SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 6938114 Sama_2235 NAD dependent epimerase/dehydratase family protein (RefSeq) 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)

5u4qA 1.5 angstrom resolution crystal structure of NAD-dependent epimerase from klebsiella pneumoniae in complex with NAD.
62% identity, 100% coverage: 1:334/334 of query aligns to 2:320/321 of 5u4qA

query
sites
5u4qA

M

M

K

K

I

F

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

F

A

H

A

I

C

A

K

Q

R

R

L

L

S

N

Q

E

G

G

H

H

Q

N

V

V

H

V

G

G

I

I

D
|
D

N
|
N

L

M

N
|
N

D

D

Y

Y

Y
|
Y

D

D

V

V

S

S

L

L

K
|
K

Q

Q

A

A

R

R

L

L

A

D

A

R

L

L

A

A

S

-

H

Y

P

P

H

A

F

F

Q

H

F

F

Q

Q

R

Q

M

L

E
x
D

L
|
L

A

A

D

D

R

R

G

E

A

G

I

M

A

A

T

K

L

L

F

F

S

A

T

T

I

E

K

Q

P

F

D

D

W

R

V

V

L

I

H

H

L
|
L

G
x
A

A
|
A

Q

Q

A

A

G

-

V

-

R

-

Y

-

S

-

I

-

D

-

N

N

P

P

H

Y

A

A

Y

Y

A

A

D

D

A

A

N

N

L

L

V

M

G

G

H

Y

L

L

N

N

I

I

L

L

E

E

G

G

C

C

R

R

Q

H

T

T

G

K

V

V

K

K

H

H

L

L

V

V

Y

Y

A
|
A

S

S

V

V

Y

Y

G

G

L

L

N

N

K

R

K

K

L

M

P

P

F

F

A

S

T

T

S

E

D

D

S

S

V

V

D

D

H

H

P

P

V

V

S

S

L

L

Y
|
Y

A

A

T

T

K
|
K

K

K

A

A

N

N

E

E

L

L

M

M

S

A

H

H

S

T

Y

Y

A

S

H

H

L

L

Y

Y

G

G

V

I

P

P

C

T

T

T

G

G

L

L

R

R

F
|
F

T
|
T

V
|
V

Y

Y

G

G

P

P

W

W

G

G

R
|
R

P

P

D

D

M

M

A

A

P

L

M

F

L

K

F

F

A

T

R

K

A

A

I

M

M

L

A

E

G

G

E

K

P

S

I

I

K

D

V

V

F

Y

N

N

Q

Y

G

G

D

K

M

M

S

K

R

R

D

D

F

F

T

T

F

Y

I

I

D

D

I

I

I

V

E

E

G

A

V

V

I

V

G

R

V

V

L

L

P

D

L

V

P

I

P

P

S

Q

T

A

S

N

S

A

Q

D

W

W

S

T

V

V

E

E

S

S

G

G

S

S

S

P

S

A

E

T

S

S

A

A

P

P

Y

Y

R

R

V

V

L

Y

N

N

I

I

G

G

H

N

G

S

S

S

P

P

V

V

S

E

L

L

M

M

H

D

F

Y

I

I

E

T

T

A

L

L

E

E

N

E

A

A

L

L

G

G

R

M

K

E

A

A

I

Q

K

K

Q

N

F

M

L

M

P

P

M

I

Q

-

D

-

G

-

D

-

V

-

K

-

A

-

T

T

W

S

A

A

D

D

T

T

E

Q

D

P

L

L

F

Y

A

D

I

L

T

V

G

G

V

F

R

K

P

P

K

Q

V

T

G

S

I

V

E

K

Q

D

G

G

V

V

K

K

A

N

F

F

A

V

D

D

W

W

Y

Y

L

K

N

D

Y

Y

H

Q

binding nicotinamide-adenine-dinucleotide: G8 (= G7), G11 (= G10), F12 (= F11), I13 (= I12), D32 (= D31), N33 (= N32), N35 (= N34), Y38 (= Y37), K43 (= K42), D61 (≠ E61), L62 (= L62), L83 (= L83), A84 (≠ G84), A85 (= A85), A118 (= A125), Y145 (= Y152), K149 (= K156), F172 (= F179), F173 (= F180), T174 (= T181), V175 (= V182), R181 (= R188)

5u4qB 1.5 angstrom resolution crystal structure of NAD-dependent epimerase from klebsiella pneumoniae in complex with NAD.
60% identity, 100% coverage: 1:334/334 of query aligns to 2:304/304 of 5u4qB

query
sites
5u4qB

M

M

K

K

I

F

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

F

A

H

A

I

C

A

K

Q

R

R

L

L

S

N

Q

E

G

G

H

H

Q

N

V

V

H

V

G

G

I

I

D
|
D

N
|
N

L

M

N
|
N

D

D

Y

Y

Y
|
Y

D

D

V

V

S

S

L

L

K
|
K

Q

Q

A

A

R

R

L

L

A

D

A

R

L

L

A

A

S

-

H

Y

P

P

H

A

F

F

Q

H

F

F

Q

Q

R

Q

M

L

E
x
D

L
|
L

A

A

D

D

R

R

G

E

A

G

I

M

A

A

T

K

L

L

F

F

S

A

T

T

I

E

K

Q

P

F

D

D

W

R

V

V

L

I

H

H

L
|
L

G
x
A

A
|
A

Q

Q

A

A

G

G

V

V

R

R

Y

-

S

-

I

L

D

E

N

N

P

P

H

Y

A

A

Y

Y

A

A

D

D

A

A

N

N

L

L

V

M

G

G

H

Y

L

L

N

N

I

I

L

L

E

E

G

G

C

C

R

R

Q

H

T

T

G

K

V

V

K

K

H

H

L

L

V

V

Y

Y

A
|
A

S

S

V

V

Y

Y

G

G

L

L

N

N

K

R

K

K

L

M

P

P

F

F

A

S

T

T

S

E

D

D

S

S

V

V

D

D

H

H

P

P

V

V

S

S

L

L

Y
|
Y

A

A

T

T

K
|
K

K

K

A

A

N

N

E

E

L

L

M

M

S

A

H

H

S

T

Y

Y

A

S

H

H

L

L

Y

Y

G

G

V

I

P

P

C

T

T

T

G

G

L

L

R

R

F
|
F

F

F

T

T

V
|
V

Y

Y

G

G

P

P

W

W

G

G

R
|
R

P

P

D

D

M
|
M

A

A

P

L

M

F

L

K

F

F

A

T

R

K

A

A

I

M

M

L

A

E

G

G

E

-

P

-

I

-

K

-

V

-

F

-

N

-

Q

-

G

-

D

-

M

-

S

-

R

R

D

D

F

F

T

T

F

Y

I

I

D

D

I

I

I

V

E

E

G

A

V

V

I

V

G

R

V

V

L

L

P

D

L

V

P

I

P

P

S

Q

T

A

S

N

S

A

Q

D

W

W

S

T

V

V

E

E

S

S

G

G

S

S

S

P

S

A

E

T

S

S

A

A

P

P

Y

Y

R

R

V

V

L

Y

N

N

I

I

G

G

H

N

G

S

S

S

P

P

V

V

S

E

L

L

M

M

H

D

F

Y

I

I

E

T

T

A

L

L

E

E

N

E

A

A

L

L

G

G

R

-

K

-

A

-

I

-

K

-

Q

-

F

-

L

-

P

-

M

-

Q

-

D

-

G

-

D

-

V

-

K

-

A

M

T

T

W

S

A

A

D

D

T

T

E

Q

D

P

L

L

F

Y

A

D

I

L

T

V

G

G

V

F

R

K

P

P

K

Q

V

T

G

S

I

V

E

K

Q

D

G

G

V

V

K

K

A

N

F

F

A

V

D

D

W

W

Y

Y

L

K

N

D

Y

Y

H

Q

binding nicotinamide-adenine-dinucleotide: G8 (= G7), G11 (= G10), F12 (= F11), I13 (= I12), D32 (= D31), N33 (= N32), N35 (= N34), Y38 (= Y37), K43 (= K42), D61 (≠ E61), L62 (= L62), L83 (= L83), A84 (≠ G84), A85 (= A85), A123 (= A125), Y150 (= Y152), K154 (= K156), F177 (= F179), V180 (= V182), R186 (= R188), M189 (= M191)

6zldA Crystal structure of udp-glucuronic acid 4-epimerase from bacillus cereus in complex with udp-glucuronic acid and NAD (see paper)
33% identity, 100% coverage: 1:333/334 of query aligns to 1:314/314 of 6zldA

query
sites
6zldA

M

M

K

K

I

I

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

H

A

L

C

C

K

Q

R

A

L

L

-

K

S

N

Q

S

G

A

H

Y

Q

H

V

V

H

V

G

G

I

I

D
|
D

N
x
H

L
x
F

N
x
I

D

G

Y

P

Y

T

D

P

V

A

S

T

L

L

K
|
K

Q

T

A

G

R

N

L

I

A

Q

A

S

L

L

A

E

S

L

H

N

P

S

H

R

F

F

Q

Q

F

F

Q

I

R

R

M

E

E
x
D

L
x
I

A

L

D

N

R

T

G

D

A

-

I

L

A

S

T

K

L

L

F

L

S

Q

T

D

I

I

K

-

P

-

D

D

W

V

V

V

L

Y

H

H

L
|
L

G
x
A

A
|
A

Q

I

A
x
P

G

G

V

V

R
|
R

Y

T

S

S

I

W

-

G

D

K

N

D

P

F

H

Q

A

P

Y

Y

A

V

D

T

A

N

N

N

L

I

V

M

G

V

H

T

L

Q

N

Q

I

L

L

L

E

E

G

A

C

C

R

K

Q

H

T

I

G

K

V

L

K

D

H

K

L

F

V

I

Y

H

A
x
I

S

S

S
x
T

S
|
S

V

V

Y

Y

G

G

L

-

N

-

K

E

K

K

L

S

P

G

F

A

A

V

T

S

S

E

D

D

S

L

V

L

D

P

H

I

P

P

V

L

S

S

L

P

Y
|
Y

A

G

A

V

T

T

K
|
K

K

L

A

S

N

G

E

E

L

H

M

L

S

C

H

H

S

V

Y

Y

A

H

H

K

L

N

Y

F

G

H

V

I

P

P

C

I

T

V

G

I

L

L

R

R

F
x
Y

F
|
F

T
|
T

V

V

Y

Y

G

G

P

P

W

R

G

Q

R
|
R

P

P

D

D

M
|
M

A
|
A

P

F

M

H

L
x
R

F

L

A

I

R

K

A

Q

I

M

M

L

A

E

G

D

E

K

P

P

I

L

K
x
T

V

I

F
|
F

N

G

Q

D

G

G

D

T

M
x
Q

S

T

R
|
R

D

D

F

F

T

T

F

Y

I

I

D

D

I

C

I

I

E

R

G

G

V

T

I

V

G

A

V

A

L

L

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

-

S

-

S

E

S

T

E

K

S

K

S

N

A

I

P

I

Y

G

R

E

V

V

L

I

N

N

I

I

G

G

H

G

G

K

S

E

P

Q

V

A

S

S

L
x
I

M

L

H

D

F

I

I

I

E

S

T

M

L

L

E

E

N

K

A

I

L

S

G

G

R

K

K

S

A

A

I

T

K

K

Q

N

F

F

L

L

P

K

M

S

Q

V

D

P

G

G

D
x
E

V

P

K

K

A

Q

T

T

W

W

A

A

D

D

T

I

E

S

D

K

L

A

F

S

A

T

I

L

T

L

G

Q

V

Y

R

S

P

P

K

T

V

V

G

S

I

L

E

S

Q

D

G

G

V

L

K

E

A

A

F

E

A

Y

D

D

W

Y

Y

I

L

K

N

Q

Y

L

Y

Y

active site: T126 (≠ S127), S127 (= S128), S128 (= S129), Y149 (= Y152), K153 (= K156)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D32 (= D31), H33 (≠ N32), F34 (≠ L33), I35 (≠ N34), K43 (= K42), D62 (≠ E61), I63 (≠ L62), L81 (= L83), A82 (≠ G84), A83 (= A85), I124 (≠ A125), T126 (≠ S127), K153 (= K156), Y176 (≠ F179), T178 (= T181), R185 (= R188), M188 (= M191)
binding uridine-5'-diphosphate-glucuronic acid: P85 (≠ A87), R88 (= R90), T126 (≠ S127), S127 (= S128), S128 (= S129), Y149 (= Y152), F177 (= F180), T178 (= T181), R185 (= R188), M188 (= M191), A189 (= A192), R192 (≠ L195), T204 (≠ K207), F206 (= F209), Q211 (≠ M214), R213 (= R216), I250 (≠ L269), E276 (≠ D295)

6zl6A Crystal structure of udp-glucuronic acid 4-epimerase from bacillus cereus in complex with udp and NAD (see paper)
33% identity, 100% coverage: 1:333/334 of query aligns to 1:314/314 of 6zl6A

query
sites
6zl6A

M

M

K

K

I

I

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

H

A

L

C

C

K

Q

R

A

L

L

-

K

S

N

Q

S

G

A

H

Y

Q

H

V

V

H

V

G

G

I

I

D
|
D

N
x
H

L
x
F

N
x
I

D

G

Y

P

Y

T

D

P

V

A

S

T

L

L

K
|
K

Q

T

A

G

R

N

L

I

A

Q

A

S

L

L

A

E

S

L

H

N

P

S

H

R

F

F

Q

Q

F

F

Q

I

R

R

M

E

E
x
D

L
x
I

A

L

D

N

R

T

G

D

A

-

I

L

A

S

T

K

L

L

F

L

S

Q

T

D

I

I

K

-

P

-

D

D

W

V

V

V

L

Y

H

H

L
|
L

G
x
A

A
|
A

Q

I

A

P

G

G

V

V

R

R

Y

T

S

S

I

W

-

G

D

K

N

D

P

F

H

Q

A

P

Y

Y

A

V

D

T

A

N

N

N

L

I

V

M

G

V

H

T

L

Q

N

Q

I

L

L

L

E

E

G

A

C

C

R

K

Q

H

T

I

G

K

V

L

K

D

H

K

L

F

V

I

Y

H

A
x
I

S

S

S
x
T

S
|
S

V

V

Y

Y

G

G

L

-

N

-

K

E

K

K

L

S

P

G

F

A

A

V

T

S

S

E

D

D

S

L

V

L

D

P

H

I

P

P

V

L

S

S

L

P

Y
|
Y

A

G

A

V

T

T

K
|
K

K

L

A

S

N

G

E

E

L

H

M

L

S

C

H

H

S

V

Y

Y

A

H

H

K

L

N

Y

F

G

H

V

I

P

P

C

I

T

V

G

I

L

L

R

R

F
x
Y

F

F

T
|
T

V
|
V

Y

Y

G

G

P

P

W

R

G

Q

R
|
R

P

P

D

D

M
|
M

A
|
A

P

F

M

H

L
x
R

F

L

A

I

R

K

A

Q

I

M

M

L

A

E

G

D

E

K

P

P

I

L

K
x
T

V

I

F
|
F

N

G

Q

D

G

G

D

T

M
x
Q

S

T

R
|
R

D

D

F

F

T

T

F

Y

I

I

D

D

I

C

I

I

E

R

G

G

V

T

I

V

G

A

V

A

L

L

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

-

S

-

S

E

S

T

E

K

S

K

S

N

A

I

P

I

Y

G

R

E

V

V

L

I

N

N

I

I

G

G

H

G

G

K

S

E

P

Q

V

A

S

S

L
x
I

M

L

H

D

F

I

I

I

E

S

T

M

L

L

E

E

N

K

A

I

L

S

G

G

R

K

K

S

A

A

I

T

K

K

Q

N

F

F

L

L

P

K

M

S

Q

V

D

P

G

G

D
x
E

V

P

K

K

A

Q

T

T

W

W

A

A

D

D

T

I

E

S

D

K

L

A

F

S

A

T

I

L

T

L

G

Q

V

Y

R

S

P

P

K

T

V

V

G

S

I

L

E

S

Q

D

G

G

V

L

K

E

A

A

F

E

A

Y

D

D

W

Y

Y

I

L

K

N

Q

Y

L

Y

Y

active site: T126 (≠ S127), S127 (= S128), S128 (= S129), Y149 (= Y152), K153 (= K156)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D32 (= D31), H33 (≠ N32), F34 (≠ L33), I35 (≠ N34), K43 (= K42), D62 (≠ E61), I63 (≠ L62), L81 (= L83), A82 (≠ G84), A83 (= A85), I124 (≠ A125), T126 (≠ S127), K153 (= K156), Y176 (≠ F179), T178 (= T181), V179 (= V182), R185 (= R188), M188 (= M191)
binding uridine-5'-diphosphate: T178 (= T181), A189 (= A192), R192 (≠ L195), T204 (≠ K207), F206 (= F209), Q211 (≠ M214), R213 (= R216), I250 (≠ L269), E276 (≠ D295)

6zllA Crystal structure of udp-glucuronic acid 4-epimerase from bacillus cereus in complex with udp-galacturonic acid and NAD (see paper)
33% identity, 100% coverage: 1:333/334 of query aligns to 1:314/321 of 6zllA

query
sites
6zllA

M

M

K

K

I

I

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

H

A

L

C

C

K

Q

R

A

L

L

-

K

S

N

Q

S

G

A

H

Y

Q

H

V

V

H

V

G

G

I

I

D
|
D

N
x
H

L
x
F

N
x
I

D

G

Y

P

Y

T

D

P

V

A

S

T

L

L

K
|
K

Q

T

A

G

R

N

L

I

A

Q

A

S

L

L

A

E

S

L

H

N

P

S

H

R

F

F

Q

Q

F

F

Q

I

R

R

M

E

E
x
D

L
x
I

A

L

D

N

R

T

G

D

A

-

I

L

A

S

T

K

L

L

F

L

S

Q

T

D

I

I

K

-

P

-

D

D

W

V

V

V

L

Y

H

H

L
|
L

G
x
A

A
|
A

Q

I

A
x
P

G

G

V
|
V

R
|
R

Y

T

S

S

I

W

-

G

D

K

N

D

P

F

H

Q

A

P

Y

Y

A

V

D

T

A

N

N

N

L

I

V

M

G

V

H

T

L

Q

N

Q

I

L

L

L

E

E

G

A

C

C

R

K

Q

H

T

I

G

K

V

L

K

D

H

K

L

F

V

I

Y

H

A
x
I

S

S

S
x
T

S
|
S

V

V

Y

Y

G

G

L

-

N

-

K

E

K

K

L

S

P

G

F

A

A

V

T

S

S

E

D

D

S

L

V

L

D

P

H

I

P

P

V

L

S

S

L

P

Y
|
Y

A

G

A

V

T

T

K
|
K

K

L

A

S

N

G

E

E

L

H

M

L

S

C

H

H

S

V

Y

Y

A

H

H

K

L

N

Y

F

G

H

V

I

P

P

C

I

T

V

G

I

L

L

R

R

F
x
Y

F

F

T
|
T

V
|
V

Y

Y

G

G

P

P

W

R

G

Q

R
|
R

P

P

D

D

M
|
M

A
|
A

P

F

M

H

L
x
R

F

L

A

I

R

K

A

Q

I

M

M

L

A

E

G

D

E

K

P

P

I

L

K
x
T

V

I

F
|
F

N

G

Q

D

G

G

D

T

M
x
Q

S

T

R
|
R

D

D

F

F

T

T

F

Y

I

I

D

D

I

C

I

I

E

R

G

G

V

T

I

V

G

A

V

A

L

L

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

-

S

-

S

E

S

T

E

K

S

K

S

N

A

I

P

I

Y

G

R

E

V

V

L

I

N

N

I

I

G

G

H

G

G

K

S

E

P

Q

V

A

S

S

L
x
I

M

L

H

D

F

I

I

I

E

S

T

M

L

L

E

E

N

K

A

I

L

S

G

G

R

K

K

S

A

A

I

T

K

K

Q

N

F

F

L

L

P

K

M

S

Q

V

D

P

G

G

D
x
E

V

P

K

K

A

Q

T

T

W

W

A

A

D

D

T

I

E

S

D

K

L

A

F

S

A

T

I

L

T

L

G

Q

V

Y

R

S

P

P

K

T

V

V

G

S

I

L

E

S

Q

D

G

G

V

L

K

E

A

A

F

E

A

Y

D

D

W

Y

Y

I

L

K

N

Q

Y

L

Y

Y

active site: T126 (≠ S127), S127 (= S128), S128 (= S129), Y149 (= Y152), K153 (= K156)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D32 (= D31), H33 (≠ N32), F34 (≠ L33), I35 (≠ N34), K43 (= K42), D62 (≠ E61), I63 (≠ L62), L81 (= L83), A82 (≠ G84), A83 (= A85), I124 (≠ A125), T126 (≠ S127), Y149 (= Y152), K153 (= K156), Y176 (≠ F179), V179 (= V182), R185 (= R188), M188 (= M191)
binding (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid: P85 (≠ A87), V87 (= V89), R88 (= R90), T126 (≠ S127), S127 (= S128), Y149 (= Y152), T178 (= T181), R185 (= R188), A189 (= A192), R192 (≠ L195), T204 (≠ K207), F206 (= F209), Q211 (≠ M214), R213 (= R216), I250 (≠ L269), E276 (≠ D295)

6zljA Crystal structure of udp-glucuronic acid 4-epimerase y149f mutant from bacillus cereus in complex with udp-4-deoxy-4-fluoro-glucuronic acid and NAD (see paper)
33% identity, 100% coverage: 1:333/334 of query aligns to 1:314/314 of 6zljA

query
sites
6zljA

M

M

K

K

I

I

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

H

A

L

C

C

K

Q

R

A

L

L

-

K

S

N

Q

S

G

A

H

Y

Q

H

V

V

H

V

G

G

I

I

D
|
D

N
x
H

L
x
F

N
x
I

D

G

Y

P

Y

T

D

P

V

A

S

T

L

L

K
|
K

Q

T

A

G

R

N

L

I

A

Q

A

S

L

L

A

E

S

L

H

N

P

S

H

R

F

F

Q

Q

F

F

Q

I

R

R

M

E

E
x
D

L
x
I

A

L

D

N

R

T

G

D

A

-

I

L

A

S

T

K

L

L

F

L

S

Q

T

D

I

I

K

-

P

-

D

D

W

V

V

V

L

Y

H

H

L
|
L

G
x
A

A
|
A

Q

I

A
x
P

G

G

V

V

R
|
R

Y

T

S

S

I

W

-

G

D

K

N

D

P

F

H

Q

A

P

Y

Y

A

V

D

T

A

N

N

N

L

I

V

M

G

V

H

T

L

Q

N

Q

I

L

L

L

E

E

G

A

C

C

R

K

Q

H

T

I

G

K

V

L

K

D

H

K

L

F

V

I

Y

H

A
x
I

S

S

S
x
T

S
|
S

V

V

Y

Y

G

G

L

-

N

-

K

E

K

K

L

S

P

G

F

A

A

V

T

S

S

E

D

D

S

L

V

L

D

P

H

I

P

P

V

L

S

S

L

P

Y
x
F

A

G

A

V

T

T

K
|
K

K

L

A

S

N

G

E

E

L

H

M

L

S

C

H

H

S

V

Y

Y

A

H

H

K

L

N

Y

F

G

H

V

I

P

P

C

I

T

V

G

I

L

L

R

R

F
x
Y

F
|
F

T
|
T

V
|
V

Y

Y

G

G

P

P

W

R

G

Q

R
|
R

P

P

D

D

M
|
M

A
|
A

P

F

M

H

L
x
R

F

L

A

I

R

K

A

Q

I

M

M

L

A

E

G

D

E

K

P

P

I

L

K
x
T

V

I

F
|
F

N

G

Q

D

G

G

D

T

M
x
Q

S

T

R
|
R

D

D

F

F

T

T

F

Y

I

I

D

D

I

C

I

I

E

R

G

G

V

T

I

V

G

A

V

A

L

L

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

-

S

-

S

E

S

T

E

K

S

K

S

N

A

I

P

I

Y

G

R

E

V

V

L

I

N

N

I

I

G

G

H

G

G

K

S

E

P

Q

V

A

S

S

L
x
I

M

L

H

D

F

I

I

I

E

S

T

M

L

L

E

E

N

K

A

I

L

S

G

G

R

K

K

S

A

A

I

T

K

K

Q

N

F

F

L

L

P

K

M

S

Q

V

D

P

G

G

D
x
E

V

P

K

K

A

Q

T

T

W

W

A

A

D

D

T

I

E

S

D

K

L

A

F

S

A

T

I

L

T

L

G

Q

V

Y

R

S

P

P

K

T

V

V

G

S

I

L

E

S

Q

D

G

G

V

L

K

E

A

A

F

E

A

Y

D

D

W

Y

Y

I

L

K

N

Q

Y

L

Y

Y

active site: T126 (≠ S127), S127 (= S128), S128 (= S129), F149 (≠ Y152), K153 (= K156)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D32 (= D31), H33 (≠ N32), F34 (≠ L33), I35 (≠ N34), K43 (= K42), D62 (≠ E61), I63 (≠ L62), L81 (= L83), A82 (≠ G84), A83 (= A85), I124 (≠ A125), T126 (≠ S127), K153 (= K156), Y176 (≠ F179), T178 (= T181), V179 (= V182), R185 (= R188), M188 (= M191)
binding (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid: P85 (≠ A87), R88 (= R90), T126 (≠ S127), S127 (= S128), S128 (= S129), F149 (≠ Y152), F177 (= F180), T178 (= T181), R185 (= R188), M188 (= M191), A189 (= A192), R192 (≠ L195), T204 (≠ K207), F206 (= F209), Q211 (≠ M214), R213 (= R216), I250 (≠ L269), E276 (≠ D295)

4zrnA Crystal structure of udp-glucose 4-epimerase (tm0509) with udp-glucose from hyperthermophilic eubacterium thermotoga maritima (see paper)
29% identity, 99% coverage: 1:329/334 of query aligns to 1:304/309 of 4zrnA

query
sites
4zrnA

M

M

K

N

I

I

L

L

V

V

T

T

G
|
G

A

G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

H

A

V

C

V

K

D

R

K

L

L

L

I

S

E

Q

N

G

G

H

Y

Q

G

V

V

H

I

G

V

I

V

D
|
D

N
|
N

L

L

N
x
S

D

-

Y

-

D

-

V

-

S

-

L

-

K

-

Q
x
S

A
x
G

R

K

L

V

A

E

A

N

L

L

A

N

S

R

H

N

P

A

H

L

F

F

Q

Y

F

E

Q

Q

R
x
S

M
x
I

E

E

L

-

A

-

D

D

R

E

G

E

A

M

I

M

A

E

T

R

L

I

F

F

S

S

T

L

I

H

K

R

P

P

D

E

W

Y

V

V

L

F

H

H

L
|
L

G
x
A

A
|
A

Q

Q

A

A

G

S

V

V

R

A

Y

I

S

S

I

V

D

R

N

E

P

P

H

A

A

R

Y

D

A

A

D

K

A
x
T

N

N

L

I

V

I

G

G

H

S

L

L

N

V

I

L

L

L

E

E

G

K

C

S

R

I

Q

K

T

Y

G

G

V

V

K

K

H

K

L

F

V

I

Y

F

A
x
S

S
|
S

S
x
T

-

G

S
x
G

S
x
A

V

I

Y

Y

G

G

L

E

N

N

K

V

K

K

L

V

P

F

F

P

A

T

T

P

S

E

D

T

S

E

V

I

D

P

H

H

P

P

V

I

S

S

L

P

Y
|
Y

A

G

A

I

T

A

K
|
K

K

Y

A

S

N

T

E

E

L

M

M

Y

S

L

H

E

S

F

Y

F

A

A

H

R

L

E

Y

Y

G

G

V

L

P

K

C

Y

T

T

G

V

L

L

R

R

F
x
Y

F

A

T
x
N

V
|
V

Y

Y

G

G

P

P

W

R

G

Q

R

D

P

P

-
x
Y

-

G

-

E

D

A

M
x
G

A
x
V

P

V

M

A

L

I

F

F

A

T

R

E

A

R

I

M

M

L

A

R

G

G

E

E

P

E

I

V

K
x
H

V

I

F
|
F

N

G

Q

D

G

G

D

E

M
x
Y

S

V

R
|
R

D

D

F

Y

T

V

F

Y

I

V

D

D

I

V

E

R

G

-

V

-

I

-

G

-

V

-

L

-

P

-

L

-

P

-

S

-

T

-

S

A

S

N

Q

L

W

L

S

A

V

M

E

E

S

K

G

G

S

D

S

N

S

E

E

-

S

-

A

-

P

-

Y

-

R

-

V

V

L

F

N

N

I

I

G

G

H

T

G

G

S

R

P

G

V

T

S

T

L
x
V

M

N

H

Q

F

L

I

F

E

K

T

L

L

L

E

K

N

E

A

I

L

T

G

G

R

Y

K

D

A

K

I

E

K

P

Q

V

F

Y

L

K

P

P

M

P

Q
x
R

D

K

G

G

D
|
D

V

V

K

R

A

K

T

S

W

I

A

L

D

D

T

Y

E

T

D

K

L

A

F

K

A

E

I

K

T

L

G

G

V

W

R

E

P

P

K

K

V

V

G

S

I

L

E

E

Q

E

G

G

V

L

K

K

A

L

F

T

A

V

D

E

W

Y

Y

F

active site: T117 (≠ S127), G119 (≠ S128), A120 (≠ S129), Y143 (= Y152), K147 (= K156), Y181 (vs. gap), G185 (≠ M191)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D31 (= D31), N32 (= N32), S34 (≠ N34), S35 (≠ Q43), G36 (≠ A44), S51 (≠ R59), I52 (≠ M60), L73 (= L83), A74 (≠ G84), A75 (= A85), T92 (≠ A102), S115 (≠ A125), S116 (= S126), Y143 (= Y152), K147 (= K156), Y170 (≠ F179), V173 (= V182)
binding uridine-5'-diphosphate-glucose: T117 (≠ S127), G119 (≠ S128), A120 (≠ S129), Y143 (= Y152), N172 (≠ T181), G185 (≠ M191), V186 (≠ A192), H201 (≠ K207), F203 (= F209), Y208 (≠ M214), R210 (= R216), V244 (≠ L269), R267 (≠ Q292), D270 (= D295)

7ys9A Crystal structure of udp-glucose 4-epimerase (rv3634c) in complex with both udp-glucose and udp-galactose in chaina from mycobacterium tuberculosis
31% identity, 99% coverage: 1:329/334 of query aligns to 1:308/310 of 7ys9A

query
sites
7ys9A

M

M

K

R

I

A

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

T

A

L

C

V

K

D

R

R

L

L

S

A

Q

D

G

G

H

H

Q

S

V

V

H

V

G

G

I

L

D
|
D

N
|
N

L

F

N

-

D

-

Y

-

D

-

V
x
A

S
x
T

L
x
G

K

R

Q

A

A

T

R

N

L

L

A

E

A

H

L

L

A

A

S

D

H

N

P

S

H

A

F

H

Q

V

F

F

Q

V

R

E

M

A

E
x
D

L
x
I

-

V

-

T

A

A

D

D

R

L

G

H

A

A

I

I

A

-

T

-

L

-

F

L

S

E

T

Q

I

H

K

R

P

P

D

E

W

V

V

V

L

F

H

H

L
|
L

G
x
A

A
|
A

Q

Q

A
x
I

G

D

V

V

R
|
R

Y

R

S

S

I

V

D

A

N

D

P

P

H

Q

A

F

Y

D

A

A

D

A

A

V

N

N

L

V

V

I

G

G

H

T

L

V

N

R

I

L

L

A

E

E

G

A

C

A

R

R

Q

Q

T

T

G

G

V

V

K

R

H

K

L

I

V

V

Y

H

A
x
T

S

S

S
|
S

-

G

S
x
G

S

S

V

I

Y

Y

G

G

L

T

N

P

K

P

K

E

L

Y

P

P

F

T

A

P

T

E

S

T

D

A

S

P

V

T

D

D

H

-

P

P

V

A

S

S

L

P

Y
|
Y

A

A

T

G

K
|
K

K

V

A

A

N

G

E

E

L

I

M

Y

S

L

H

N

S

T

Y

F

A

R

H

H

L

L

Y

Y

G

G

V

L

P

D

C

C

T

S

G

H

L

I

R

A

F
x
P

F
x
A

T
x
N

V
|
V

Y

Y

G

G

P

P

W

R

G

Q

R

D

P

P

D

H

M

G

A

E

P
x
A

-
x
G

-
x
V

-

V

M

A

L

I

F
|
F

A

A

R

Q

A

A

I

L

M

L

A

S

G

G

E

K

P

P

I

T

K
x
R

V

V

F
|
F

N

G

Q

D

G

G

D

T

M
x
N

S

T

R
|
R

D

D

F

Y

T

V

F

-

I

-

D

-

I

-

E

-

G

-

V

-

I

-

G

-

V

-

L

-

P

-

L

-

P

-

S

F

T

V

S

D

Q

V

W

V

S

D

V

A

E

F

S

V

G

R

S

V

S

S

S

A

E

D

S

V

S

G

A

G

P

G

Y

L

R

R

V

-

L

F

N

N

I

I

G

G

H

T

G

G

S

K

P

E

V

T

S

S

L
x
D

M

R

H

Q

F

L

I

H

E

S

T

A

L

V

E

A

N

A

A

A

L

V

G

G

R

G

K

P

A

D

I

D

K

P

Q

E

F

F

L

H

P

P

M

P

Q
x
R

D

L

G

G

D

D

V

L

K

K

A

R

T

S

W

C

A

L

D

D

T

I

E

G

D

L

L

A

F

E

A

R

I

V

T

L

G

G

V

W

R

R

P

P

K

Q

V

I

G

E

I

L

E

A

Q

D

G

G

V

V

K

R

A

R

F

T

A

V

D

E

W

Y

Y

F

binding galactose-uridine-5'-diphosphate: I81 (≠ A87), R84 (= R90), S121 (= S127), G123 (≠ S128), Y146 (= Y152), A174 (≠ F180), N175 (≠ T181), A187 (≠ P193), G188 (vs. gap), V189 (vs. gap), F193 (= F196), R204 (≠ K207), F206 (= F209), N211 (≠ M214), R213 (= R216), D248 (≠ L269), R271 (≠ Q292)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D31 (= D31), N32 (= N32), A34 (≠ V39), T35 (≠ S40), G36 (≠ L41), D56 (≠ E61), I57 (≠ L62), L77 (= L83), A78 (≠ G84), A79 (= A85), I81 (≠ A87), T119 (≠ A125), Y146 (= Y152), K150 (= K156), P173 (≠ F179), A174 (≠ F180), V176 (= V182)
binding uridine-5'-diphosphate-glucose: I81 (≠ A87), R84 (= R90), S121 (= S127), G123 (≠ S128), Y146 (= Y152), A174 (≠ F180), N175 (≠ T181), A187 (≠ P193), G188 (vs. gap), V189 (vs. gap), F193 (= F196), R204 (≠ K207), F206 (= F209), N211 (≠ M214), R213 (= R216), D248 (≠ L269), R271 (≠ Q292)

7ystA Crystal structure of udp-glucose 4-epimerase (rv3634c) in complex with both udp-glucose and udp-galactose in chain b from mycobacterium tuberculosis
31% identity, 99% coverage: 1:329/334 of query aligns to 1:308/312 of 7ystA

query
sites
7ystA

M

M

K

R

I

A

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

T

A

L

C

V

K

D

R

R

L

L

S

A

Q

D

G

G

H

H

Q

S

V

V

H

V

G

G

I

L

D
|
D

N
|
N

L

F

N

A

D
x
T

Y
x
G

Y

R

D

A

V

T

S

N

L

L

K

E

Q

H

A

-

R

-

L

L

A

A

A

D

L

N

A

S

S

A

H

H

P

V

H

-

F

F

Q

V

F

E

Q

A

R
x
D

M
x
I

E

V

L

T

A

A

D

D

R

L

G

H

A

A

I

I

A

-

T

-

L

-

F

L

S

E

T

Q

I

H

K

R

P

P

D

E

W

V

V

V

L

F

H

H

L
|
L

G
x
A

A
|
A

Q

Q

A
x
I

G

D

V

V

R
|
R

Y

R

S

S

I

V

D

A

N

D

P

P

H

Q

A

F

Y

D

A

A

D

A

A
x
V

N

N

L

V

V

I

G

G

H

T

L

V

N

R

I

L

L

A

E

E

G

A

C

A

R

R

Q

Q

T

T

G

G

V

V

K

R

H

K

L

I

V

V

Y

H

A
x
T

S

S

S
|
S

-

G

S
x
G

S

S

V

I

Y

Y

G

G

L

T

N

P

K

P

K

E

L

Y

P

P

F

T

A

P

T

E

S

T

D

A

S

P

V

T

D

D

H

-

P

P

V

A

S

S

L

P

Y
|
Y

A

A

T

G

K
|
K

K

V

A

A

N

G

E

E

L

I

M

Y

S

L

H

N

S

T

Y

F

A

R

H

H

L

L

Y

Y

G

G

V

L

P

D

C

C

T

S

G

H

L

I

R

A

F
x
P

F
x
A

T
x
N

V
|
V

Y

Y

G

G

P

P

W

R

G

Q

R

D

P

P

D

H

M

G

A

E

P
x
A

-
x
G

-
x
V

-

V

M

A

L

I

F
|
F

A

A

R

Q

A

A

I

L

M

L

A

S

G

G

E

K

P

P

I

T

K
x
R

V
|
V

F
|
F

N

G

Q

D

G

G

D

T

M

N

S

T

R
|
R

D

D

F

Y

T

V

F

-

I

-

D

-

I

-

E

-

G

-

V

-

I

-

G

-

V

-

L

-

P

-

L

-

P

-

S

F

T

V

S

D

Q

V

W

V

S

D

V

A

E

F

S

V

G

R

S

V

S

S

S

A

E

D

S

V

S

G

A

G

P

G

Y

L

R

R

V

-

L

F

N

N

I

I

G

G

H

T

G

G

S

K

P

E

V

T

S

S

L
x
D

M

R

H

Q

F

L

I

H

E

S

T

A

L

V

E

A

N

A

A

A

L

V

G

G

R

G

K

P

A

D

I

D

K

P

Q

E

F

F

L

H

P

P

M

P

Q
x
R

D

L

G

G

D

D

V

L

K

K

A

R

T

S

W

C

A

L

D

D

T

I

E

G

D

L

L

A

F

E

A

R

I

V

T

L

G

G

V

W

R

R

P

P

K

Q

V

I

G

E

I

L

E

A

Q

D

G

G

V

V

K

R

A

R

F

T

A

V

D

E

W

Y

Y

F

binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D31 (= D31), N32 (= N32), T35 (≠ D35), G36 (≠ Y36), D56 (≠ R59), I57 (≠ M60), L77 (= L83), A78 (≠ G84), A79 (= A85), I81 (≠ A87), V96 (≠ A102), T119 (≠ A125), Y146 (= Y152), K150 (= K156), P173 (≠ F179), A174 (≠ F180), N175 (≠ T181), V176 (= V182)
binding uridine-5'-diphosphate-glucose: I81 (≠ A87), R84 (= R90), S121 (= S127), G123 (≠ S128), Y146 (= Y152), A174 (≠ F180), N175 (≠ T181), A187 (≠ P193), G188 (vs. gap), V189 (vs. gap), F193 (= F196), R204 (≠ K207), V205 (= V208), F206 (= F209), R213 (= R216), D248 (≠ L269), R271 (≠ Q292)

7ysmA Crystal structure of udp-glucose 4-epimerase (rv3634c) co-crystallized with udp-n-acetylglucosamine from mycobacterium tuberculosis
31% identity, 99% coverage: 1:329/334 of query aligns to 1:308/311 of 7ysmA

query
sites
7ysmA

M

M

K

R

I

A

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

T

A

L

C

V

K

D

R

R

L

L

S

A

Q

D

G

G

H

H

Q

S

V

V

H

V

G

G

I

L

D
|
D

N
|
N

L

F

N

-

D

-

Y

-

D

-

V

A

S
x
T

L
x
G

K

R

Q

A

A

T

R

N

L

L

A

E

A

H

L

L

A

A

S

D

H

N

P

S

H

A

F

H

Q

V

F

F

Q

V

R

E

M

A

E
x
D

L
x
I

-

V

-

T

A

A

D

D

R

L

G

H

A

A

I

I

A

-

T

-

L

-

F

L

S

E

T

Q

I

H

K

R

P

P

D

E

W

V

V

V

L

F

H

H

L
|
L

G
x
A

A
|
A

Q

Q

A
x
I

G

D

V

V

R
|
R

Y

R

S

S

I

V

D

A

N

D

P

P

H

Q

A

F

Y

D

A

A

D

A

A

V

N

N

L

V

V

I

G

G

H

T

L

V

N

R

I

L

L

A

E

E

G

A

C

A

R

R

Q

Q

T

T

G

G

V

V

K

R

H

K

L

I

V

V

Y

H

A
x
T

S

S

S
|
S

-

G

S
x
G

S
|
S

V

I

Y

Y

G

G

L

T

N

P

K

P

K

E

L

Y

P

P

F

T

A

P

T

E

S

T

D

A

S

P

V

T

D

D

H

-

P

P

V

A

S

S

L

P

Y
|
Y

A

A

T

G

K
|
K

K

V

A

A

N

G

E

E

L

I

M

Y

S

L

H

N

S

T

Y

F

A

R

H

H

L

L

Y

Y

G

G

V

L

P

D

C

C

T

S

G

H

L

I

R

A

F
x
P

F
x
A

T
x
N

V
|
V

Y

Y

G

G

P

P

W

R

G

Q

R

D

P

P

D

H

M

G

A

E

P

A

-
x
G

-
x
V

-

V

M

A

L

I

F
|
F

A

A

R

Q

A

A

I

L

M

L

A

S

G

G

E

K

P

P

I

T

K
x
R

V
|
V

F
|
F

N

G

Q

D

G

G

D

T

M
x
N

S

T

R
|
R

D

D

F

Y

T

V

F

-

I

-

D

-

I

-

E

-

G

-

V

-

I

-

G

-

V

-

L

-

P

-

L

-

P

-

S

F

T

V

S

D

Q

V

W

V

S

D

V

A

E

F

S

V

G

R

S

V

S

S

S

A

E

D

S

V

S

G

A

G

P

G

Y

L

R

R

V

-

L

F

N

N

I

I

G

G

H

T

G

G

S

K

P

E

V

T

S

S

L
x
D

M

R

H

Q

F

L

I

H

E

S

T

A

L

V

E

A

N

A

A

A

L

V

G

G

R

G

K

P

A

D

I

D

K

P

Q

E

F

F

L

H

P

P

M

P

Q
x
R

D

L

G

G

D

D

V

L

K

K

A

R

T

S

W

C

A

L

D

D

T

I

E

G

D

L

L

A

F

E

A

R

I

V

T

L

G

G

V

W

R

R

P

P

K

Q

V

I

G

E

I

L

E

A

Q

D

G

G

V

V

K

R

A

R

F

T

A

V

D

E

W

Y

Y

F

binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D31 (= D31), N32 (= N32), T35 (≠ S40), G36 (≠ L41), D56 (≠ E61), I57 (≠ L62), L77 (= L83), A78 (≠ G84), A79 (= A85), I81 (≠ A87), T119 (≠ A125), Y146 (= Y152), K150 (= K156), P173 (≠ F179), N175 (≠ T181), V176 (= V182)
binding uridine-diphosphate-n-acetylgalactosamine: I81 (≠ A87), R84 (= R90), S121 (= S127), G123 (≠ S128), S124 (= S129), Y146 (= Y152), A174 (≠ F180), N175 (≠ T181), G188 (vs. gap), V189 (vs. gap), F193 (= F196), R204 (≠ K207), V205 (= V208), F206 (= F209), N211 (≠ M214), R213 (= R216), D248 (≠ L269), R271 (≠ Q292)

Q7BJX9 UDP-N-acetylglucosamine 4-epimerase; UDP-GalNAc 4-epimerase; EC 5.1.3.7 from Plesiomonas shigelloides (Aeromonas shigelloides) (see 2 papers)
29% identity, 99% coverage: 4:332/334 of query aligns to 23:342/345 of Q7BJX9

query
sites
Q7BJX9

L

L

V

I

T

T

G
|
G

A
x
V

A
|
A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

N

A

L

C

L

K

E

R

K

L

L

S

K

Q

L

G

N

H

Q

Q

V

V

V

H

I

G

G

I

L

D
|
D

N
|
N

L
x
F

N
x
S

D
x
T

Y
x
G

Y

H

D

Q

V

Y

S

N

L

L

K

D

Q

E

A

V

R

K

-

T

L

L

A

V

A

S

L

T

A

E

S

Q

H

W

P

S

H

R

F

F

Q

C

F

F

Q

I

R

E

M

G

E
x
D

L
x
I

A

R

D

D

R

L

G

T

A

T

I

C

A

E

T

Q

L

V

F

M

S

K

T

G

I

V

K

-

P

-

D

D

W

H

V

V

L

L

H

H

L
x
Q

G
x
A

A
|
A

Q

L

A

G

G

S

V

V

R

P

Y

R

S

S

I

I

D

V

N

D

P

P

H

I

A

T

Y

T

A

N

D

A

A
x
T

N

N

L

I

V

T

G

G

H

F

L

L

N

N

I

I

L

L

E

H

G

A

C

A

R

K

Q

N

T

A

G

Q

V

V

K

Q

H

S

L

F

V

T

Y

Y

A

A

S

A

S
|
S

V

T

Y

Y

G

G

L

D

N

H

K

P

K

A

L

L

P

P

F

-

A

K

T

V

S

E

D

E

S

N

V

I

D

G

H

N

P

P

V

L

S

S

L

P

Y
|
Y

A

A

A

V

T

T

K
|
K

K

Y

A

V

N

N

E

E

L

I

M

Y

S

A

H

Q

S

V

Y

Y

A

A

H

R

L

T

Y

Y

G

G

V

F

P

K

C

T

T

I

G

G

L

L

R

R

F
x
Y

F
|
F

T
x
N

V
|
V

Y

F

G

G

P

R

W

R

G

Q

R

D

P

P

D

N

M

G

A

A

-

Y

-

A

-
x
V

-
x
I

P
|
P

M
x
K

L

W

F

T

A

A

R

-

A

A

I

M

M

L

A

K

G

G

E

D

P

D

I

V

K
x
Y

V
x
I

F
x
N

N

G

Q

D

G

G

D

E

M

T

S
|
S

R
|
R

D

D

F

F

T

C

F

Y

I

I

D

D

D

N

I

V

I

I

E

Q

-

M

G

N

V

I

I

L

G

S

V

A

L

L

P

A

L

K

P

D

P

S

S

A

T

K

S

D

S

N

Q

I

W

Y

S

N

V

V

E

A

S

V

G

G

S

D

S
x
R

S

T

E

-

S

-

A

-

P

-

Y

-

R

-

V

T

L

L

N

N

I

E

G

L

H

S

G

G

-

Y

-

I

-

Y

S

D

P

E

V

L

S

N

L

L

M

I

H

H

F

H

I

I

E

D

T

K

L

L

E

-

N

-

A

-

L

-

G

-

R

-

K

-

A

S

I

I

K

K

Q

-

F

Y

L

R

P

E

M

F

Q
x
R

D
x
S

G
|
G

D
|
D

V

V

K
x
R

A
x
H

T
x
S

W

Q

A

A

D

D

T

V

E

T

D

K

L

A

F

I

A

D

I

L

T

L

G

K

V

Y

R

R

P

P

K

N

V

I

G

K

I

I

E

R

Q

E

G

G

V

L

K

R

A

L

F

S

A

M

D

P

W

W

Y

Y

L

V

N

R

Y

F

GVAGFI 26:31 (≠ GAAGFI 7:12) binding
DNFSTG 50:55 (≠ DNLNDY 31:36) binding
DI 81:82 (≠ EL 61:62) binding
QAA 101:103 (≠ LGA 83:85) binding
T120 (≠ A102) binding
SS 145:146 (= SS 127:128) binding
S147 (= S129) mutation to T: No effect on epimerase activity.
Y169 (= Y152) binding
K173 (= K156) binding
YFN 196:198 (≠ FFT 179:181) binding
V199 (= V182) binding
VIPK 213:216 (≠ --PM 193:194) binding
YIN 228:230 (≠ KVF 207:209) binding
S236 (= S215) mutation to G: No effect on epimerase activity.
R237 (= R216) binding
R271 (≠ S249) mutation to G: No effect on epimerase activity.
RSGD 302:305 (≠ QDGD 292:295) binding
R307 (≠ K297) mutation to A: No effect on epimerase activity.
H308 (≠ A298) mutation to A: No effect on epimerase activity.
S309 (≠ T299) mutation to Y: Abolishes epimerase activity.

3ruhA Alternative analogs as viable substrates of udp-hexose 4-epimerases
28% identity, 99% coverage: 4:332/334 of query aligns to 20:334/336 of 3ruhA

query
sites
3ruhA

L

L

V

I

T

T

G
|
G

A

V

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

N

A

L

C

L

K

E

R

K

L

L

S

K

Q

L

G

N

H

Q

Q

V

V

V

H

I

G

G

I

L

D
|
D

N
|
N

L

F

N
x
S

D
x
T

Y
x
G

Y

H

D

Q

V

Y

S

N

L

L

K

D

Q

E

A

V

R

K

-

T

L

L

A

V

A

S

L

T

A

E

S

Q

H

W

P

S

H

R

F

F

Q

C

F

F

Q

I

R

E

M

G

E
x
D

L
x
I

A

R

D

D

R

L

G

T

A

T

I

C

A

E

T

Q

L

V

F

M

S

K

T

G

I

V

K

-

P

-

D

D

W

H

V

V

L

L

H

H

L
x
Q

G
x
A

A
|
A

Q

L

A
x
G

G
x
S

V

V

R

P

Y

R

S

S

I

I

D

V

N

D

P

P

H

I

A

T

Y

T

A

N

D

A

A
x
T

N

N

L

I

V

T

G

G

H

F

L

L

N

N

I

I

L

L

E

H

G

A

C

A

R

K

Q

N

T

A

G

Q

V

V

K

Q

H

S

L

F

V

T

Y

Y

A
|
A

S
x
A

S
|
S

V

T

Y

Y

G

G

L

D

N

H

K

P

K

A

L

L

P

P

F

-

A

K

T

V

S

E

D

E

S

N

V

I

D

G

H

N

P

P

V

L

S

S

L

P

Y
|
Y

A

A

A

V

T

T

K
|
K

K

Y

A

V

N

N

E

E

L

I

M

Y

S

A

H

Q

S

V

Y

Y

A

A

H

R

L

T

Y

Y

G

G

V

F

P

K

C

T

T

I

G

G

L

L

R

R

F
x
Y

F

F

T
x
N

V
|
V

Y

F

G

G

P

R

W

R

G

Q

R

D

P

P

D
x
N

M

G

A

A

-

Y

-

A

-
x
A

-
x
V

-

I

P

P

M
x
K

L
x
W

F

T

A

A

R

-

A

A

I

M

M

L

A

K

G

G

E

D

P

D

I

V

K
x
Y

V
x
I

F
x
N

N

G

Q

D

G

G

D

E

M

T

S

S

R
|
R

D

D

F

F

T

C

F

Y

I

I

D

D

D

N

I

V

I

I

E

Q

G

-

V

-

I

M

G

N

V

I

L

L

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

S

S

A

S

L

S

A

E

K

S

D

S

S

A

A

P

K

Y

D

R

N

V

I

L

Y

N

N

I

V

G

A

H

V

G

G

S

D

P

R

V

T

S

T

L
|
L

M

N

H

E

F

L

I

S

E

G

T

Y

L

I

E

Y

N

D

A

E

L

L

G

N

R

L

K

I

A

H

I

H

K

I

Q

K

F

Y

L

R

P

E

M

F

Q
x
R

D

S

G

G

D
|
D

V
|
V

K

R

A

H

T
x
S

W

Q

A

A

D

D

T

V

E

T

D

K

L

A

F

I

A

D

I

L

T

L

G

K

V

Y

R

R

P

P

K

N

V

I

G

K

I

I

E

R

Q

E

G

G

V

L

K

R

A

L

F

S

A

M

D

P

W

W

Y

Y

L

V

N

R

Y

F

active site: S142 (= S127), S143 (= S128), S144 (= S129), Y166 (= Y152), K170 (= K156), N204 (≠ D190)
binding nicotinamide-adenine-dinucleotide: G23 (= G7), G26 (= G10), F27 (= F11), I28 (= I12), D47 (= D31), N48 (= N32), S50 (≠ N34), T51 (≠ D35), G52 (≠ Y36), D78 (≠ E61), I79 (≠ L62), Q98 (≠ L83), A99 (≠ G84), A100 (= A85), T117 (≠ A102), A140 (= A125), A141 (≠ S126), S142 (= S127), Y166 (= Y152), K170 (= K156), Y193 (≠ F179), V196 (= V182)
binding [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl][(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate: G102 (≠ A87), S103 (≠ G88), S142 (= S127), S143 (= S128), S144 (= S129), Y166 (= Y152), Y193 (≠ F179), N195 (≠ T181), A209 (vs. gap), V210 (vs. gap), K213 (≠ M194), W214 (≠ L195), Y225 (≠ K207), I226 (≠ V208), N227 (≠ F209), R234 (= R216), L271 (= L269), R294 (≠ Q292), D297 (= D295), V298 (= V296), S301 (≠ T299)

3rufA Alternative analogs as viable substrates of udp-hexose 4-epimerases
28% identity, 99% coverage: 4:332/334 of query aligns to 20:334/336 of 3rufA

query
sites
3rufA

L

L

V

I

T

T

G
|
G

A

V

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

N

A

L

C

L

K

E

R

K

L

L

S

K

Q

L

G

N

H

Q

Q

V

V

V

H

I

G

G

I

L

D
|
D

N
|
N

L

F

N
x
S

D
x
T

Y
x
G

Y

H

D

Q

V

Y

S

N

L

L

K

D

Q

E

A

V

R

K

-

T

L

L

A

V

A

S

L

T

A

E

S

Q

H

W

P

S

H

R

F

F

Q

C

F

F

Q

I

R

E

M

G

E
x
D

L
x
I

A

R

D

D

R

L

G

T

A

T

I

C

A

E

T

Q

L

V

F

M

S

K

T

G

I

V

K

-

P

-

D

D

W

H

V

V

L

L

H

H

L
x
Q

G
x
A

A
|
A

Q

L

A

G

G

S

V

V

R

P

Y

R

S

S

I

I

D

V

N

D

P

P

H

I

A

T

Y

T

A

N

D

A

A
x
T

N

N

L

I

V

T

G

G

H

F

L

L

N

N

I

I

L

L

E

H

G

A

C

A

R

K

Q

N

T

A

G

Q

V

V

K

Q

H

S

L

F

V

T

Y

Y

A
|
A

S

A

S
|
S

V

T

Y

Y

G

G

L

D

N

H

K

P

K

A

L

L

P

P

F

-

A

K

T

V

S

E

D

E

S

N

V

I

D

G

H

N

P

P

V

L

S

S

L

P

Y
|
Y

A

A

A

V

T

T

K
|
K

K

Y

A

V

N

N

E

E

L

I

M

Y

S

A

H

Q

S

V

Y

Y

A

A

H

R

L

T

Y

Y

G

G

V

F

P

K

C

T

T

I

G

G

L

L

R

R

F
x
Y

F

F

T
x
N

V
|
V

Y

F

G

G

P

R

W

R

G

Q

R

D

P

P

D
x
N

M

G

A

A

-

Y

-

A

-
x
A

-
x
V

-

I

P

P

M
x
K

L
x
W

F

T

A

A

R

-

A

A

I

M

M

L

A

K

G

G

E

D

P

D

I

V

K
x
Y

V
x
I

F
x
N

N

G

Q

D

G

G

D

E

M

T

S

S

R
|
R

D

D

F

F

T

C

F

Y

I

I

D

D

D

N

I

V

I

I

E

Q

G

-

V

-

I

M

G

N

V

I

L

L

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

S

S

A

S

L

S

A

E

K

S

D

S

S

A

A

P

K

Y

D

R

N

V

I

L

Y

N

N

I

V

G

A

H

V

G

G

S

D

P

R

V

T

S

T

L
|
L

M

N

H

E

F

L

I

S

E

G

T

Y

L

I

E

Y

N

D

A

E

L

L

G

N

R

L

K

I

A

H

I

H

K

I

Q

K

F

Y

L

R

P

E

M

F

Q
x
R

D

S

G

G

D
|
D

V

V

K

R

A

H

T

S

W

Q

A

A

D

D

T

V

E

T

D

K

L

A

F

I

A

D

I

L

T

L

G

K

V

Y

R

R

P

P

K

N

V

I

G

K

I

I

E

R

Q

E

G

G

V

L

K

R

A

L

F

S

A

M

D

P

W

W

Y

Y

L

V

N

R

Y

F

active site: S142 (= S127), S143 (= S128), S144 (= S129), Y166 (= Y152), K170 (= K156), N204 (≠ D190)
binding nicotinamide-adenine-dinucleotide: G23 (= G7), G26 (= G10), F27 (= F11), I28 (= I12), D47 (= D31), N48 (= N32), S50 (≠ N34), T51 (≠ D35), G52 (≠ Y36), D78 (≠ E61), I79 (≠ L62), Q98 (≠ L83), A99 (≠ G84), A100 (= A85), T117 (≠ A102), A140 (= A125), Y166 (= Y152), K170 (= K156), Y193 (≠ F179), V196 (= V182)
binding uridine-5'-diphosphate: N195 (≠ T181), A209 (vs. gap), V210 (vs. gap), K213 (≠ M194), W214 (≠ L195), Y225 (≠ K207), I226 (≠ V208), N227 (≠ F209), R234 (= R216), L271 (= L269), R294 (≠ Q292), D297 (= D295)

3lu1A Crystal structure analysis of wbgu: a udp-galnac 4-epimerase (see paper)
28% identity, 99% coverage: 4:332/334 of query aligns to 20:334/336 of 3lu1A

query
sites
3lu1A

L

L

V

I

T

T

G
|
G

A

V

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

N

A

L

C

L

K

E

R

K

L

L

S

K

Q

L

G

N

H

Q

Q

V

V

V

H

I

G

G

I

L

D
|
D

N
|
N

L

F

N
x
S

D
x
T

Y
x
G

Y

H

D

Q

V

Y

S

N

L

L

K

D

Q

E

A

V

R

K

-

T

L

L

A

V

A

S

L

T

A

E

S

Q

H

W

P

S

H

R

F

F

Q

C

F

F

Q

I

R

E

M

G

E
x
D

L
x
I

A

R

D

D

R

L

G

T

A

T

I

C

A

E

T

Q

L

V

F

M

S

K

T

G

I

V

K

-

P

-

D

D

W

H

V

V

L

L

H

H

L
x
Q

G
x
A

A
|
A

Q

L

A

G

G
x
S

V

V

R

P

Y

R

S

S

I

I

D

V

N

D

P

P

H

I

A

T

Y

T

A

N

D

A

A

T

N

N

L

I

V

T

G

G

H

F

L

L

N

N

I

I

L

L

E

H

G

A

C

A

R

K

Q

N

T

A

G

Q

V

V

K
x
Q

H

S

L

F

V

T

Y

Y

A
|
A

S
x
A

S
|
S

V

T

Y

Y

G

G

L

D

N

H

K

P

K

A

L

L

P

P

F

-

A

K

T

V

S

E

D

E

S

N

V

I

D

G

H

N

P

P

V

L

S

S

L

P

Y
|
Y

A

A

A

V

T

T

K
|
K

K

Y

A

V

N

N

E

E

L

I

M

Y

S

A

H

Q

S

V

Y

Y

A

A

H

R

L

T

Y

Y

G

G

V

F

P
x
K

C

T

T

I

G

G

L

L

R

R

F
x
Y

F

F

T
x
N

V

V

Y

F

G

G

P

R

W

R

G

Q

R

D

P

P

D
x
N

M

G

A

A

-

Y

-

A

-
x
V

-

I

P

P

M

K

L
x
W

F

T

A

A

R

-

A

A

I

M

M

L

A

K

G

G

E

D

P

D

I

V

K
x
Y

V
x
I

F
x
N

N

G

Q

D

G

G

D

E

M

T

S

S

R
|
R

D

D

F

F

T

C

F

Y

I

I

D

D

D

N

I

V

I

I

E

Q

G

-

V

-

I

M

G

N

V

I

L

L

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

S

S

A

S

L

S

A

E

K

S

D

S

S

A

A

P

K

Y

D

R

N

V

I

L

Y

N

N

I

V

G

A

H

V

G

G

S

D

P

R

V

T

S

T

L
|
L

M

N

H

E

F

L

I

S

E

G

T

Y

L

I

E

Y

N

D

A

E

L

L

G

N

R

L

K

I

A

H

I

H

K

I

Q

K

F

Y

L

R

P

E

M

F

Q
x
R

D

S

G

G

D
|
D

V

V

K

R

A

H

T

S

W

Q

A

A

D

D

T

V

E

T

D

K

L

A

F

I

A

D

I

L

T

L

G

K

V

Y

R

R

P

P

K

N

V

I

G

K

I

I

E

R

Q

E

G

G

V

L

K

R

A

L

F

S

A

M

D

P

W

W

Y

Y

L

V

N

R

Y

F

active site: S142 (= S127), S143 (= S128), S144 (= S129), Y166 (= Y152), K170 (= K156), N204 (≠ D190)
binding glycine: Q135 (≠ K120), K187 (≠ P173)
binding nicotinamide-adenine-dinucleotide: G23 (= G7), G26 (= G10), F27 (= F11), I28 (= I12), D47 (= D31), N48 (= N32), S50 (≠ N34), T51 (≠ D35), G52 (≠ Y36), D78 (≠ E61), I79 (≠ L62), Q98 (≠ L83), A99 (≠ G84), A100 (= A85), A140 (= A125), A141 (≠ S126), S142 (= S127), Y166 (= Y152), K170 (= K156), Y193 (≠ F179), N195 (≠ T181)
binding uridine-diphosphate-n-acetylgalactosamine: S103 (≠ G88), S142 (= S127), S143 (= S128), S144 (= S129), Y166 (= Y152), N195 (≠ T181), V210 (vs. gap), W214 (≠ L195), Y225 (≠ K207), I226 (≠ V208), N227 (≠ F209), R234 (= R216), L271 (= L269), R294 (≠ Q292), D297 (= D295)

1sb8A Crystal structure of pseudomonas aeruginosa udp-n-acetylglucosamine 4- epimerase complexed with udp-n-acetylgalactosamine (see paper)
27% identity, 99% coverage: 4:332/334 of query aligns to 20:339/341 of 1sb8A

query
sites
1sb8A

L

L

V

I

T

T

G
|
G

A

V

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

N

A

L

C

L

K

E

R

T

L

L

S

K

Q

L

G

D

H

Q

Q

K

V

V

H

V

G

G

I

L

D
|
D

N
|
N

L
x
F

N

A

D
x
T

Y
x
G

Y

H

D

Q

V

R

S

N

L

L

K

D

Q

E

A

V

R

R

-

S

L

L

A

V

A

S

L

E

A

K

S

Q

H

W

P

S

H

N

F

F

Q

K

F

F

Q

I

R

Q

M

G

E
x
D

L
x
I

A

R

D

N

R

L

G

D

A

D

I

C

A

N

T

N

L

A

F

C

S

A

T

G

I

V

K

-

P

-

D

D

W

Y

V

V

L

L

H

H

L
x
Q

G

A

A
|
A

Q

L

A

G

G
x
S

V

V

R

P

Y

R

S

S

I

I

D

N

N

D

P

P

H

I

A

T

Y

S

A

N

D

A

A
x
T

N

N

L

I

V

D

G

G

H

F

L

L

N

N

I

M

L

L

E

I

G

A

C

A

R

R

Q

D

T

A

G

K

V

V

K

Q

H

S

L

F

V

T

Y

Y

A
|
A

S
x
A

S
|
S

V

T

Y

Y

G

G

L

D

N

H

K

P

K

G

L

L

P

P

F

-

A

K

T

V

S

E

D

D

S

T

V

I

D

G

H

K

P

P

V

L

S

S

L

P

Y
|
Y

A

A

A

V

T

T

K
|
K

K

Y

A

V

N

N

E

E

L

L

M

Y

S

A

H

D

S

V

Y

F

A

S

H

R

L

C

Y

Y

G

G

V

F

P

S

C

T

T

I

G

G

L

L

R

R

F
x
Y

F

F

T
x
N

V
|
V

Y

F

G

G

P

R

W

R

G

Q

R

D

P

P

D
x
N

M

G

A

A

P

Y

M

A

L
x
A

-
x
V

-

I

-

P

-

K

F
x
W

A

T

R

S

A

S

I

M

M

I

A

Q

G

G

E

D

P

D

I

V

K
x
Y

V
x
I

F
x
N

N

G

Q

D

G

G

D

E

M

T

S

S

R
|
R

D

D

F

F

T

C

F

Y

I

I

D

E

D

N

I

T

I

V

E

Q

G

A

V

N

I

L

G

-

V

-

L

-

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

L

G

A

S

A

S

T

S

A

E

G

S

L

S

D

A

A

P

R

Y

N

R

Q

V

V

L

Y

N

N

I

I

G

A

H

V

G

G

S

G

P

R

V

T

S

S

L
|
L

M

N

H

Q

F

L

I

F

E

F

T

A

L

L

E

R

N

D

A

G

L

L

G

A

R

E

K

N

A

G

I

V

K

S

Q

Y

-

H

-

R

-

E

-

P

-

V

F

Y

L

R

P

D

M

F

Q
x
R

D

E

G

G

D
|
D

V

V

K

R

A

H

T
x
S

W

L

A

A

D

D

T

I

E

S

D

K

L

A

F

A

A

K

I

L

T

L

G

G

V

Y

R

A

P

P

K

K

V

Y

G

D

I

V

E

S

Q

A

G

G

V

V

K

A

A

L

F

A

A

M

D

P

W

W

Y

Y

L

I

N

M

Y

F

active site: S142 (= S127), S143 (= S128), S144 (= S129), Y166 (= Y152), K170 (= K156), N204 (≠ D190)
binding nicotinamide-adenine-dinucleotide: G23 (= G7), G26 (= G10), F27 (= F11), I28 (= I12), D47 (= D31), N48 (= N32), F49 (≠ L33), T51 (≠ D35), G52 (≠ Y36), D78 (≠ E61), I79 (≠ L62), Q98 (≠ L83), A100 (= A85), T117 (≠ A102), A140 (= A125), A141 (≠ S126), Y166 (= Y152), K170 (= K156), Y193 (≠ F179), N195 (≠ T181), V196 (= V182)
binding uridine-diphosphate-n-acetylgalactosamine: S103 (≠ G88), S142 (= S127), S143 (= S128), S144 (= S129), Y166 (= Y152), N195 (≠ T181), A209 (≠ L195), V210 (vs. gap), W214 (≠ F196), Y225 (≠ K207), I226 (≠ V208), N227 (≠ F209), R234 (= R216), L271 (= L269), R299 (≠ Q292), D302 (= D295), S306 (≠ T299)

1sb9A Crystal structure of pseudomonas aeruginosa udp-n-acetylglucosamine 4- epimerase complexed with udp-glucose (see paper)
27% identity, 99% coverage: 4:332/334 of query aligns to 19:338/340 of 1sb9A

query
sites
1sb9A

L

L

V

I

T

T

G
|
G

A

V

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

N

A

L

C

L

K

E

R

T

L

L

S

K

Q

L

G

D

H

Q

Q

K

V

V

H

V

G

G

I

L

D
|
D

N
|
N

L
x
F

N

A

D
x
T

Y
x
G

Y

H

D

Q

V

R

S

N

L

L

K

D

Q

E

A

V

R

R

-

S

L

L

A

V

A

S

L

E

A

K

S

Q

H

W

P

S

H

N

F

F

Q

K

F

F

Q

I

R

Q

M

G

E
x
D

L
x
I

A

R

D

N

R

L

G

D

A

D

I

C

A

N

T

N

L

A

F

C

S

A

T

G

I

V

K

-

P

-

D

D

W

Y

V

V

L

L

H

H

L
x
Q

G

A

A
|
A

Q

L

A

G

G

S

V

V

R

P

Y

R

S

S

I

I

D

N

N

D

P

P

H

I

A

T

Y

S

A

N

D

A

A
x
T

N

N

L

I

V

D

G

G

H

F

L

L

N

N

I

M

L

L

E

I

G

A

C

A

R

R

Q

D

T

A

G

K

V

V

K

Q

H

S

L

F

V

T

Y

Y

A
|
A

S
x
A

S
|
S

V

T

Y

Y

G

G

L

D

N

H

K

P

K

G

L

L

P

P

F

-

A

K

T

V

S

E

D

D

S

T

V

I

D

G

H

K

P

P

V

L

S

S

L

P

Y
|
Y

A

A

A

V

T

T

K
|
K

K

Y

A

V

N

N

E

E

L

L

M

Y

S

A

H

D

S

V

Y

F

A

S

H

R

L

C

Y

Y

G

G

V

F

P

S

C

T

T

I

G

G

L

L

R

R

F
x
Y

F

F

T
x
N

V
|
V

Y

F

G

G

P

R

W

R

G

Q

R

D

P

P

D
x
N

M

G

A

A

P

Y

M

A

L
x
A

-
x
V

-

I

-

P

-

K

F
x
W

A

T

R

S

A

S

I

M

M

I

A

Q

G

G

E

D

P

D

I

V

K
x
Y

V
x
I

F
x
N

N

G

Q

D

G

G

D

E

M

T

S

S

R

R

D

D

F

F

T

C

F

Y

I

I

D

E

D

N

I

T

I

V

E

Q

G

A

V

N

I

L

G

-

V

-

L

-

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

L

G

A

S

A

S

T

S

A

E

G

S

L

S

D

A

A

P

R

Y

N

R

Q

V

V

L

Y

N

N

I

I

G

A

H

V

G

G

S

G

P

R

V

T

S

S

L
|
L

M

N

H

Q

F

L

I

F

E

F

T

A

L

L

E

R

N

D

A

G

L

L

G

A

R

E

K

N

A

G

I

V

K

S

Q

Y

-

H

-

R

-

E

-

P

-

V

F

Y

L

R

P

D

M

F

Q
x
R

D

E

G

G

D
|
D

V

V

K

R

A

H

T

S

W

L

A

A

D

D

T

I

E

S

D

K

L

A

F

A

A

K

I

L

T

L

G

G

V

Y

R

A

P

P

K

K

V

Y

G

D

I

V

E

S

Q

A

G

G

V

V

K

A

A

L

F

A

A

M

D

P

W

W

Y

Y

L

I

N

M

Y

F

active site: S141 (= S127), S142 (= S128), S143 (= S129), Y165 (= Y152), K169 (= K156), N203 (≠ D190)
binding nicotinamide-adenine-dinucleotide: G22 (= G7), G25 (= G10), F26 (= F11), I27 (= I12), D46 (= D31), N47 (= N32), F48 (≠ L33), T50 (≠ D35), G51 (≠ Y36), D77 (≠ E61), I78 (≠ L62), Q97 (≠ L83), A99 (= A85), T116 (≠ A102), A139 (= A125), A140 (≠ S126), Y165 (= Y152), K169 (= K156), Y192 (≠ F179), N194 (≠ T181), V195 (= V182)
binding uridine-5'-diphosphate-glucose: S141 (= S127), Y165 (= Y152), N194 (≠ T181), A208 (≠ L195), V209 (vs. gap), W213 (≠ F196), Y224 (≠ K207), I225 (≠ V208), N226 (≠ F209), L270 (= L269), R298 (≠ Q292), D301 (= D295)

6kv9A Moee5 in complex with udp-glucuronic acid and NAD (see paper)
31% identity, 98% coverage: 3:328/334 of query aligns to 3:294/299 of 6kv9A

query
sites
6kv9A

I

V

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

H

A

L

C

V

K

T

R

E

L

L

L

R

S

N

Q

S

G

G

H

R

Q

N

V

V

H

V

G

A

I

V

D
|
D

N
x
R

L
x
R

N

P

D

L

Y

P

Y

D

D

T

V

G

S

S

L

L

K

R

Q

E

A

I

R

R

L

-

A

-

L

-

A

-

S

-

H

-

P

-

H

-

F

G

Q
x
D

F
x
L

Q

N

R

S

M

L

E

N

L

L

A

V

D

D

-

C

R

L

G

K

A

N

I

I

A

S

T

T

L

V

F

F

S

-

T

-

I

-

K

-

P

-

D

-

W

-

V

-

L

-

H

H

L
|
L

G
x
A

A
|
A

Q

L

A
x
P

G

G

V

V

R
|
R

Y

P

S

S

I

W

D

T

N

Q

P

F

H

P

A

E

Y

Y

A

L

D

R

A
x
C

N

N

L

V

V

L

G

A

H

T

L

Q

N

R

I

L

L

M

E

E

G

A

C

C

R

V

Q

Q

T

A

G

G

V

V

K

E

H

R

L

V

V

V

Y

V

A
|
A

S
|
S

V

V

Y

Y

G

G

L

G

N

A

K

D

K

G

L

V

P

-

F

-

A

M

T

S

S

E

D

D

S

D

V

L

D

P

H

R

P

P

V

L

S

S

L

P

Y
|
Y

A

G

A

V

T

T

K
|
K

K

L

A

A

N

A

E

E

L

R

M

L

S

A

H

L

S

A

Y

F

A

A

H

A

L

R

Y

G

G

D

V

A

P

E

C

L

T

S

-

V

-

G

G

A

L

L

R

R

F
|
F

F

F

T
|
T

V
|
V

Y

Y

G

G

P

P

W

G

G

Q

R
|
R

P

P

D

D

M
|
M

A
x
F

P

I

M

S

L
x
R

F

L

A

I

R

R

A

A

I

T

M

L

A

R

G

G

E

E

P

P

I

V

K
x
E

V
x
I

F
x
Y

N

G

Q

D

G

G

D

T

M
x
Q

S

L

R
|
R

D

D

F

F

T

T

F

H

I

V

D

S

D

D

I

V

E

R

G

A

V

L

I

M

G

-

V

-

L

-

P

-

L

L

P

T

P

A

S

S

T

V

S

R

S

D

Q

R

W

G

S

S

V

A

E

-

S

-

G

-

S

-

E

-

S

-

A

-

P

-

Y

-

R

-

V

V

L

L

N

N

I

I

G

G

H

T

G

G

S

S

P

A

V

V

S

S

L
x
V

M

N

H

E

F

V

I

V

E

S

T

M

L

T

E

A

N

E

A

L

L

T

G

G

R

L

K

R

A

P

I

C

K

T

Q

A

F

Y

L

G

P

S

M

A

Q

R

D

I

G

G

D
|
D

V

V

K

R

A

S

T

T

W

T

A

A

D

D

T

V

E

R

D

Q

L

A

F

Q

A

S

I

V

T

L

G

G

V

F

R

T

P

A

K

R

V

T

G

G

I

L

E

R

Q

E

G

G

V

L

K

A

A

T

F

Q

A

I

D

E

W

W

active site: S110 (= S127), S111 (= S128), S112 (= S129), Y133 (= Y152), K137 (= K156)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D31 (= D31), R32 (≠ N32), R33 (≠ L33), D47 (≠ Q56), L48 (≠ F57), L66 (= L83), A67 (≠ G84), A68 (= A85), P70 (≠ A87), C85 (≠ A102), A108 (= A125), S109 (= S126), K137 (= K156), F162 (= F179), T164 (= T181), V165 (= V182), R171 (= R188), M174 (= M191)
binding uridine-5'-diphosphate-glucuronic acid: P70 (≠ A87), R73 (= R90), S110 (= S127), S111 (= S128), Y133 (= Y152), T164 (= T181), R171 (= R188), M174 (= M191), F175 (≠ A192), R178 (≠ L195), E190 (≠ K207), I191 (≠ V208), Y192 (≠ F209), Q197 (≠ M214), R199 (= R216), V235 (≠ L269), D261 (= D295)

6pmhA Structure of epimerase mth375 from the thermophilic pseudomurein- containing methanogen methanothermobacter thermautotrophicus
27% identity, 98% coverage: 3:329/334 of query aligns to 12:317/330 of 6pmhA

query
sites
6pmhA

I

V

L

L

V

V

T

T

G
|
G

A

G

A

A

G
|
G

F

C

I

V

G

G

A

S

A

N

A

L

C

T

K

G

R

N

L

L

L

A

S

K

Q

A

G

G

H

A

Q

N

V

V

H

I

G

I

I

L

D
|
D

N
|
N

L

L

N
x
S

D
x
S

Y
x
S

Y

Y

D

E

V

W

S

N

L

I

K

P

Q

E

A

-

R

-

L

-

A

-

L

-

A

-

S

-

H

Y

P

E

H

N

F

I

Q

E

F

F

Q

V

R

K

M

G

E
x
D

L
x
I

A

L

D

D

R

D

G

E

A

V

I

L

A

K

T

R

L

V

F

F

S

K

T

E

I

-

K

R

P

P

D

D

W

Y

V

V

L

F

H

H

L

L

G
x
A

A

A

Q

H

A
x
F

G

A

V

N

R

Q

Y

N

S

S

I

V

D

D

N

N

P

P

H

E

A

K

Y

D

A

L

D

L

A

V

N

N

L

G

V

L

G

G

H

I

L

L

N

K

I

V

L

L

E

E

G

Y

C

A

R

Q

Q

L

T

V

G

G

V

V

K

E

H

R

L

F

V

V

Y

Y

A

S

S

S

S
|
S

-

G

S
x
C

S
x
G

V

V

Y

Y

G

G

L

L

N

D

K

S

K

K

L

I

P

P

F

F

A

E

T

E

S

H

D

D

S

I

V

S

D

I

H

S

P

L

V

H

S

T

L

P

Y
|
Y

A

Q

A

V

T

T

K
|
K

K

L

A

L

N

G

E

E

L

L

M

Y

S

T

H

N

S

Y

Y

F

A

H

H

N

L

L

Y

Y

G

E

V

M

P

P

C

I

T

V

G

N

L

A

R

R

F

F

T
x
N

V

V

Y

F

G

G

P

P

W

G

G

E

R

V

P

P

-

G

-

K

-

Y

-
x
R

D
x
N

M
x
V

A

I

P

P

M

N

L
x
F

F

F

A

Y

R

W

A

A

I

-

M

M

A

N

G

Q

E

Q

P

P

I

L

K
x
P

V
x
I

F
x
T

N

G

Q

D

G

G

D

S

M

E

S

T

R
|
R

D

D

F

W

T

T

F

F

I

V

D

E

D

D

I

I

I

V

E

R

G

G

V

L

I

M

G

A

V

M

L

-

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

G

S

V

S

R

E

E

S

A

S

I

A

G

P

-

Y

-

R

E

V

A

L

I

N

N

I

L

G

G

H

S

G

G

S

T

P

E

V

H

S

Q

L
x
V

M

I

H

E

F

M

I

A

E

G

T

I

L

I

E

N

N

E

A

L

L

T

G

E

R

N

K

P

A

A

I

G

K

V

Q

V

F

Y

L

R

P

P

M

R

Q
x
R

D

D

G

W

D

D

V

A

K

K

A

T

T

R

W

L

A

L

D

S

T

S

E

I

D

D

-

K

L

A

F

R

A

R

I

L

T

L

G

D

V

Y

R

E

P

P

K

Q

V

V

G

S

I

F

E

R

Q

E

G

G

V

L

K

E

A

R

F

T

A

H

D

R

W

W

Y

F

active site: S127 (= S127), C129 (≠ S128), G130 (≠ S129), Y153 (= Y152), K157 (= K156)
binding adenosine monophosphate: G16 (= G7), G19 (= G10), D40 (= D31), N41 (= N32), S43 (≠ N34), S44 (≠ D35), S45 (≠ Y36), D62 (≠ E61), I63 (≠ L62), A84 (≠ G84), F87 (≠ A87), R194 (vs. gap)
binding uridine-5'-diphosphate: C129 (≠ S128), N182 (≠ T181), N195 (≠ D190), V196 (≠ M191), F200 (≠ L195), P211 (≠ K207), I212 (≠ V208), T213 (≠ F209), R220 (= R216), V256 (≠ L269), R279 (≠ Q292)

6pnlA Structure of epimerase mth375 from the thermophilic pseudomurein- containing methanogen methanothermobacter thermautotrophicus
27% identity, 98% coverage: 3:329/334 of query aligns to 18:323/336 of 6pnlA

query
sites
6pnlA

I

V

L

L

V

V

T

T

G
|
G

A

G

A

A

G
|
G

F
x
C

I

V

G

G

A

S

A

N

A

L

C

T

K

G

R

N

L

L

L

A

S

K

Q

A

G

G

H

A

Q

N

V

V

H

I

G

I

I

L

D
|
D

N
|
N

L
|
L

N
x
S

D
x
S

Y
x
S

Y

Y

D

E

V

W

S

N

L

I

K

P

Q

E

A

-

R

-

L

-

A

-

L

-

A

-

S

-

H

Y

P

E

H

N

F

I

Q

E

F

F

Q

V

R

K

M

G

E
x
D

L
x
I

A

L

D

D

R

D

G

E

A

V

I

L

A

K

T

R

L

V

F

F

S

K

T

E

I

-

K

R

P

P

D

D

W

Y

V

V

L

F

H

H

L
|
L

G

A

A
|
A

Q

H

A
x
F

G

A

V

N

R

Q

Y

N

S

S

I

V

D

D

N

N

P

P

H

E

A

K

Y

D

A

L

D

L

A
x
V

N

N

L

G

V

L

G

G

H

I

L

L

N

K

I

V

L

L

E

E

G

Y

C

A

R

Q

Q

L

T

V

G

G

V

V

K

E

H

R

L

F

V

V

Y

Y

A
x
S

S

S

S
|
S

-

G

S
x
C

S
x
G

V

V

Y

Y

G

G

L

L

N

D

K

S

K

K

L

I

P

P

F

F

A

E

T

E

S

H

D

D

S

I

V

S

D

I

H

S

P

L

V

H

S

T

L

P

Y
|
Y

A

Q

A

V

T

T

K
|
K

K

L

A

L

N

G

E

E

L

L

M

Y

S

T

H

N

S

Y

Y

F

A

H

H

N

L

L

Y

Y

G

E

V

M

P

P

C

I

T

V

G

N

L

A

R

R

F
|
F

F

F

T
x
N

V
|
V

Y

F

G

G

P

P

W

G

G

E

R

V

P

P

-

G

-

K

-

Y

-
x
R

D
x
N

M
x
V

A

I

P

P

M

N

L
x
F

F

F

A

Y

R

W

A

A

I

-

M

M

A

N

G

Q

E

Q

P

P

I

L

K
x
P

V
x
I

F
x
T

N

G

Q

D

G

G

D

S

M

E

S

T

R
|
R

D

D

F

W

T

T

F

F

I

V

D

E

D

D

I

I

I

V

E

R

G

G

V

L

I

M

G

A

V

M

L

-

P

-

L

-

P

-

S

-

T

-

S

-

Q

-

W

-

S

-

V

-

E

-

S

-

G

G

S

V

S

R

E

E

S

A

S

I

A

G

P

-

Y

-

R

E

V

A

L

I

N

N

I

L

G

G

H

S

G

G

S

T

P

E

V

H

S

Q

L
x
V

M

I

H

E

F

M

I

A

E

G

T

I

L

I

E

N

N

E

A

L

L

T

G

E

R

N

K

P

A

A

I

G

K

V

Q

V

F

Y

L

R

P

P

M

R

Q
x
R

D

D

G

W

D

D

V

A

K

K

A

T

T

R

W

L

A

L

D

S

T

S

E

I

D

D

-

K

L

A

F

R

A

R

I

L

T

L

G

D

V

Y

R

E

P

P

K

Q

V

V

G

S

I

F

E

R

Q

E

G

G

V

L

K

E

A

R

F

T

A

H

D

R

W

W

Y

F

active site: S133 (= S127), C135 (≠ S128), G136 (≠ S129), Y159 (= Y152), K163 (= K156)
binding nicotinamide-adenine-dinucleotide: G22 (= G7), G25 (= G10), C26 (≠ F11), D46 (= D31), N47 (= N32), L48 (= L33), S49 (≠ N34), S50 (≠ D35), S51 (≠ Y36), D68 (≠ E61), I69 (≠ L62), L89 (= L83), A91 (= A85), F93 (≠ A87), V108 (≠ A102), S131 (≠ A125), S133 (= S127), Y159 (= Y152), K163 (= K156), F186 (= F179), N188 (≠ T181), V189 (= V182), R200 (vs. gap)
binding uridine-5'-diphosphate: N188 (≠ T181), N201 (≠ D190), V202 (≠ M191), F206 (≠ L195), P217 (≠ K207), I218 (≠ V208), T219 (≠ F209), R226 (= R216), V262 (≠ L269), R285 (≠ Q292)

6kvcA Moee5 in complex with udp-glucose and NAD (see paper)
31% identity, 98% coverage: 3:328/334 of query aligns to 3:293/299 of 6kvcA

query
sites
6kvcA

I

V

L

L

V

V

T

T

G
|
G

A

A

G
|
G

F
|
F

I
|
I

G

G

A

S

A

H

A

L

C

V

K

T

R

E

L

L

L

R

S

N

Q

S

G

G

H

R

Q

N

V

V

H

V

G

A

I

V

D
|
D

N
x
R

L

-

N
x
R

D

P

Y

L

Y

P

D

T

V

G

S

S

L

L

K

R

Q

E

A

I

R

R

L

-

A

-

L

-

A

-

S

-

H

-

P

-

H

-

F

G

Q
x
D

F
x
L

Q

N

R

S

M

L

E

N

L

L

A

V

D

D

-

C

R

L

G

K

A

N

I

I

A

S

T

T

L

V

F

F

S

-

T

-

I

-

K

-

P

-

D

-

W

-

V

-

L

-

H

H

L
|
L

G
x
A

A
|
A

Q

L

A
x
P

G

G

V

V

R
|
R

Y

P

S

S

I

W

D

T

N

Q

P

F

H

P

A

E

Y

Y

A

L

D

R

A

C

N

N

L

V

V

L

G

A

H

T

L

Q

N

R

I

L

L

M

E

E

G

A

C

C

R

V

Q

Q

T

A

G

G

V

V

K

E

H

R

L

V

V

V

Y

V

A
|
A

S

S

S
|
S

V

V

Y

Y

G

G

L

G

N

A

K

D

K

G

L

V

P

-

F

-

A

M

T

S

S

E

D

D

S

D

V

L

D

P

H

R

P

P

V

L

S

S

L

P

Y
|
Y

A

G

A

V

T

T

K
|
K

K

L

A

A

N

A

E

E

L

R

M

L

S

A

H

L

S

A

Y

F

A

A

H

A

L

R

Y

G

G

D

V

A

P

E

C

L

T

S

-

V

-

G

G

A

L

L

R

R

F
|
F

F

F

T
|
T

V
|
V

Y

Y

G

G

P

P

W

G

G

Q

R
|
R

P

P

D

D

M
|
M

A
x
F

P

I

M

S

L
x
R

F

L

A

I

R

R

A

A

I

T

M

L

A

R

G

G

E

E

P

P

I

V

K
x
E

V
x
I

F
x
Y

N

G

Q

D

G

G

D

T

M
x
Q

S

L

R
|
R

D

D

F

F

T

T

F

H

I

V

D

S

D

D

I

V

E

R

G

A

V

L

I

M

G

-

V

-

L

-

P

-

L

L

P

T

P

A

S

S

T

V

S

R

S

D

Q

R

W

G

S

S

V

A

E

-

S

-

G

-

S

-

E

-

S

-

A

-

P

-

Y

-

R

-

V

V

L

L

N

N

I

I

G

G

H

T

G

G

S

S

P

A

V

V

S

S

L

V

M

N

H

E

F

V

I

V

E

S

T

M

L

T

E

A

N

E

A

L

L

T

G

G

R

L

K

R

A

P

I

C

K

T

Q

A

F

Y

L

G

P

S

M

A

Q

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active site: S109 (= S127), S110 (= S128), S111 (= S129), Y132 (= Y152), K136 (= K156)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), G10 (= G10), F11 (= F11), I12 (= I12), D31 (= D31), R32 (≠ N32), R33 (≠ N34), D46 (≠ Q56), L47 (≠ F57), L65 (= L83), A66 (≠ G84), A67 (= A85), P69 (≠ A87), A107 (= A125), S109 (= S127), K136 (= K156), F161 (= F179), T163 (= T181), V164 (= V182), R170 (= R188), M173 (= M191)
binding uridine-5'-diphosphate-glucose: P69 (≠ A87), R72 (= R90), S109 (= S127), S110 (= S128), Y132 (= Y152), T163 (= T181), M173 (= M191), F174 (≠ A192), R177 (≠ L195), E189 (≠ K207), I190 (≠ V208), Y191 (≠ F209), Q196 (≠ M214), R198 (= R216), D260 (= D295)

Query Sequence

>6938114 Sama_2235 NAD dependent epimerase/dehydratase family protein (RefSeq)
MKILVTGAAGFIGAAACKRLLSQGHQVHGIDNLNDYYDVSLKQARLAALASHPHFQFQRM
ELADRGAIATLFSTIKPDWVLHLGAQAGVRYSIDNPHAYADANLVGHLNILEGCRQTGVK
HLVYASSSSVYGLNKKLPFATSDSVDHPVSLYAATKKANELMSHSYAHLYGVPCTGLRFF
TVYGPWGRPDMAPMLFARAIMAGEPIKVFNQGDMSRDFTFIDDIIEGVIGVLPLPPSTSS
QWSVESGSSSESSAPYRVLNIGHGSPVSLMHFIETLENALGRKAIKQFLPMQDGDVKATW
ADTEDLFAITGVRPKVGIEQGVKAFADWYLNYYH

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