylase activity.
E224 (= E221) mutation to A: Reduces the pyrophosphorylase activity.

1hv9B Structure of e. Coli glmu: analysis of pyrophosphorylase and acetyltransferase active sites (see paper)
63% identity, 99% coverage: 2:449/454 of query aligns to 3:450/450 of 1hv9B

query
sites
1hv9B

A

A

L

M

N

S

V

V

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

L

A

A

H

G

K

K

S

A

M

M

V

V

Q

Q

H

H

V

V

I

I

D

D

T

A

A

A

H

N

S

E

I

L

G

G

S

A

D

A

A

H

I

V

Q

H

L

L

V

V

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

L

K

K

S

Q

T

A

L

L

G

K

E

D

Q

D

K

N

L

L

N

N

W

W

I

V

L

L

Q
|
Q

A

A

E

E

Q
|
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

A

D

D

N

D

D

E

T

D

V

I

L

L

I

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

I

I

Q

S

A

V

S

E

T

T

L

L

E

Q

A

R

L

L

L

R

A

D

A

A

R

K

P

P

E

Q

Y

G

G

G

V

I

A

G

I

L

L

L

T

T

V

V

N

K

L

L

A

D

N

D

P

P

M

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

T

R

R

E

E

Q

N

G

G

K

K

V

V

V

T

G

G

I

I

V

V

E
|
E

Q

H

K

K

D

D

A

A

N

T

P

D

E

E

Q

Q

L

R

A

Q

I

I

N

Q

E

E

V

I

N
|
N

T

T

G

G

I

I

M

L

A

I

V

A

P

N

G

G

N

A

A

D

L

M

K

K

T

R

W

W

L

L

D

A

R

K

L

L

S

T

N

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

I

I

A

A

M

L

A

A

H

Y

A

Q

D

E

G

G

V

R

E

E

I

I

N

V

T

A

A

V

Q

H

P

P

Q

Q

S

R

A

L

I

S

E

E

V

V

E

E

G

G

A

V

N
|
N

N

N

R

R

V

L

Q

Q

L

L

A

S

Q

R

L

L

E

E

R

R

A

V

Y

Y

Q

Q

A

S

R

E

E

Q

A

A

E

E

K

K

L

L

M

L

I

L

A

A

G

G

A

V

N

M

L

L

R

R

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

T

V

H

G

G

M

R

D

D

V

V

M

E

I

I

D

D

V

T

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

T

I

L

G

G

N

H

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

I

I

K

D

N

T

S

E

V

I

I

A

G

D

D

N

D

A

C

E

E

I

I

K

S

P

P

Y

Y

S

T

I

V

I

V

E

E

G

D

A

A

K

N

L

L

G

A

V

A

A

A

A

C

S

T

A

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

L

Q

E

D

G

A

A

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

M

K

K

K

K

A

A

V

R

L

L

G

G

V

K

G

G

S

S

K

K

A

A

G

G

H

H

L

L

A

T

Y

Y

L

L

G

G

D

D

A

A

Q

E

I

I

G

G

A

D

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G
|
G

S
|
S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

T

I

V

G

G

K

K

G

G

A

A

T

T

L

I

G
x
A

A
|
A

G

G

S

T

T

T

I

V

T

T

R

R

D

N

V

V

G

G

E

E

D

N

E

A

L

L

V

A

I

I

T

S

R
|
R

V

V

K

P

Q

Q

K

T

H

Q

L

K

T

E

G

G

W

W

Q

R

R

R

P

P

active site: R16 (= R15)
binding cobalt (ii) ion: D103 (= D102), N225 (= N224)
binding coenzyme a: G402 (= G401), S403 (= S402), A420 (≠ G419), A421 (= A420), R438 (= R437)
binding uridine-diphosphate-n-acetylglucosamine: L9 (= L8), A10 (= A9), A11 (= A10), G12 (= G11), Q74 (= Q73), Q77 (= Q76), G79 (= G78), T80 (= T79), Y101 (= Y100), D103 (= D102), Y137 (= Y136), G138 (= G137), E152 (= E151), N167 (= N166), T197 (= T196), N225 (= N224)

2oi7A E. Coli glmu- complex with udp-glcnac, desulpho-coa and glcnac-1-po4 (see paper)
63% identity, 99% coverage: 2:449/454 of query aligns to 2:449/449 of 2oi7A

query
sites
2oi7A

A

A

L

M

N

S

V

V

V

V

I

I

L
|
L

A

A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

L

A

A

H

G

K

K

S

A

M

M

V

V

Q

Q

H

H

V

V

I

I

D

D

T

A

A

A

H

N

S

E

I

L

G

G

S

A

D

A

A

H

I

V

Q

H

L

L

V

V

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

L

K

K

S

Q

T

A

L

L

G

K

E

D

Q

D

K

N

L

L

N

N

W

W

I

V

L

L

Q
|
Q

A

A

E

E

Q
|
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

A

D

D

N

D

D

E

T

D

V

I

L

L

I

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

I

I

Q

S

A

V

S

E

T

T

L

L

E

Q

A

R

L

L

L

R

A

D

A

A

R

K

P

P

E

Q

Y

G

G

G

V

I

A

G

I

L

L

L

T

T

V

V

N

K

L

L

A

D

N

D

P

P

M

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

T

R

R

E

E

Q

N

G

G

K

K

V

V

V

T

G

G

I

I

V

V

E
|
E

Q

H

K

K

D

D

A

A

N

T

P

D

E

E

Q

Q

L

R

A

Q

I

I

N

Q

E

E

V

I

N
|
N

T

T

G

G

I

I

M

L

A

I

V

A

P

N

G

G

N

A

A

D

L

M

K

K

T

R

W

W

L

L

D

A

R

K

L

L

S

T

N

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

I

I

A

A

M

L

A

A

H

Y

A

Q

D

E

G

G

V

R

E

E

I

I

N

V

T

A

A

V

Q

H

P

P

Q

Q

S

R

A

L

I

S

E

E

V

V

E

E

G

G

A

V

N

N

N

N

R

R

V

L

Q

Q

L

L

A

S

Q

R

L

L

E

E

R

R

A

V

Y

Y

Q

Q

A

S

R

E

E

Q

A

A

E

E

K

K

L

L

M

L

I

L

A

A

G

G

A

V

N

M

L

L

R

R

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

T

V

H

G

G

M

R

D

D

V

V

M

E

I

I

D

D

V

T

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

T

I

L

G

G

N

H

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

I

I

K

D

N

T

S

E

V

I

I

A

G

D

D

N

D

A

C

E

E

I

I

K

S

P

P

Y

Y

S

T

I

V

I

V

E

E

G

D

A

A

K

N

L

L

G

A

V

A

A

A

A

C

S

T

A

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

L

Q

E

D

G

A

A

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

M

K

K

K

K

A

A

V

R

L

L

G

G

V

K

G

G

S

S

K
|
K

A

A

G

G

H
|
H

L

L

A

T

Y

Y

L

L

G

G

D

D

A

A

Q

E

I

I

G

G

A

D

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G
|
G

S
|
S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

T

I

V

G

G

K

K

G

G

A

A

T

T

L

I

G
x
A

A
|
A

G

G

S

T

T

T

I

V

T

T

R

R

D

N

V

V

G

G

E

E

D

N

E

A

L

L

V

A

I

I

T

S

R
|
R

V

V

K

P

Q

Q

K

T

H

Q

L

K

T

E

G

G

W

W

Q

R

R

R

P

P

active site: R15 (= R15)
binding desulfo-coenzyme a: G401 (= G401), S402 (= S402), A419 (≠ G419), A420 (= A420), R437 (= R437)
binding 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: K357 (= K357), H360 (= H360), N374 (= N374), A377 (= A377)
binding uridine-diphosphate-n-acetylglucosamine: L8 (= L8), A10 (= A10), G11 (= G11), Q73 (= Q73), Q76 (= Q76), G78 (= G78), T79 (= T79), Y100 (= Y100), D102 (= D102), Y136 (= Y136), G137 (= G137), E151 (= E151), N166 (= N166), T196 (= T196)

2oi5A E. Coli glmu- complex with udp-glcnac and acetyl-coa (see paper)
63% identity, 99% coverage: 2:449/454 of query aligns to 2:449/449 of 2oi5A

query
sites
2oi5A

A

A

L

M

N

S

V

V

V

V

I

I

L
|
L

A

A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

L

A

A

H

G

K

K

S

A

M

M

V

V

Q

Q

H

H

V

V

I

I

D

D

T

A

A

A

H

N

S

E

I

L

G

G

S

A

D

A

A

H

I

V

Q

H

L

L

V

V

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

L

K

K

S

Q

T

A

L

L

G

K

E

D

Q

D

K

N

L

L

N

N

W

W

I

V

L

L

Q
|
Q

A

A

E

E

Q
|
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

A

D

D

N

D

D

E

T

D

V

I

L

L

I

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

I

I

Q

S

A

V

S

E

T

T

L

L

E

Q

A

R

L

L

L

R

A

D

A

A

R

K

P

P

E

Q

Y

G

G

G

V

I

A

G

I

L

L

L

T

T

V

V

N

K

L

L

A

D

N

D

P

P

M

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

T

R

R

E

E

Q

N

G

G

K

K

V

V

V

T

G

G

I

I

V

V

E
|
E

Q

H

K

K

D

D

A

A

N

T

P

D

E

E

Q

Q

L

R

A

Q

I

I

N

Q

E

E

V

I

N
|
N

T

T

G

G

I

I

M

L

A

I

V

A

P

N

G

G

N

A

A

D

L

M

K

K

T

R

W

W

L

L

D

A

R

K

L

L

S

T

N

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

I

I

A

A

M

L

A

A

H

Y

A

Q

D

E

G

G

V

R

E

E

I

I

N

V

T

A

A

V

Q

H

P

P

Q

Q

S

R

A

L

I

S

E

E

V

V

E

E

G

G

A

V

N

N

N

N

R

R

V

L

Q

Q

L

L

A

S

Q

R

L

L

E

E

R

R

A

V

Y

Y

Q

Q

A

S

R

E

E

Q

A

A

E

E

K

K

L

L

M

L

I

L

A

A

G

G

A

V

N

M

L

L

R

R

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

T

V

H

G

G

M

R

D

D

V

V

M

E

I

I

D

D

V

T

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

T

I

L

G

G

N

H

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

I

I

K

D

N

T

S

E

V

I

I

A

G

D

D

N

D

A

C

E

E

I

I

K

S

P

P

Y

Y

S

T

I

V

I

V

E

E

G

D

A

A

K

N

L

L

G

A

V

A

A

A

A

C

S

T

A

I

G

G

P

P

F

F

A

A

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

L

Q

E

D

G

A

A

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

M

K

K

K

K

A

A

V

R

L

L

G

G

V

K

G

G

S

S

K

K

A

A

G

G

H

H

L

L

A

T

Y

Y

L

L

G

G

D

D

A

A

Q

E

I

I

G

G

A

D

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F
|
F

V

V

G
|
G

S
|
S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

T

I

V

G

G

K

K

G

G

A

A

T

T

L

I

G
x
A

A
|
A

G

G

S

T

T

T

I

V

T

T

R

R

D

N

V

V

G

G

E

E

D

N

E

A

L

L

V

A

I

I

T

S

R
|
R

V

V

K

P

Q

Q

K

T

H

Q

L

K

T

E

G

G

W

W

Q

R

R

R

P

P

active site: R15 (= R15)
binding acetyl coenzyme *a: G376 (= G376), F399 (= F399), G401 (= G401), S402 (= S402), A419 (≠ G419), A420 (= A420), R437 (= R437)
binding uridine-diphosphate-n-acetylglucosamine: L8 (= L8), A10 (= A10), G11 (= G11), Q73 (= Q73), Q76 (= Q76), G78 (= G78), T79 (= T79), Y100 (= Y100), D102 (= D102), Y136 (= Y136), G137 (= G137), E151 (= E151), N166 (= N166), Y194 (= Y194), T196 (= T196)

4kqlA Hin glmu bound to wg578 (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 4kqlA

query
sites
4kqlA

A

A

L

L

N

S

V

A

V

V

I

I

L

L

A
|
A

A
|
A

G

G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q
|
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T
|
T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E

E

G
|
G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide: A9 (= A9), A10 (= A10), Q73 (= Q73), Q76 (= Q76), G78 (= G78), T79 (= T79), Y100 (= Y100), D102 (= D102), Y136 (= Y136), T167 (= T167), V220 (= V220), G222 (= G222)

4kpzA Hin glmu bound to a small molecule fragment (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 4kpzA

query
sites
4kpzA

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V
|
V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q
|
Q

L

L

G
|
G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y

Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T

T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V

V

E

E

G

G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione: L8 (= L8), A9 (= A9), A10 (= A10), G11 (= G11), V23 (= V23), Q73 (= Q73), Q76 (= Q76), G78 (= G78), D102 (= D102)

4kpxA Hin glmu bound to wg766 (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 4kpxA

query
sites
4kpxA

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q

Q

A

T

E

E

Q

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T
|
T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E

E

G
|
G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide: L8 (= L8), A9 (= A9), A10 (= A10), G11 (= G11), Y100 (= Y100), D102 (= D102), Y136 (= Y136), T167 (= T167), V220 (= V220), G222 (= G222)

4knxA Hin glmu bound to wg176 (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 4knxA

query
sites
4knxA

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A

A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q
|
Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T
|
T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E

E

G
|
G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid: L8 (= L8), A10 (= A10), G11 (= G11), Q73 (= Q73), Q76 (= Q76), T79 (= T79), Y100 (= Y100), D102 (= D102), Y136 (= Y136), T167 (= T167), V220 (= V220), G222 (= G222)

4knrA Hin glmu bound to wg188 (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 4knrA

query
sites
4knrA

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q

Q

A

T

E

E

Q

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T

T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E

E

G

G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide: L8 (= L8), A9 (= A9), A10 (= A10), G11 (= G11), T79 (= T79), Y100 (= Y100), D102 (= D102), Y136 (= Y136), V220 (= V220)

4e1kA Glmu in complex with a quinazoline compound (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 4e1kA

query
sites
4e1kA

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q

Q

A

T

E

E

Q

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T

T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E
|
E

G

G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide: L8 (= L8), A9 (= A9), A10 (= A10), G11 (= G11), T79 (= T79), Y100 (= Y100), D102 (= D102), Y136 (= Y136), V220 (= V220), E221 (= E221)

2w0wA Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 2
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 2w0wA

query
sites
2w0wA

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A

A

A

A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N
|
N

T
|
T

G
|
G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E

E

G
|
G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P
|
P

V
x
I

active site: R15 (= R15)
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 (= L8), G11 (= G11), Q73 (= Q73), T79 (= T79), Y100 (= Y100), D102 (= D102), Y136 (= Y136), N166 (= N166), T167 (= T167), G168 (= G168), V220 (= V220), G222 (= G222), P449 (= P449), I450 (≠ V450)

2w0vA Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 1
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 2w0vA

query
sites
2w0vA

A

A

L

L

N

S

V

A

V

V

I

I

L
|
L

A

A

A

A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q

Q

A

T

E

E

Q

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V
|
V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T
|
T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V
|
V

E

E

G
|
G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V
x
I

active site: R15 (= R15)
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 (= L8), G11 (= G11), Y100 (= Y100), D102 (= D102), V128 (= V128), T167 (= T167), V220 (= V220), G222 (= G222), I450 (≠ V450)

2vd4A Structure of small-molecule inhibitor of glmu from haemophilus influenzae reveals an allosteric binding site (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 2vd4A

query
sites
2vd4A

A

A

L

L

N

S

V

A

V

V

I

I

L

L

A

A

A

A

G

G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

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A

N

I

I

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L

L

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I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

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L

L

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N

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N

N

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W

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L

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Q

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Q

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L

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G

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H

A

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V

A

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Q

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I

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D

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L

L

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V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

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V

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E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

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Q

L

L

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I

I

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V

N

N

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G

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M

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A

A

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L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

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S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

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D

D

G

N

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C

E

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I

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N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I
x
M

E

E

V
|
V

E
|
E

G

G

A

A

N

N

N

N

R

R

V

L

Q
|
Q

L

L

A

A

Q

A

L
|
L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

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S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

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Y

D

D

P

P

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A

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R

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F

D

D

I

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R

G

G

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L

T

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V

H

G

G

M

K

D

D

V

V

M

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I

I

D

D

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V

N

N

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V

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I

F

I

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N

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V

V

K

I

L

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G

N

D

N

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V

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I

I

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G

A

T

G

G

A

C

I

V

I

L

I

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D

N

T

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E

V

I

I

A

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N

N

D

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E

E

I

I

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K

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P

Y

Y

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S

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L

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D

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L

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G

G

V

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A

K

A

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A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

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R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

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N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide: Y136 (= Y136), M218 (≠ I218), V220 (= V220), E221 (= E221), Q228 (= Q228), L232 (= L232)

2v0lA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1-phosphate uridyltransferase (glmu) (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 2v0lA

query
sites
2v0lA

A

A

L

L

N

S

V

A

V

V

I

I

L

L

A

A

A
|
A

G

G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q
|
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T

T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V

V

E

E

G

G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V
x
I

active site: R15 (= R15)
binding uridine: A10 (= A10), Q73 (= Q73), Q76 (= Q76), G78 (= G78), T79 (= T79), Y100 (= Y100), D102 (= D102), I450 (≠ V450)

2v0kA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1- phosphate uridyltransferase (glmu) (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 2v0kA

query
sites
2v0kA

A

A

L

L

N

S

V

A

V

V

I

I

L

L

A

A

A
|
A

G
|
G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q
|
Q

L

L

G
|
G

T

T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N

N

T

T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V

V

E

E

G

G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

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A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

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V

T

L

V

G

G

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G

G

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S

K

K

A

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N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V

I

active site: R15 (= R15)
binding uridine-5'-diphosphate: A10 (= A10), G11 (= G11), Q73 (= Q73), Q76 (= Q76), G78 (= G78), Y100 (= Y100), D102 (= D102)

2v0iA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1-phosphate uridyltransferase (glmu) (see paper)
61% identity, 99% coverage: 2:450/454 of query aligns to 2:450/450 of 2v0iA

query
sites
2v0iA

A

A

L

L

N

S

V

A

V

V

I

I

L

L

A

A

A
|
A

G

G

K

K

G

G

T

T

R
|
R

M

M

R

Y

S

S

D

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

I

I

A

A

H

G

K

K

S

P

M

M

V

V

Q

K

H

H

V

V

I

I

D

D

T

T

A

A

H

H

S

Q

I

L

G

G

S

S

D

E

A

N

I

I

Q

H

L

L

V

I

Y

Y

G

G

Y

H

G

G

A

G

D

D

K

L

L

M

K

R

S

T

T

H

L

L

G

A

E

N

Q

E

K

Q

L

V

N

N

W

W

I

V

L

L

Q
|
Q

A

T

E

E

Q
|
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

A

Q

Q

Q

A

A

I

A

P

P

N

F

I

F

D

K

D

D

N

N

D

E

T

N

V

I

L

V

I

V

L

L

Y

Y

G

G

D
|
D

V

A

P

P

L

L

I

I

Q

T

A

K

S

E

T

T

L

L

E

E

A

K

L

L

L

I

A

E

A

A

R

K

P

P

E

E

Y

N

G

G

V

I

A

A

I

L

L

L

T

T

V

V

N

N

L

L

A

D

N

N

P

P

M

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

I

R

R

E

E

Q

N

G

G

K

N

V

V

V

V

G

A

I

I

V

V

E
|
E

Q

Q

K

K

D

D

A

A

N

N

P

A

E

E

Q

Q

L

L

A

N

I

I

N

K

E

E

V

V

N
|
N

T
|
T

G

G

I

V

M

M

A

V

V

S

P

D

G

G

N

A

A

S

L

F

K

K

T

K

W

W

L

L

D

A

R

R

L

V

S

G

N

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

I

I

A

A

M

L

A

A

H

N

A

Q

D

D

G

N

V

C

E

Q

I

V

N

V

T

A

A

V

Q

Q

P

A

Q

T

S

D

A

V

I

M

E

E

V

V

E

E

G

G

A

A

N

N

N

N

R

R

V

L

Q

Q

L

L

A

A

Q

A

L

L

E

E

R

R

A

Y

Y

F

Q

Q

A

N

R

K

E

Q

A

A

E

S

K

K

L

L

M

L

I

L

A

E

G

G

A

V

N

M

L

I

R

Y

D

D

P

P

S

A

R

R

I

F

D

D

I

L

R

R

G

G

E

T

V

L

T

E

V

H

G

G

M

K

D

D

V

V

M

E

I

I

D

D

V

V

N

N

V

V

I

I

F

I

E

E

G

G

K

N

V

V

V

K

I

L

G

G

N

D

N

R

V

V

T

K

I

I

G

G

A

T

G

G

A

C

I

V

I

L

I

K

D

N

T

V

E

V

I

I

A

G

D

N

N

D

A

V

E

E

I

I

K

K

P

P

Y

Y

S

S

I

V

I

L

E

E

G

D

A

S

K

I

L

V

G

G

V

E

A

K

A

A

S

A

A

I

G

G

P

P

F

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

E

E

L

L

M

A

Q

A

D

E

A

T

H

H

I

V

G

G

N

N

F

F

V

V

E

E

M

I

K

K

K

K

A

S

V

T

L

V

G

G

V

K

G

G

S

S

K

K

A

V

G

N

H

H

L

L

A

T

Y

Y

L

V

G

G

D

D

A

S

Q

E

I

I

G

G

A

S

G

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

A

A

N

N

K

K

H

F

L

K

T

T

V

I

I

I

E

G

D

D

N

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

T

K

I

V

G

A

K

N

G

G

A

A

T

T

L

I

G

G

A

A

G

G

S

T

T

T

I

I

T

T

R

R

D

D

V

V

G

G

E

E

D

N

E

E

L

L

V

V

I

I

T

T

R

R

V

V

K

A

Q

Q

K

R

H

H

L

I

T

Q

G

G

W

W

Q

Q

R

R

P

P

V
x
I

active site: R15 (= R15)
binding uridine-diphosphate-n-acetylglucosamine: A10 (= A10), Q73 (= Q73), Q76 (= Q76), G78 (= G78), T79 (= T79), D102 (= D102), Y136 (= Y136), G137 (= G137), E151 (= E151), N166 (= N166), T167 (= T167), Y194 (= Y194), T196 (= T196), I450 (≠ V450)

Query Sequence

>203814 FitnessBrowser__MR1:203814
MALNVVILAAGKGTRMRSDLPKVLHPIAHKSMVQHVIDTAHSIGSDAIQLVYGYGADKLK
STLGEQKLNWILQAEQLGTGHAVAQAIPNIDDNDTVLILYGDVPLIQASTLEALLAARPE
YGVAILTVNLANPMGYGRIVREQGKVVGIVEQKDANPEQLAINEVNTGIMAVPGNALKTW
LDRLSNNNAQGEYYLTDIIAMAHADGVEINTAQPQSAIEVEGANNRVQLAQLERAYQARE
AEKLMIAGANLRDPSRIDIRGEVTVGMDVMIDVNVIFEGKVVIGNNVTIGAGAIIIDTEI
ADNAEIKPYSIIEGAKLGVAASAGPFARLRPGAELMQDAHIGNFVEMKKAVLGVGSKAGH
LAYLGDAQIGAGVNIGAGTITCNYDGANKHLTVIEDNVFVGSDTQLVAPVTIGKGATLGA
GSTITRDVGEDELVITRVKQKHLTGWQRPVKIKK

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