SitesBLAST

5bjvA X-ray structure of the pglf udp-n-acetylglucosamine 4,6-dehydratase from campylobacterjejuni, d396n/k397a variant in complex with udp-n- acrtylglucosamine (see paper)
41% identity, 53% coverage: 228:545/603 of query aligns to 5:305/339 of 5bjvA

query
sites
5bjvA

F

L

L

L

A

A

R

R

D

K

E

P

I

K

D

D

H

L

S

D

P

D

D

S

G

A

T

V

E

A

T

F

Y

L

E

K

G

D

R

K

V

V

M

L

V

V

T

S

G
|
G

A

A

G

G

G
|
G

S
x
T

I
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I

G

G

S

S

E

E

L

L

C

C

R

K

Q

Q

V

C

L

I

S

K

C

F

R

G

P

A

A

K

K

H

L

L

I

I

L

M

M

V

D
|
D

V
x
H

S

S

E

E

F

Y

A

N

L

L

F

Y

T

K

I

I

A

N

G

D

E

D

L

L

G

N

G

L

I

Y

A

K

R

E

R

K

A

-

G

-

V

-

D

-

L

I

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P

V

I

L

L

G

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S
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S

V
x
I

C

L

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D

A

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Q

L

S

V

L

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D

R

E

A

V

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Y

G

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E

I

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I

M

L

H

H

A
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A

Y

Y

K
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K

H
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H

V

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H

P

L

L

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C

E

E

T

Q

N

N

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P

E

H

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A

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W

I

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N

N

N

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I

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L

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G

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T

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K

I

I

A

L

A

C

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A

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N

G

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E

A

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F

F

I

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x
I

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x
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D

N

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A

A

A

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N

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M

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K

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E

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Y

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L

L

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S

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A

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E

A

-

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-

P

-

G

-

G

N

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I

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A

A

M

C

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R

R

F
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F

G
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G

N
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N

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V

L

L

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G

S
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S

G

G

S
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S

V
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V

V

I

P

P

L

K

F

F

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K

D

A

Q

Q

I

I

R

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R

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x
L

T
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T

H

H

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R

Y

Y

F

F

M

M

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L

I

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A

E

E

A

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I

A

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G

G

E

E

V

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F

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D

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M

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G

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V

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D

L

L

A

A

R

K

Q

K

S

M

I

L

E

L

A

L

A

S

G

N

Y

-

T

-

V

-

R

-

D

-

R

-

A

-

N

-

P

-

E

R

G

N

D

D

I

L

E

E

I

I

V

K

F

I

T

T

G

G

L

L

R
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R

R

K

G

G

E
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E

K

K

L

L

F

Y

E

E

L

L

S

L

Y

I

D

D

G

E

N

N

L

D

I

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A

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T

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Y

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D

E

binding nicotinamide-adenine-dinucleotide: G31 (= G254), G34 (= G257), T35 (≠ S258), I36 (= I259), D56 (= D279), H57 (≠ V280), S82 (= S309), I83 (≠ V310), A104 (= A331), A105 (= A332), A106 (= A333), K108 (= K335), N123 (= N350), I146 (≠ V373), K162 (= K389), F184 (= F415), G185 (= G416), N186 (= N417), V187 (= V418), S190 (= S421), S191 (= S422)
binding uridine-diphosphate-n-acetylglucosamine: K108 (= K335), H109 (= H336), T148 (≠ S375), G185 (= G416), N186 (= N417), S193 (= S424), V194 (= V425), T209 (= T440), L210 (≠ V441), T211 (= T442), I215 (≠ V446), R217 (= R448), R276 (= R516), E279 (= E519)

6bwcC X-ray structure of pen from bacillus thuringiensis (see paper)
32% identity, 49% coverage: 245:537/603 of query aligns to 3:284/327 of 6bwcC

query
sites
6bwcC

Y

F

E

K

G

D

R

K

V

N

V

V

M

L

V

I

T

I

G
|
G

A

G

G
x
T

G
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G

S
x
T

I
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I

G

G

S

K

E

S

L

I

C

L

R

S

Q

N

V

V

L

L

S

Q

C

E

R

K

P

P

A

K

K

V

L

V

I

R

L

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M

F

D
x
S

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x
R

S
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S

E

E

F

Y

A

N

L

Q

F

F

T

L

I

L

A

Q

G

E

E

E

L

F

G

-

I

-

A

-

R

R

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D

A

K

G

N

V

R

D

N

L

I

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R

P

Y

V

L

L

I

G

G

S
x
D

V
x
I

C

R

D

N

A

Y

R

D

L

R

V

V

S

F

R

S

A

A

I

M

K

E

R

-

N

-

G

N

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I

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D

I

Y

V

V

M

F

H

H

A
x
V

A
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A

A

A

Y

M

K
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K

H
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H

V

V

H

S

L

F

V

C

E

E

T

Y

N

N

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P

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E

G

A

L

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W

L

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K

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F

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x
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S

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x
N

K

A

A

A

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P

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S

N

V

N

M
x
Y

G

G

A

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K

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E

L

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I

L

L

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F

G

G

N
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N

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V

L

M

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G

S
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S

S
x
R

G

G

S
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S

V
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V

V

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P

L
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L

F

F

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E

D

N

Q

Q

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V

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T

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x
M

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R

Y

F

F

M

M

M

T

T

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N

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A

A

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M

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L

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A

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G

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L

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K

M

M

G

-

R

-

P

P

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V

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x
L

A

N

Q

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L

L

A

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M

I

I

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E

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E

A

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T

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K

-

L

Y

Y

T

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V

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D

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R

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N

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P

-

E

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N

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I

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G

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L

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K

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P

G

G

E
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E

K

K

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M

F

Y

E

E

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L

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M

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T

Y

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E

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S

L

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A

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F

A

E

H

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P

binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G254), T14 (≠ G256), G15 (= G257), T16 (≠ S258), I17 (= I259), S37 (≠ D279), R38 (≠ V280), S39 (= S281), D63 (≠ S309), I64 (≠ V310), V83 (≠ A331), A84 (= A332), K87 (= K335), T125 (≠ V373), S127 (= S375), Y137 (≠ M385), K141 (= K389), F167 (= F415), V170 (= V418), S173 (= S421), R174 (≠ S422)
binding uridine-diphosphate-n-acetylglucosamine: K87 (= K335), H88 (= H336), S127 (= S375), N128 (≠ D376), Y137 (≠ M385), N169 (= N417), S176 (= S424), V177 (= V425), L180 (= L428), T192 (= T440), T194 (= T442), M198 (≠ V446), R200 (= R448), L234 (≠ I483), E265 (= E519)

4j2oC Crystal structure of NADP-bound wbjb from a. Baumannii community strain d1279779 (see paper)
32% identity, 47% coverage: 245:525/603 of query aligns to 2:264/316 of 4j2oC

query
sites
4j2oC

Y

F

E

K

G

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K

V

V

V

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L

V

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T

T

G
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G

A

G

G
x
T

G
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G

S
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S

I
x
F

G

G

S

N

E

A

L

V

C

L

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Q

R

V

F

L

L

S

E

C

T

R

-

P

-

A

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K

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L

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M

-

D

D

V

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K

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E

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F

T
x
S

I
x
R

A
x
D

G

E

E

K

L
x
K

G

Q

G

D

I

D

A

M

R

R

R

K

A

K

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Y

-

H

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D

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Y

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A

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R

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N

-

G

G

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A
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A

Y

L

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K

H

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C

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E

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F

N

H

V

P

E

M

A

E

G

A

L

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W

K

N
x
T

N

N

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V

Q

L

G

G

T

T

R

E

I

N

A

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A

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A

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A

N

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x
L

S

S

S

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D

D

K

K

A

A

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Y

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P

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I

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N

V

A

M

M

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G

A

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K

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A

L

M

A

M

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E

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G

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M

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x
Y

G

G

N

N

V

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L

M

G

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S

S

R

G

G

S

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V

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P

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L

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F

M

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T

T

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E

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L

L

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V

L

L

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Y

A

A

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M

H

A

G

L

E

G

N

G

G

E

D

V

I

F

F

V

V

L

-

D

Q

M

K

G

A

R

P

P

A

V

A

M

T

I

I

A

A

Q

V

L

L

A

A

R

E

Q

-

S

-

I

-

E

-

A

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G

-

Y

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A

V

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K

D

Q

R

L

A

L

N

N

P

V

E

E

G

-

D

D

I

H

E

P

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I

V

S

F

I

T

M

G

G

L

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H

G

G

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K

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E

A

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G254), T13 (≠ G256), G14 (= G257), S15 (= S258), F16 (≠ I259), S36 (≠ T287), R37 (≠ I288), D38 (≠ A289), K41 (≠ L292), D60 (≠ S309), V61 (= V310), A80 (= A331), A81 (= A332), A82 (= A333), K84 (= K335), T99 (≠ N350), L122 (≠ V373), K138 (= K389), Y164 (≠ F415)

4g5hA Crystal structure of capsular polysaccharide synthesizing enzyme cape from staphylococcus aureus in complex with by-product (see paper)
28% identity, 48% coverage: 238:525/603 of query aligns to 4:272/346 of 4g5hA

query
sites
4g5hA

P

P

D

R

G

G

T

S

E

A

E

M

T

G

Y

F

E

D

G

D

R

K

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I

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M

L

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I

T

T

G
|
G

A

G

G
x
T

G
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G

S
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S

I
x
F

G

G

S

N

E

A

L

V

C

M

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K

Q

R

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F

L

L

S

D

C

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R

-

P

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A

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K

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L

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I

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L

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M

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T
x
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x
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A
x
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E

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K

L
x
K

G

Q

G

D

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A

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R

R

K

A

K

-

Y

-

N

G

N

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A

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D

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A
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K

H
x
Q

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V

H

P

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S

V

C

E

E

T

F

N

F

V

P

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V

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A

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A

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K

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V

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M

M

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G

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x
Y

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G

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S

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L

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A

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S

T

T

V
|
V

R

G

D

D

R

L

A

A

N

T

P

A

-

L

-

E

-

L

-

F

E

E

G

A

D

D

I

N

E

A

I

I

V

E

F

I

T

I

G

G

L

T

R
|
R

R

H

G

G

E
|
E

K

K

L

K

F

A

E

E

E

T

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G254), T22 (≠ G256), G23 (= G257), S24 (= S258), F25 (≠ I259), S45 (≠ T287), R46 (≠ I288), D47 (≠ A289), K50 (≠ L292), D69 (≠ S309), V70 (= V310), A89 (= A331), A90 (= A332), A91 (= A333), K93 (= K335), L131 (≠ V373), T133 (≠ S375), K147 (= K389), Y173 (≠ F415)
binding [(2R,3R,4R,6R)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate: Q94 (≠ H336), V95 (= V337), K135 (= K377), N175 (= N417), S182 (= S424), V183 (= V425), L186 (= L428), T198 (= T440), T200 (= T442), M204 (≠ V446), V240 (= V498), R263 (= R516), E266 (= E519)

Sites not aligning to the query:

binding [(2R,3R,4R,6R)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate: 278, 313, 314, 315, 316, 320

3w1vA Crystal structure of capsular polysaccharide synthesizing enzyme cape from staphylococcus aureus in complex with inihibitor (see paper)
28% identity, 48% coverage: 238:525/603 of query aligns to 4:272/347 of 3w1vA

query
sites
3w1vA

P

P

D

R

G

G

T

S

E

A

E

M

T

G

Y

F

E

D

G

D

R

K

V

I

V

L

M

L

V

I

T

T

G

G

A

G

G

T

G

G

S

S

I

F

G

G

S

N

E

A

L

V

C

M

R

K

Q

R

V

F

L

L

S

D

C

S

R

-

P

-

A

-

K

-

L

-

I

-

L

-

M

-

D

N

V

I

S

K

E

E

F

I

A

R

L

I

F

F

T

S

I

R

A

D

G

E

E

K

L

K

G

Q

G

D

I

D

A

I

R

R

R

K

A

K

-

Y

-

N

G

N

V

S

D

K

L

L

V

K

P

F

V

Y

L

I

G

G

S

D

V

V

C

R

D

D

A

S

R

Q

L

S

V

V

S

E

R

T

A

A

I

M

K

R

R

-

N

-

G

D

V

V

Q

D

I

Y

V

V

M

F

H

H

A

A

Y

L

K
|
K

H
x
Q

V

V

H

P

L

S

V

C

E

E

T

F

N

F

V

P

E

V

A

E

G

A

L

V

W

K

N

T

N

N

V

I

Q

I

G

G

T

T

R

E

I

N

A

V

A

L

R

Q

A

S

A

A

R

I

D

H

A

Q

G

N

V

V

E

K

R

K

F

V

I

I

L

C

V

L

S

S

S

T

D

D

K

K

A

A

V

A

R

Y

P

P

R

I

S

N

V

A

M

M

G

G

A

I

S

S

K

K

R

A

L

M

A

M

E

E

L

K

I

V

L

F

L

V

D

A

L

K

A

S

A

R

R

N

A

I

Q

R

P

S

G

E

G

Q

T

T

I

L

F

I

A

C

M

G

V

T

R

R

F

Y

G

G

N
|
N

V

V

L

M

G

A

S
|
S

S
x
R

G

G

S
|
S

V
|
V

V

I

P

P

L
|
L

F

F

Q

I

D

D

Q

K

I

I

R

K

R

A

G

G

G

E

P

P

V

L

T
|
T

V
x
I

T
|
T

H

D

S

P

Q

D

V
x
M

C

T

R
|
R

Y

F

F

L

M

M

T

S

I

L

P

E

E

D

A

A

G

V

R

E

L

L

V

V

L

V

T

H

A

A

G

F

A

K

M

H

A

A

L

E

G

T

G

G

E

D

V

I

F

M

V

V

L

Q

D

-

M

-

G

-

R

-

P

-

V

-

M

-

I

-

A

-

Q

-

L

-

A

-

R

-

Q

-

S

-

I

-

E

K

A

A

A

P

G

S

Y

S

T

T

V
|
V

R

G

D

D

R

L

A

A

N

T

P

A

-

L

-

E

-

L

-

F

E

E

G

A

D

D

I

N

E

A

I

I

V

E

F

I

T

I

G

G

L

T

R
|
R

R

H

G

G

E
|
E

K

K

L

K

F

A

E

E

E

T

L

L

binding [(2R,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium: K93 (= K335), Q94 (≠ H336), N175 (= N417), S179 (= S421), R180 (≠ S422), S182 (= S424), V183 (= V425), L186 (= L428), T198 (= T440), I199 (≠ V441), T200 (= T442), M204 (≠ V446), R206 (= R448), V240 (= V498), R263 (= R516), E266 (= E519)

O25511 UDP-N-acetylglucosamine 4,6-dehydratase (inverting); Pseudaminic acid biosynthesis protein B; UDP-GlcNAc-inverting 4,6-dehydratase; EC 4.2.1.115 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
29% identity, 46% coverage: 246:523/603 of query aligns to 9:265/333 of O25511

query
sites
O25511

E

D

G

N

R

Q

V

T

V

I

M

L

V

I

T

T

G

G

A

G

G
x
T

G
|
G

S
|
S

I
x
F

G

G

S

K

E

C

L

F

C

V

R

R

Q

K

V

V

L

L

S

D

C

T

R

T

P

N

A

A

K

K

-

K

L

I

I

I

L

V

M

Y

D
x
S

V
x
R

S
x
D

E
|
E

F
x
L

A
x
K

L

Q

F

S

T

E

I

M

A

A

G

M

E

E

L

F

G

N

G

D

I

P

A

R

R

M

R

R

A

F

G

-

V

-

D

-

L

-

V

-

P

-

V

F

L

I

G

G

S
x
D

V
|
V

C

R

D

D

A

L

R

E

L

R

V

L

S

N

R

Y

A

A

I

L

K

E

R

-

N

-

G

G

V

V

Q

D

I

I

V

C

M

I

H

H

A
|
A

A

A

Y

L

K
|
K

H

H

V

V

H

P

L

I

V

A

E

E

T

Y

N

N

V

P

E

L

A

E

G

C

L

I

W

K

N

T

N

N

V

I

Q

M

G

G

T

A

R

S

I

N

A

V

A

I

R

N

A

A

A

C

R

L

D

K

A

N

G

A

V

I

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S

R

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F

V

I

I

L

A

V
x
L

S
|
S

S

T

D

D

K
|
K

A

A

V

A

R

N

P

P

R

I

S

N

V

L

M
x
Y

G

G

A

A

S

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K
|
K

R

L

L

C

A

S

E

D

L

K

I

L

L

F

L

V

D

S

L

A

A

N

R

F

A

K

Q

G

P

S

G

S

G

Q

T

T

I

Q

F

F

A

S

M

V

V

V

R

R

F

Y

G

G

N

N

V
|
V

L
x
V

G
|
G

S
|
S

S
x
R

G

G

S

S

V

V

P

P

L

F

F

F

Q

K

D

K

Q

L

I

V

R

Q

-

N

R

K

G

A

G

S

P

E

V

I

T

P

V

I

T

T

H

D

S

I

Q

R

V

M

C

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R

R

Y

F

F

W

M

I

T

T

I

L

P

D

E

E

A

G

G

V

R

S

L

F

V

V

L

L

T

K

A

S

G

L

A

K

M

R

A

M

L

H

G

G

E

E

V

I

F

F

V

V

L

P

D

K

M

I

G

-

R

-

P

P

V

S

M

M

-

K

I

M

A

T

Q

D

L

L

A

A

R

K

Q

A

S

-

I

-

E

-

A

-

G

-

Y

-

T

-

V

-

R

-

D

-

R

-

A

L

N

A

P

P

E

N

G

T

D

P

I

T

E

K

I

I

V

I

F

-

T

-

G

G

L

I

R

R

R

P

G

G

E

E

K

K

L

L

F

H

E

E

TGSF 19:22 (≠ GGSI 256:259) binding NADP(+)
SRDELK 43:48 (≠ DVSEFA 279:284) binding NADP(+)
DV 67:68 (≠ SV 309:310) binding NADP(+)
A87 (= A331) binding NADP(+)
K91 (= K335) binding NADP(+)
LS 129:130 (≠ VS 373:374) binding NADP(+)
K133 (= K377) mutation K->A,E: Loss of activity.
Y141 (≠ M385) binding NADP(+)
K145 (= K389) binding NADP(+)
VVGSR 174:178 (≠ VLGSS 418:422) binding NADP(+)

2gn8A Crystal structure of udp-glcnac inverting 4,6-dehydratase in complex with NADP and udp (see paper)
29% identity, 46% coverage: 246:523/603 of query aligns to 3:259/327 of 2gn8A

query
sites
2gn8A

E

D

G

N

R

Q

V

T

V

I

M

L

V

I

T

T

G
|
G

A

G

G
x
T

G
|
G

S
|
S

I
x
F

G

G

S

K

E

C

L

F

C

V

R

R

Q

K

V

V

L

L

S

D

C

T

R

T

P

N

A

A

K

K

-

K

L

I

I

I

L

V

M

Y

D
x
S

V
x
R

S
x
D

E

E

F

L

A
x
K

L

Q

F

S

T

E

I

M

A

A

G

M

E

E

L

F

G

N

G

D

I

P

A

R

R

M

R

R

A

F

G

-

V

-

D

-

L

-

V

-

P

-

V

F

L

I

G

G

S
x
D

V
|
V

C

R

D

D

A

L

R

E

L

R

V

L

S

N

R

Y

A

A

I

L

K

E

R

-

N

-

G

G

V

V

Q

D

I

I

V

C

M

I

H

H

A
|
A

Y

L

K
|
K

H

H

V

V

H

P

L

I

V

A

E

E

T

Y

N

N

V

P

E

L

A

E

G

C

L

I

W

K

N
x
T

N

N

V

I

Q

M

G

G

T

A

R

S

I

N

A

V

A

I

R

N

A

A

A

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R

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D

K

A

N

G

A

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V

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I

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A

V
x
L

S
|
S

S

T

D

D

K
|
K

A

A

V

A

R

N

P

P

R

I

S

N

V

L

M

Y

G

G

A

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|
K

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L

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C

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D

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L

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A

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R

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P

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G

S

G

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T

T

I

Q

F

F

A

S

M

V

V

V

R

R

F
x
Y

G
|
G

N
|
N

V
|
V

L

V

G

G

S
|
S

S
x
R

G

G

S

S

V
|
V

V

V

P

P

L

F

F

F

Q

K

D

K

Q

L

I

V

R

Q

-

N

R

K

G

A

G

S

P

E

V

I

T
x
P

V
x
I

T
|
T

H

D

S

I

Q

R

V
x
M

C

T

R
|
R

Y

F

F

W

M

I

T

T

I

L

P

D

E

E

A

G

G

V

R

S

L

F

V

V

L

L

T

K

A

S

G

L

A

K

M

R

A

M

L

H

G

G

E

E

V

I

F

F

V

V

L

P

D

K

M

I

G

-

R

-

P

P

V

S

M

M

-

K

I
x
M

A

T

Q

D

L

L

A

A

R

K

Q

A

S

-

I

-

E

-

A

-

G

-

Y

-

T

-

V

-

R

-

D

-

R

-

A

L

N

A

P

P

E

N

G

T

D

P

I

T

E

K

I

I

V

I

F

-

T

-

G

G

L

I

R
|
R

R

P

G

G

E

E

K

K

L

L

F

H

E

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G254), T13 (≠ G256), G14 (= G257), S15 (= S258), F16 (≠ I259), S37 (≠ D279), R38 (≠ V280), D39 (≠ S281), K42 (≠ A284), D61 (≠ S309), V62 (= V310), A81 (= A331), A82 (= A332), A83 (= A333), K85 (= K335), T100 (≠ N350), L123 (≠ V373), S124 (= S374), K139 (= K389), Y165 (≠ F415), G166 (= G416), V168 (= V418), S171 (= S421), R172 (≠ S422)
binding uridine-5'-diphosphate: K127 (= K377), N167 (= N417), V175 (= V425), P191 (≠ T440), I192 (≠ V441), T193 (= T442), M197 (≠ V446), R199 (= R448), M233 (≠ I483), R252 (= R516)

2gnaA Crystal structure of udp-glcnac inverting 4,6-dehydratase in complex with NADP and udp-gal (see paper)
29% identity, 46% coverage: 246:523/603 of query aligns to 5:261/329 of 2gnaA

query
sites
2gnaA

E

D

G

N

R

Q

V

T

V

I

M

L

V

I

T

T

G
|
G

A

G

G
x
T

G
|
G

S
|
S

I
x
F

G

G

S

K

E

C

L

F

C

V

R

R

Q

K

V

V

L

L

S

D

C

T

R

T

P

N

A

A

K

K

-

K

L

I

I

I

L

V

M

Y

D
x
S

V
x
R

S
x
D

E

E

F

L

A
x
K

L

Q

F

S

T

E

I

M

A

A

G

M

E

E

L

F

G

N

G

D

I

P

A

R

R

M

R

R

A

F

G

-

V

-

D

-

L

-

V

-

P

-

V

F

L

I

G

G

S
x
D

V
|
V

C

R

D

D

A

L

R

E

L

R

V

L

S

N

R

Y

A

A

I

L

K

E

R

-

N

-

G

G

V

V

Q

D

I

I

V

C

M

I

H

H

A
|
A

Y

L

K
|
K

H

H

V

V

H

P

L

I

V

A

E

E

T

Y

N

N

V

P

E

L

A

E

G

C

L

I

W

K

N

T

N

N

V

I

Q

M

G

G

T

A

R

S

I

N

A

V

A

I

R

N

A

A

A

C

R

L

D

K

A

N

G

A

V

I

E

S

R

Q

F

V

I

I

L

A

V
x
L

S
|
S

S

T

D

D

K

K

A

A

V

A

R

N

P

P

R

I

S

N

V

L

M
x
Y

G

G

A

A

S

T

K
|
K

R

L

L

C

A

S

E

D

L

K

I

L

L

F

L

V

D

S

L

A

A

N

R

F

A

K

Q

G

P

S

G

S

G

Q

T

T

I

Q

F

F

A

S

M

V

V

V

R

R

F
x
Y

G
|
G

N

N

V
|
V

L

V

G

G

S

S

S

R

G

G

S
|
S

V
|
V

V

V

P

P

L

F

F

F

Q

K

D

K

Q

L

I

V

R

Q

-

N

R

K

G

A

G

S

P

E

V

I

T

P

V

I

T
|
T

H

D

S

I

Q

R

V
x
M

C

T

R
|
R

Y

F

F

W

M

I

T

T

I

L

P

D

E

E

A

G

G

V

R

S

L

F

V

V

L

L

T

K

A

S

G

L

A

K

M

R

A

M

L

H

G

G

E

E

V

I

F

F

V

V

L

P

D

K

M

I

G

-

R

-

P

P

V

S

M

M

-

K

I
x
M

A

T

Q

D

L

L

A

A

R

K

Q

A

S

-

I

-

E

-

A

-

G

-

Y

-

T

-

V

-

R

-

D

-

R

-

A

L

N

A

P

P

E

N

G

T

D

P

I

T

E

K

I

I

V

I

F

-

T

-

G

G

L

I

R
|
R

R

P

G

G

E
|
E

K

K

L

L

F

H

E

E

binding galactose-uridine-5'-diphosphate: K87 (= K335), S176 (= S424), V177 (= V425), T195 (= T442), M199 (≠ V446), R201 (= R448), M235 (≠ I483), R254 (= R516), E257 (= E519)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G254), T15 (≠ G256), G16 (= G257), S17 (= S258), F18 (≠ I259), S39 (≠ D279), R40 (≠ V280), D41 (≠ S281), K44 (≠ A284), D63 (≠ S309), V64 (= V310), A83 (= A331), A84 (= A332), A85 (= A333), K87 (= K335), L125 (≠ V373), S126 (= S374), Y137 (≠ M385), K141 (= K389), Y167 (≠ F415), G168 (= G416), V170 (= V418)

2gn9A Crystal structure of udp-glcnac inverting 4,6-dehydratase in complex with NADP and udp-glc (see paper)
29% identity, 46% coverage: 246:523/603 of query aligns to 5:261/329 of 2gn9A

query
sites
2gn9A

E

D

G

N

R

Q

V

T

V

I

M

L

V

I

T

T

G
|
G

A

G

G
x
T

G
|
G

S
|
S

I
x
F

G

G

S

K

E

C

L

F

C

V

R

R

Q

K

V

V

L

L

S

D

C

T

R

T

P

N

A

A

K

K

-

K

L

I

I

I

L

V

M

Y

D

S

V
x
R

S
x
D

E

E

F

L

A
x
K

L

Q

F

S

T

E

I

M

A

A

G

M

E

E

L

F

G

N

G

D

I

P

A

R

R

M

R

R

A

F

G

-

V

-

D

-

L

-

V

-

P

-

V

F

L

I

G

G

S
x
D

V
|
V

C

R

D

D

A

L

R

E

L

R

V

L

S

N

R

Y

A

A

I

L

K

E

R

-

N

-

G

G

V

V

Q

D

I

I

V

C

M

I

H

H

A
|
A

Y

L

K
|
K

H

H

V

V

H

P

L

I

V

A

E

E

T

Y

N

N

V

P

E

L

A

E

G

C

L

I

W

K

N

T

N

N

V

I

Q

M

G

G

T

A

R

S

I

N

A

V

A

I

R

N

A

A

A

C

R

L

D

K

A

N

G

A

V

I

E

S

R

Q

F

V

I

I

L

A

V
x
L

S
|
S

S
x
T

D

D

K
|
K

A

A

V

A

R

N

P

P

R

I

S

N

V

L

M
x
Y

G

G

A

A

S

T

K
|
K

R

L

L

C

A

S

E

D

L

K

I

L

L

F

L

V

D

S

L

A

A

N

R

F

A

K

Q

G

P

S

G

S

G

Q

T

T

I

Q

F

F

A

S

M

V

V

V

R

R

F
x
Y

G
|
G

N
|
N

V
|
V

L

V

G

G

S

S

S
x
R

G

G

S
|
S

V
|
V

V

V

P

P

L

F

F

F

Q

K

D

K

Q

L

I

V

R

Q

-

N

R

K

G

A

G

S

P

E

V

I

T
x
P

V

I

T
|
T

H

D

S

I

Q

R

V
x
M

C

T

R
|
R

Y

F

F

W

M

I

T

T

I

L

P

D

E

E

A

G

G

V

R

S

L

F

V

V

L

L

T

K

A

S

G

L

A

K

M

R

A

M

L

H

G

G

E

E

V

I

F

F

V

V

L

P

D

K

M

I

G

-

R

-

P

P

V

S

M

M

-

K

I
x
M

A

T

Q

D

L

L

A

A

R

K

Q

A

S

-

I

-

E

-

A

-

G

-

Y

-

T

-

V

-

R

-

D

-

R

-

A

L

N

A

P

P

E

N

G

T

D

P

I

T

E

K

I

I

V

I

F

-

T

-

G

G

L

I

R
|
R

R

P

G

G

E
|
E

K

K

L

L

F

H

E

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G254), T15 (≠ G256), G16 (= G257), S17 (= S258), F18 (≠ I259), R40 (≠ V280), D41 (≠ S281), K44 (≠ A284), D63 (≠ S309), V64 (= V310), A83 (= A331), A84 (= A332), A85 (= A333), K87 (= K335), L125 (≠ V373), S126 (= S374), K141 (= K389), Y167 (≠ F415), G168 (= G416), V170 (= V418), R174 (≠ S422)
binding uridine-5'-diphosphate-glucose: K87 (= K335), T127 (≠ S375), K129 (= K377), Y137 (≠ M385), N169 (= N417), S176 (= S424), V177 (= V425), P193 (≠ T440), T195 (= T442), M199 (≠ V446), R201 (= R448), M235 (≠ I483), R254 (= R516), E257 (= E519)

2gn6A Crystal structure of udp-glcnac inverting 4,6-dehydratase in complex with NADP and udp-glcnac (see paper)
29% identity, 46% coverage: 246:523/603 of query aligns to 5:261/329 of 2gn6A

query
sites
2gn6A

E

D

G

N

R

Q

V

T

V

I

M

L

V

I

T

T

G
|
G

A

G

G
x
T

G
|
G

S
|
S

I
x
F

G

G

S

K

E

C

L

F

C

V

R

R

Q

K

V

V

L

L

S

D

C

T

R

T

P

N

A

A

K

K

-

K

L

I

I

I

L

V

M

Y

D

S

V
x
R

S
x
D

E

E

F

L

A
x
K

L

Q

F

S

T

E

I

M

A

A

G

M

E

E

L

F

G

N

G

D

I

P

A

R

R

M

R

R

A

F

G

-

V

-

D

-

L

-

V

-

P

-

V

F

L

I

G

G

S
x
D

V
|
V

C

R

D

D

A

L

R

E

L

R

V

L

S

N

R

Y

A

A

I

L

K

E

R

-

N

-

G

G

V

V

Q

D

I

I

V

C

M

I

H

H

A

A

A
|
A

Y

L

K
|
K

H

H

V

V

H

P

L

I

V

A

E

E

T

Y

N

N

V

P

E

L

A

E

G

C

L

I

W

K

N

T

N

N

V

I

Q

M

G

G

T

A

R

S

I

N

A

V

A

I

R

N

A

A

A

C

R

L

D

K

A

N

G

A

V

I

E

S

R

Q

F

V

I

I

L

A

V

L

S
|
S

S

T

D
|
D

K
|
K

A

A

V

A

R

N

P

P

R

I

S

N

V

L

M
x
Y

G

G

A

A

S

T

K
|
K

R

L

L

C

A

S

E

D

L

K

I

L

L

F

L

V

D

S

L

A

A

N

R

F

A

K

Q

G

P

S

G

S

G

Q

T

T

I

Q

F

F

A

S

M

V

V

V

R

R

F
x
Y

G
|
G

N
|
N

V
|
V

L

V

G

G

S
|
S

S
x
R

G
|
G

S
|
S

V
|
V

V

V

P

P

L

F

F

F

Q

K

D

K

Q

L

I

V

R

Q

-

N

R

K

G

A

G

S

P

E

V

I

T
x
P

V
x
I

T

T

H

D

S

I

Q

R

V
x
M

C

T

R
|
R

Y

F

F

W

M

I

T

T

I

L

P

D

E

E

A

G

G

V

R

S

L

F

V

V

L

L

T

K

A

S

G

L

A

K

M

R

A

M

L

H

G

G

E

E

V

I

F

F

V

V

L

P

D

K

M

I

G

-

R

-

P

P

V

S

M

M

-

K

I
x
M

A

T

Q

D

L

L

A

A

R

K

Q

A

S

-

I

-

E

-

A

-

G

-

Y

-

T

-

V

-

R

-

D

-

R

-

A

L

N

A

P

P

E

N

G

T

D

P

I

T

E

K

I

I

V

I

F

-

T

-

G

G

L

I

R
|
R

R

P

G

G

E
|
E

K

K

L

L

F

H

E

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G254), T15 (≠ G256), G16 (= G257), S17 (= S258), F18 (≠ I259), R40 (≠ V280), D41 (≠ S281), K44 (≠ A284), D63 (≠ S309), V64 (= V310), A84 (= A332), A85 (= A333), K87 (= K335), S126 (= S374), Y137 (≠ M385), K141 (= K389), Y167 (≠ F415), G168 (= G416), V170 (= V418), S173 (= S421), R174 (≠ S422)
binding uridine-diphosphate-n-acetylglucosamine: K87 (= K335), D128 (= D376), K129 (= K377), N169 (= N417), G175 (= G423), S176 (= S424), V177 (= V425), P193 (≠ T440), I194 (≠ V441), M199 (≠ V446), R201 (= R448), M235 (≠ I483), R254 (= R516), E257 (= E519)

2gn4A Crystal structure of udp-glcnac inverting 4,6-dehydratase in complex with NADPH and udp-glcnac (see paper)
29% identity, 46% coverage: 246:523/603 of query aligns to 5:261/329 of 2gn4A

query
sites
2gn4A

E

D

G

N

R

Q

V

T

V

I

M

L

V

I

T

T

G
|
G

A

G

G
x
T

G
|
G

S
|
S

I
x
F

G

G

S

K

E

C

L

F

C

V

R

R

Q

K

V

V

L

L

S

D

C

T

R

T

P

N

A

A

K

K

-

K

L

I

I

I

L

V

M

Y

D
x
S

V
x
R

S
x
D

E

E

F

L

A
x
K

L

Q

F

S

T

E

I

M

A

A

G

M

E

E

L

F

G

N

G

D

I

P

A

R

R

M

R

R

A

F

G

-

V

-

D

-

L

-

V

-

P

-

V

F

L

I

G

G

S
x
D

V
|
V

C

R

D

D

A

L

R

E

L

R

V

L

S

N

R

Y

A

A

I

L

K

E

R

-

N

-

G

G

V

V

Q

D

I

I

V

C

M

I

H

H

A
|
A

Y

L

K
|
K

H

H

V

V

H

P

L

I

V

A

E

E

T

Y

N

N

V

P

E

L

A

E

G

C

L

I

W

K

N
x
T

N

N

V

I

Q

M

G

G

T

A

R

S

I

N

A

V

A

I

R

N

A

A

A

C

R

L

D

K

A

N

G

A

V

I

E

S

R

Q

F

V

I

I

L

A

V
x
L

S
|
S

S
x
T

D
|
D

K
|
K

A

A

V

A

R

N

P

P

R

I

S

N

V

L

M
x
Y

G

G

A

A

S

T

K
|
K

R

L

L

C

A

S

E

D

L

K

I

L

L

F

L

V

D

S

L

A

A

N

R

F

A

K

Q

G

P

S

G

S

G

Q

T

T

I

Q

F

F

A

S

M

V

V

V

R

R

F
x
Y

G
|
G

N
|
N

V
|
V

L

V

G

G

S
|
S

S
x
R

G

G

S
|
S

V
|
V

V

V

P

P

L

F

F

F

Q

K

D

K

Q

L

I

V

R

Q

-

N

R

K

G

A

G

S

P

E

V

I

T
x
P

V

I

T
|
T

H

D

S

I

Q

R

V
x
M

C

T

R
|
R

Y

F

F

W

M

I

T

T

I

L

P

D

E

E

A

G

G

V

R

S

L

F

V

V

L

L

T

K

A

S

G

L

A

K

M

R

A

M

L

H

G

G

E

E

V

I

F

F

V

V

L

P

D

K

M

I

G

-

R

-

P

P

V

S

M

M

-

K

I
x
M

A

T

Q

D

L

L

A

A

R

K

Q

A

S

-

I

-

E

-

A

-

G

-

Y

-

T

-

V

-

R

-

D

-

R

-

A

L

N

A

P

P

E

N

G

T

D

P

I

T

E

K

I

I

V

I

F

-

T

-

G

G

L

I

R
|
R

R

P

G

G

E
|
E

K

K

L

L

F

H

E

E

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G13 (= G254), T15 (≠ G256), G16 (= G257), S17 (= S258), F18 (≠ I259), S39 (≠ D279), R40 (≠ V280), D41 (≠ S281), K44 (≠ A284), D63 (≠ S309), V64 (= V310), A83 (= A331), A84 (= A332), A85 (= A333), K87 (= K335), T102 (≠ N350), L125 (≠ V373), S126 (= S374), T127 (≠ S375), Y137 (≠ M385), K141 (= K389), Y167 (≠ F415), G168 (= G416), V170 (= V418), S173 (= S421), R174 (≠ S422)
binding uridine-diphosphate-n-acetylglucosamine: K87 (= K335), T127 (≠ S375), D128 (= D376), K129 (= K377), Y137 (≠ M385), N169 (= N417), S176 (= S424), V177 (= V425), P193 (≠ T440), T195 (= T442), M199 (≠ V446), R201 (= R448), M235 (≠ I483), R254 (= R516), E257 (= E519)

3vvcA Crystal structure of capsular polysaccharide synthesizing enzyme cape , k126e, in apo form (see paper)
28% identity, 47% coverage: 245:525/603 of query aligns to 3:264/318 of 3vvcA

query
sites
3vvcA

Y

F

E

D

G

D

R

K

V

I

V

L

M

L

V

I

T

T

G
|
G

A

G

G
x
T

G
|
G

S

S

I
x
F

G

G

S

N

E

A

L

V

C

M

R

K

Q

R

V

F

L

L

S

D

C

S

R

-

P

-

A

-

K

-

L

-

I

-

L

-

M

-

D

N

V

I

S

K

E

E

F

I

A

R

L

I

F

F

T
x
S

I
x
R

A
x
D

G

E

E

K

L
x
K

G

Q

G

D

I

D

A

I

R

R

R

K

A

K

-

Y

-

N

G

N

V

S

D

K

L

L

V

K

P

F

V

Y

L

I

G

G

S
x
D

V
|
V

C
x
R

D

D

A

S

R

Q

L

S

V

V

S

E

R

T

A

A

I

M

K

R

R

-

N

-

G

D

V

V

Q

D

I

Y

V

V

M

F

H

H

A
|
A

Y

L

K
|
K

H

Q

V

V

H

P

L

S

V

C

E

E

T

F

N

F

V

P

E

V

A

E

G

A

L

V

W

K

N

T

N

N

V

I

Q

I

G

G

T

T

R

E

I

N

A

V

A

L

R

Q

A

S

A

A

R

I

D

H

A

Q

G

N

V

V

E

K

R

K

F

V

I

I

L

C

V

L

S
|
S

S
x
T

D

D

K

E

A

A

V

A

R

Y

P

P

R

I

S

N

V

A

M

M

G

G

A

I

S

S

K
|
K

R

A

L

M

A

M

E

E

L

K

I

V

L

F

L

V

D

A

L

K

A

S

A

R

R

N

A

I

Q

R

P

S

G

E

G

Q

T

T

I

L

F

I

A

C

M

G

V

T

R

R

F
x
Y

G
|
G

N

N

V

V

L

M

G

A

S

S

S

R

G

G

S

S

V

V

V

I

P

P

L

L

F

F

Q

I

D

D

Q

K

I

I

R

K

R

A

G

G

G

E

P

P

V

L

T

T

V

I

T

T

H

D

S

P

Q

D

V

M

C

T

R

R

Y

F

F

L

M

M

T

S

I

L

P

E

E

D

A

A

G

V

R

E

L

L

V

V

L

V

T

H

A

A

G

F

A

K

M

H

A

A

L

E

G

T

G

G

E

D

V

I

F

M

V

V

L

Q

D

-

M

-

G

-

R

-

P

-

V

-

M

-

I

-

A

-

Q

-

L

-

A

-

R

-

Q

-

S

-

I

-

E

K

A

A

A

P

G

S

Y

S

T

T

V

V

R

G

D

D

R

L

A

A

N

T

P

A

-

L

-

E

-

L

-

F

E

E

G

A

D

D

I

N

E

A

I

I

V

E

F

I

T

I

G

G

L

T

R

R

R

H

G

G

E

E

K

K

L

K

F

A

E

E

E

T

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G254), T14 (≠ G256), G15 (= G257), F17 (≠ I259), S37 (≠ T287), R38 (≠ I288), D39 (≠ A289), K42 (≠ L292), D61 (≠ S309), V62 (= V310), R63 (≠ C311), A81 (= A331), A82 (= A332), A83 (= A333), K85 (= K335), S124 (= S374), T125 (≠ S375), K139 (= K389), Y165 (≠ F415), G166 (= G416)

3pvzA Udp-n-acetylglucosamine 4,6-dehydratase from vibrio fischeri
28% identity, 41% coverage: 251:496/603 of query aligns to 34:278/372 of 3pvzA

query
sites
3pvzA

M

L

V

V

T

L

G

G

A

G

G

A

G
|
G

S
|
S

I
|
I

G

G

S

Q

E

A

L

V

C

T

R

K

Q

E

V

I

L

F

S

K

C

R

R

N

P

P

A

Q

K

K

L

L

I

H

L

V

M

V

D
|
D

V
x
I

S

S

E

E

F

N

A

N

L

M

F

V

T

E

I

L

A

V

-

R

-

D

-

I

-

R

-

S

-

F

G

G

E

Y

L

I

G

N

G

G

I

D

A

F

R

Q

R

T

A

F

G

A

V

L

D
|
D

L
x
I

V

-

P

-

V

-

L

-

G

G

S

S

V

I

-

E

C

Y

D

D

A

A

R

-

L

-

V

-

S

-

R

-

A

F

I

I

K

K

R

A

N

D

G

G

-

Q

V

Y

Q

D

I

Y

V

V

M

L

H

N

A
x
L

A
x
S

A
|
A

Y

L

K
|
K

H

H

V

V

H

R

L

S

V

E

E

K

T

D

-

P

-

F

N

T

V

L

E

M

A

R

G

M

L

I

W

D

N

V

N

N

V

V

Q

F

G

N

T

T

R

D

I

K

A

T

A

I

R

Q

A

Q

A

S

R

I

D

D

A

A

G

G

V

A

E

K

R

K

F

Y

I

F

L

C

V
|
V

S

S

S

T

D
|
D

K

K

A

A

V

A

R

N

P

P

R

V

S

N

V

M

M

M

G

G

A

A

S

S

K
|
K

R

R

L

I

A

M

E

E

L

M

I

F

L

L

L

M

D

-

L

-

A

-

R

R

A

K

Q

S

P

E

G

E

G

I

T

A

I

I

F

-

A

S

M

T

V

A

R

R

F

F

G

A

N

N

V
|
V

L

A

G

F

S
|
S

S

D

G

G

S

S

V

L

P

H

L

G

F

F

Q

N

D

Q

Q

R

I

I

R

Q

R

K

G

N

G

Q

P

P

V

I

T

-

V

V

T

A

H

P

S

N

Q

D

V

I

C

K

R

R

Y

Y

F

F

M

V

T

T

I

P

P

Q

E

E

A

S

G

G

R

E

L

L

V

C

L

L

T

M

A

S

G

C

A

I

M

F

A

G

L

E

G

N

G

R

E

D

V

I

F

F

V

F

L

P

D

K

M

L

G

S

R

E

P

A

-

L

-

H

-

L

V

I

M

S

I

F

A

A

Q

D

L

I

A

A

R

V

Q

K

S

Y

I

L

E

K

A

Q

A

L

G

G

Y

Y

binding nicotinamide-adenine-dinucleotide: G40 (= G257), S41 (= S258), I42 (= I259), D62 (= D279), I63 (≠ V280), D92 (= D302), I93 (≠ L303), L114 (≠ A331), S115 (≠ A332), A116 (= A333), K118 (= K335), V158 (= V373), D161 (= D376), K174 (= K389), V198 (= V418), S201 (= S421)

4tqgA Crystal structure of megavirus udp-glcnac 4,6-dehydratase, 5-epimerase mg534 (see paper)
24% identity, 48% coverage: 248:538/603 of query aligns to 6:257/297 of 4tqgA

query
sites
4tqgA

R

K

V

T

V

I

M

M

V

I

T

F

G
|
G

A

G

G
x
S

G
|
G

S
|
S

I
x
L

G

G

S

N

E

R

L

L

C

I

R

E

Q

T

V

Y

L

I

S

N

C

N

R

N

P

-

A

-

K

-

L

-

I

I

L

I

M

V

D

N

V

Y

S

S

E
x
R

F
x
D

A

E

L

S

F

K

T

H

I

W

A

S

G

M

E

E

L

L

G

-

I

-

A

-

R

K

R

Y

A

K

G

S

V

D

D

K

L

L

V

K

P

N

V

I

L

I

G

G

S
x
D

V
x
I

C

R

D

D

A

F

R

E

L

K

V

V

S

Q

R

Q

A

S

I

I

K

M

R

R

N

I

G

N

V

P

Q

D

I

I

V

I

M

I

H

I

A
|
A

Y

L

K
|
K

H

H

V

I

H

D

L

R

V

C

E

E

T

Y

N

E

V

I

E

N

A

E

G

C

L

L

W

D

N

T

N

N

V

I

Q

K

G

G

T

L

R

Q

I

N

A

V

A

L

R

K

A

V

-

T

-

E

-

I

-

N

-

R

A

S

R

N

D

L

A

S

G

N

V

L

E

K

R

A

F

V

I

C

L

F

V
|
V

S

S

S

T

D

D

K

K

A

A

V

C

R

S

P

P

R

V

S

N

V

S

M
x
Y

G

G

A

M

S

S

K
|
K

R

A

L

I

A

C

E

E

L

T

I

L

L

V

D

E

L

K

A

S

A

K

R

Y

A

I

Q

K

P

D

G

I

G

K

T

-

I

-

F

Y

A

V

M

C

V

V

R

R

F
x
Y

G
|
G

N

N

V
|
V

L

L

G

N

S

-

G

-

S

-

V

-

P

-

L

-

F

-

Q

-

D

-

Q

-

I

-

R

-

G

-

P

-

V

F

T

T

V

L

T

T

H

H

S

T

Q

S

V

M

C

T

R

R

Y

F

F

I

M

M

T

T

I

L

P

D

E

D

A

S

G

V

R

K

L

L

V

I

L

E

T

Y

A

A

G

I

A

I

M

N

A

G

L

N

G

S

G

G

E

E

V

I

F

V

V

I

L

-

D

-

M

-

G

-

R

-

P

P

V

K

M

L

I

N

A

S

Q

M

L

Y

A

I

R

K

Q

D

S

M

I

I

E

E

-

L

-

F

A

A

A

D

G

K

Y

Y

T

P

V

-

R

-

D

-

R

-

A

-

N

-

P

-

E

-

G

-

D

-

I

-

E

-

I

I

V

V

F

I

T

T

G

G

L

L

R

R

R

S

G

G

E

E

K

R

L

M

F

Y

E

E

E

S

L

L

S

I

Y

N

D

D

G

T

N

Q

L

S

I

M

A

K

T

T

A

V

H

-

P

P

K

K

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G254), S14 (≠ G256), G15 (= G257), S16 (= S258), L17 (≠ I259), R36 (≠ E282), D37 (≠ F283), D59 (≠ S309), I60 (≠ V310), A81 (= A331), A82 (= A332), A83 (= A333), K85 (= K335), V128 (= V373), Y140 (≠ M385), K144 (= K389), Y168 (≠ F415), G169 (= G416), V171 (= V418)

3pvzB Udp-n-acetylglucosamine 4,6-dehydratase from vibrio fischeri
28% identity, 38% coverage: 251:479/603 of query aligns to 32:243/300 of 3pvzB

query
sites
3pvzB

M

L

V

V

T

L

G

G

A

G

G

A

G
|
G

S
|
S

I
|
I

G

G

S

Q

E

A

L

V

C

T

R

K

Q

E

V

I

L

F

S

K

C

R

R

N

P

P

A

Q

K

K

L

L

I

H

L

V

M

V

D
|
D

V
x
I

S

S

E

E

F

N

A

N

L

M

F

V

T

E

I

L

A

V

-

R

-

D

-

I

-

R

-

S

-

F

G

G

E

Y

L

I

G

N

G

G

I

D

A

F

R

Q

R

T

A

F

G

A

V
x
L

D
|
D

L
x
I

V

-

P

-

V

-

L

-

G

G

S

S

V

I

-

E

C

Y

D

D

A

A

R

-

L

-

V

-

S

-

R

-

A

F

I

I

K

K

R

A

N

D

G

G

-

Q

V

Y

Q

D

I

Y

V

V

M

L

H

N

A
x
L

A
x
S

A
|
A

Y

L

K
|
K

H

H

V

V

H

R

L

S

V

E

E

K

T

D

-

P

-

F

N

T

V

L

E

M

A

R

G

M

L

I

W

D

N

V

N

N

V

V

Q

F

G

N

T

T

R

D

I

K

A

T

A

I

R

Q

A

Q

A

S

R

I

D

D

A

A

G

G

V

A

E

K

R

K

F

Y

I

F

L

C

V

V

S

S

S

T

D
|
D

K

K

A

A

V

A

R

N

P

P

R

V

S

N

V

M

M

M

G

G

A

A

S

S

K
|
K

R

R

L

I

A

M

E

E

L

M

I

F

L

L

L

M

D

-

L

-

A

-

R

-

A

R

Q

K

P

S

G

E

T

I

I

A

F

I

A

S

M

T

V

A

R

R

F

F

G

A

N
|
N

V
|
V

L

A

G

F

S
|
S

S

D

G

G

S

S

V

-

P

-

L

-

F

-

Q

-

D

-

Q

R

I

I

R

Q

R

K

G

N

G

Q

P

P

V

I

T

-

V

-

T

-

H

-

S

-

Q

-

V

-

C

-

R

R

Y

Y

F

F

M

V

T

T

I

P

P

Q

E

E

A

S

G

G

R

E

L

L

V

C

L

L

T

M

A

S

G

C

A

I

M

F

A

G

L

E

G

N

G

R

E

D

V

I

F

F

V

F

-

P

L

K

D

D

M

M

G

A

R

R

binding nicotinamide-adenine-dinucleotide: G38 (= G257), S39 (= S258), I40 (= I259), D60 (= D279), I61 (≠ V280), L89 (≠ V301), D90 (= D302), I91 (≠ L303), L112 (≠ A331), S113 (≠ A332), A114 (= A333), K116 (= K335), D159 (= D376), K172 (= K389), N195 (= N417), V196 (= V418), S199 (= S421)

3vvbA Crystal structure of capsular polysaccharide synthesizing enzyme cape from staphylococcus aureus in apo form (see paper)
23% identity, 38% coverage: 245:474/603 of query aligns to 1:198/270 of 3vvbA

query
sites
3vvbA

Y

F

E

D

G

D

R

K

V

I

V

L

M

L

V

I

T

T

G
|
G

A

G

G
x
T

G
|
G

S
|
S

I
x
F

G

G

S

N

E

A

L

V

C

M

R

K

Q

R

V

F

L

L

S

D

C

S

R

-

P

-

A

-

K

-

L

-

I

-

L

-

M

-

D

N

V

I

S

K

E

E

F

I

A

R

L

I

F

F

T
x
S

I
x
R

A
x
D

G

E

E

K

L
x
K

G

Q

G

D

I

D

A

I

R

R

R

K

A

K

-

Y

-

N

G

N

V

S

D

K

L

L

V

K

P

F

V

Y

L

I

G

G

S
x
D

V
|
V

C

R

D

D

A

S

R

Q

L

S

V

V

S

E

R

T

A

A

I

M

K

R

R

-

N

-

G

D

V

V

Q

D

I

Y

V

V

M

F

H

H

A

A

A
|
A

Y

L

K
|
K

H

Q

V

V

H

P

L

S

V

C

E

E

T

F

N

F

V

P

E

V

A

E

G

A

L

V

W

K

N

T

N

N

V

I

Q

I

G

G

T

T

R

E

I

N

A

V

A

L

R

Q

A

S

A

A

R

I

D

H

A

Q

G

N

V

V

E

K

R

K

F

V

I

I

L

C

V
x
L

S

S

S
x
T

D

D

K

K

A

A

V

A

R

Y

P

P

R

I

S

N

V

A

M

M

G

G

A

I

S

S

K
|
K

R

A

L

M

A

M

E

E

L

K

I

V

L

F

L

V

D

A

L

K

A

S

A

R

R

N

A

I

Q

R

P

S

G

E

G

Q

T

T

I

L

F

I

A

C

M

G

V

T

R

R

F
x
Y

G
|
G

N

N

V

V

L

M

G

-

S

-

G

-

S

-

V

-

P

-

L

-

F

-

Q

-

D

-

Q

-

I

-

R

-

G

-

P

-

V

-

T

-

V

-

T

-

H

-

S

P

Q

D

V

M

C

T

R

R

Y

F

F

L

M

M

T

S

I

L

P

E

E

D

A

A

G

V

R

E

L

L

V

V

L

V

T

H

A

A

G

F

A

K

M

H

A

A

L

E

G

T

G

G

E

D

V

I

F

M

V

V

binding nadp nicotinamide-adenine-dinucleotide phosphate: G10 (= G254), T12 (≠ G256), G13 (= G257), S14 (= S258), F15 (≠ I259), S35 (≠ T287), R36 (≠ I288), D37 (≠ A289), K40 (≠ L292), D59 (≠ S309), V60 (= V310), A80 (= A332), A81 (= A333), K83 (= K335), L121 (≠ V373), T123 (≠ S375), K137 (= K389), Y163 (≠ F415), G164 (= G416)

2udpA Udp-galactose 4-epimerase complexed with udp-phenol (see paper)
31% identity, 29% coverage: 250:424/603 of query aligns to 3:186/338 of 2udpA

query
sites
2udpA

V

V

M

L

V

V

T

T

G
|
G

A

G

G

S

G
|
G

S
x
Y

I
|
I

G

G

S

S

E

H

L

T

C

C

R

V

Q

Q

V

L

L

L

S

Q

C

N

R

G

P

H

A

D

K

V

L

I

I

I

L

L

M
x
D

D
x
N

V
x
L

S
x
C

E
x
N

F

-

A

-

L

-

F

-

T
x
S

I

K

A

R

G

S

E

V

L

L

G

P

G

V

I

I

A

E

R

R

R

L

A

G

G

G

V

K

D

H

L

P

V

T

P

F

V

V

L

E

G

G

S
x
D

V
x
I

C

R

D

N

A

E

R

A

L

L

V

M

S

T

R

E

A

I

I

L

K

H

R

D

N

H

G

A

V

I

Q

D

I

T

V

V

M

I

H

H

A
x
F

A
|
A

A
x
G

Y

L

K
|
K

H

A

V

V

-

G

H

E

L

S

V

V

E

Q

T

K

N

P

V

L

E

E

A

Y

G

-

L

Y

W

D

N

N

V

V

Q

N

G

G

T

T

R

L

I

R

A

L

A

I

R

S

A

A

A

M

R

R

D

A

A

A

G

N

V

V

E

K

R

N

F

F

I

I

L

F

V
x
S

S

S

S
|
S

D
x
A

K
x
T

A

V

V

Y

-

G

-

D

-

Q

-

P

-

K

-

I

-

P

-

Y

-

V

-

E

-

S

-

F

-

P

-

T

-

G

R

T

P

P

R

Q

S

S

V

P

M
x
Y

G

G

A

K

S

S

K
|
K

R

L

L

M

A

V

E

E

L

Q

I

I

L

L

L

T

D

D

L

L

A

-

A

Q

R

K

A

A

Q

Q

P

P

G

D

G

W

T

S

I

I

F

-

A

A

M

L

V

L

R

R

F
x
Y

G

F

N
|
N

V

P

L

V

G

G

S

A

S

H

G

P

S

S

active site: S124 (= S375), A125 (≠ D376), T126 (≠ K377), Y149 (≠ M385), K153 (= K389)
binding nicotinamide-adenine-dinucleotide: G7 (= G254), G10 (= G257), Y11 (≠ S258), I12 (= I259), D31 (≠ M278), N32 (≠ D279), L33 (≠ V280), C34 (≠ S281), N35 (≠ E282), S36 (≠ T287), D58 (≠ S309), I59 (≠ V310), F80 (≠ A331), A81 (= A332), G82 (≠ A333), K84 (= K335), S122 (≠ V373), S124 (= S375), Y149 (≠ M385), K153 (= K389), Y177 (≠ F415)
binding phenyl-uridine-5'-diphosphate: N179 (= N417)

Sites not aligning to the query:

active site: 189
binding phenyl-uridine-5'-diphosphate: 199, 200, 216, 217, 218, 231, 233, 269, 292, 295

1udcA Structure of udp-galactose-4-epimerase complexed with udp-mannose (see paper)
31% identity, 29% coverage: 250:424/603 of query aligns to 3:186/338 of 1udcA

query
sites
1udcA

V

V

M

L

V

V

T

T

G
|
G

A

G

G

S

G
|
G

S
x
Y

I
|
I

G

G

S

S

E

H

L

T

C

C

R

V

Q

Q

V

L

L

L

S

Q

C

N

R

G

P

H

A

D

K

V

L

I

I

I

L

L

M
x
D

D
x
N

V

L

S
x
C

E
x
N

F

-

A

-

L

-

F

-

T
x
S

I

K

A

R

G

S

E

V

L

L

G

P

G

V

I

I

A

E

R

R

R

L

A

G

G

G

V

K

D

H

L

P

V

T

P

F

V

V

L

E

G

G

S
x
D

V
x
I

C

R

D

N

A

E

R

A

L

L

V

M

S

T

R

E

A

I

I

L

K

H

R

D

N

H

G

A

V

I

Q

D

I

T

V

V

M

I

H

H

A
x
F

A
|
A

A
x
G

Y

L

K
|
K

H

A

V

V

-

G

H

E

L

S

V

V

E

Q

T

K

N

P

V

L

E

E

A

Y

G

-

L

Y

W

D

N

N

V

V

Q

N

G

G

T

T

R

L

I

R

A

L

A

I

R

S

A

A

A

M

R

R

D

A

A

A

G

N

V

V

E

K

R

N

F

F

I

I

L

F

V
x
S

S

S

S
|
S

D
x
A

K
x
T

A

V

V

Y

-

G

-

D

-

Q

-

P

-

K

-

I

-

P

-

Y

-

V

-

E

-

S

-

F

-

P

-

T

-

G

R

T

P

P

R

Q

S

S

V

P

M
x
Y

G

G

A

K

S

S

K
|
K

R

L

L

M

A

V

E

E

L

Q

I

I

L

L

L

T

D

D

L

L

A

-

A

Q

R

K

A

A

Q

Q

P

P

G

D

G

W

T

S

I

I

F

-

A

A

M

L

V

L

R

R

F
x
Y

G

F

N
|
N

V
x
P

L

V

G

G

S

A

S

H

G

P

S

S

active site: S124 (= S375), A125 (≠ D376), T126 (≠ K377), Y149 (≠ M385), K153 (= K389)
binding nicotinamide-adenine-dinucleotide: G7 (= G254), G10 (= G257), Y11 (≠ S258), I12 (= I259), D31 (≠ M278), N32 (≠ D279), C34 (≠ S281), N35 (≠ E282), S36 (≠ T287), D58 (≠ S309), I59 (≠ V310), F80 (≠ A331), A81 (= A332), G82 (≠ A333), K84 (= K335), S122 (≠ V373), Y149 (≠ M385), K153 (= K389), Y177 (≠ F415), P180 (≠ V418)
binding uridine-5'-diphosphate-mannose: T126 (≠ K377), Y149 (≠ M385), N179 (= N417)

Sites not aligning to the query:

active site: 189
binding uridine-5'-diphosphate-mannose: 199, 200, 215, 216, 217, 218, 231, 233, 269, 292

P09147 UDP-glucose 4-epimerase; Galactowaldenase; UDP-galactose 4-epimerase; EC 5.1.3.2 from Escherichia coli (strain K12) (see 10 papers)
31% identity, 29% coverage: 250:424/603 of query aligns to 3:186/338 of P09147

query
sites
P09147

V

V

M

L

V

V

T

T

G

G

A

G

G

S

G

G

S
x
Y

I
|
I

G

G

S

S

E

H

L

T

C

C

R

V

Q

Q

V

L

L

L

S

Q

C

N

R

G

P

H

A

D

K

V

L

I

I

I

L

L

M
x
D

D
x
N

V
x
L

S
x
C

E
x
N

F

-

A

-

L

-

F

-

T
x
S

I

K

A

R

G

S

E

V

L

L

G

P

G

V

I

I

A

E

R

R

R

L

A

G

G

G

V

K

D

H

L

P

V

T

P

F

V

V

L

E

G

G

S
x
D

V
x
I

C

R

D

N

A

E

R

A

L

L

V

M

S

T

R

E

A

I

I

L

K

H

R

D

N

H

G

A

V

I

Q

D

I

T

V

V

M

I

H

H

A
x
F

A
|
A

A
x
G

Y
x
L

K
|
K

H

A

V

V

-

G

H

E

L

S

V

V

E

Q

T

K

N

P

V

L

E

E

A

Y

G

-

L

Y

W

D

N
|
N

N

N

V

V

Q

N

G

G

T

T

R

L

I

R

A

L

A

I

R

S

A

A

A

M

R

R

D

A

A

A

G

N

V

V

E

K

R

N

F

F

I

I

L

F

V

S

S

S

S
|
S

D

A

K

T

A

V

V

Y

-

G

-

D

-

Q

-

P

-

K

-

I

-

P

-

Y

-

V

-

E

-

S

-

F

-

P

-

T

-

G

R

T

P

P

R

Q

S

S

V

P

M
x
Y

G

G

A

K

S

S

K
|
K

R

L

L

M

A

V

E

E

L

Q

I

I

L

L

L

T

D

D

L

L

A

-

A

Q

R

K

A

A

Q

Q

P

P

G

D

G

W

T

S

I

I

F

-

A

A

M

L

V

L

R

R

F

Y

G
x
F

N

N

V

P

L

V

G

G

S

A

S

H

G

P

S

S

YI 11:12 (≠ SI 258:259) binding NAD(+)
DNLCN----S 31:36 (≠ MDVSEFALFT 278:287) binding NAD(+)
DI 58:59 (≠ SV 309:310) binding NAD(+)
FAGLK 80:84 (≠ AAAYK 331:335) binding NAD(+)
N99 (= N350) binding NAD(+)
S124 (= S375) binding NAD(+); mutation to A: No major structural changes. Catalytic efficiency is very low and affinity binding is 21% of the wild-type enzyme.; mutation to T: No major structural changes. Catalytic efficiency is about 30% of that of the wild-type enzyme, and affinity binding is similar to that of the native enzyme.
Y149 (≠ M385) active site, Proton acceptor; binding NAD(+); mutation to F: No major structural changes. Catalytic efficiency is very low and affinity binding is 12% of the wild-type enzyme.
K153 (= K389) binding NAD(+); mutation to A: Decreases the catalytic activity. Not reduced by sugars in the presence or absence of UMP. It contains very little NADH.; mutation to M: Decreases the catalytic activity. Not reduced by sugars in the presence or absence of UMP. It contains very little NADH.
F178 (≠ G416) binding NAD(+)

Sites not aligning to the query:

299 Y→C: Loss of epimerase activity with UDP-Gal by almost 5-fold, but it results in a gain of epimerase activity with uridine diphosphate N-acetylglucosamine (UDP-GlcNAc) by 230-fold with minimal changes in its three-dimensional structure.

Query Sequence

>WP_089268321.1 NCBI__GCF_000877395.1:WP_089268321.1
MLPILPLYKSLGISLFPWLAALAVSAGFLSLVLRLPWLSLFEHHAASQVRRAAMVGGVAL
ASGLVAPLAGLVVTPLFHIAVGAAMFTLISLVRAGLLRTVKTLNAHSGDRARVLIYGAGT
TGRQLAQALQTDPEIEVVAMIDDNTTLQKVTVAGLSVYPPARIADLVNRYSIDRVCLAMP
SVSPPKQAQMARRLVALGLEVQSVPSFSQLVGEGRLEDRLRPLDPMAFLARDEIDHSPDG
TEETYEGRVVMVTGAGGSIGSELCRQVLSCRPAKLILMDVSEFALFTIAGELGGIARRAG
VDLVPVLGSVCDARLVSRAIKRNGVQIVMHAAAYKHVHLVETNVEAGLWNNVQGTRIAAR
AARDAGVERFILVSSDKAVRPRSVMGASKRLAELILLDLAARAQPGGTIFAMVRFGNVLG
SSGSVVPLFQDQIRRGGPVTVTHSQVCRYFMTIPEAGRLVLTAGAMALGGEVFVLDMGRP
VMIAQLARQSIEAAGYTVRDRANPEGDIEIVFTGLRRGEKLFEELSYDGNLIATAHPKIS
CAREDGMPELQLAALQRDLFAALDEGDIGQLRSILAAGLEGFPQEAAEATRPPLTAIEVE
GRA

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