SitesBLAST

B3TMR8 dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose 3-reductase; 3-ketoreductase; NADPH-dependent C3-ketoreductase; EC 1.1.1.384 from Actinomadura kijaniata (see paper)
34% identity, 99% coverage: 3:327/328 of query aligns to 8:327/332 of B3TMR8

query
sites
B3TMR8

T

N

P

P

L

I

R

R

W

V

G

G

I

V

L

I

G

G

A
x
C

A
|
A

K
x
D

F
x
I

A
|
A

R
x
W

E
x
R

Q

R

M

A

G

L

P

P

A

A

I

L

H

E

A

A

A

E

R

P

G

L

A

T

T

E

L

V

A

T

A

A

L

I

A

A

S
|
S

R
|
R

D

R

A

W

A

D

K

R

A

A

A

K

P

R

F

F

R

T

A

E

F

R

A

F

P

G

G

G

L

E

R

P

V

V

H

E

T

G

D

-

Y
|
Y

D

P

A

A

L

L

A

E

D

R

P

D

E

D

V

V

D

D

A

A

V

V

Y

Y

I

V

P

P

L
|
L

P

P

H

A

P

V

M

L

H
|
H

V

A

P

E

W

W

A

I

M

D

K

R

A

A

L

L

E

R

A

A

G

G

K

K

H

H

V

V

L

L

A

A

E

E

K
|
K

P

P

L

L

A

T

M

T

T

D

A

R

A

P

E

Q

I

A

D

E

P

R

L

L

I

F

S

A

R

V

R

A

N

R

A

E

T

R

G

G

L

L

H

L

C

L

A

M

E

E

A

N

Y

F

M

M

I

F

V

L

H

H

P

P

Q

Q

W

H

Q

R

R

Q

A

V

R

A

A

D

L

M

L

L

R

D

E

E

G

G

A

V

I

I

G

G

R

E

L

I

V

R

H

S

V

F

A

A

G

A

I

S

F

F

T

T

Y

I

D

P

N

P

R

K

A

P

D

Q

P

-

G

G

N

D

I

I

R
|
R

N

Y

A

Q

A

A

D

D

Q

V

G

G

G

A

I

L

P

L

D
|
D

I

I

G

G

V

V

Y
|
Y

T

P

Y

I

G

R

C

A

T

A

R

G

W

L

M

F

T

L

E

G

A

A

E

D

P

L

E

E

A

F

I

V

T

G

H

-

A

A

D

V

I

L

T

R

W

H

E

E

N

R

G

D

V

R

D

D

T

V

I

V

A

V

R

G

V

G

S

N

A

A

R

L

F

L

-

T

-

R

P

Q

G

G

F

V

T

T

A

A

H

Q

W

L

V

T

N

F

S

G

M

M

R

E

M

H

A

A

P

Y

F

T

Q

N

D

N

M

Y

V

E

F

F

H

R

G

G

E

S

T

T

G

G

V

R

L

L

R

W

L

M

T

N

A

R

P

V

F

F

N

T

A

P

Q

P

V

A

F

T

G

Y

E

Q

A

P

R

V

V

V

E

H

L

I

H

E

R

R

P

-

G

-

G

Q

D

D

H

H

T

A

V

-

T

-

V

-

E

E

R

Q

F

F

-

V

-

L

P

P

A

A

A

H

N

D

Q

Q

Y

F

V

A

A

K

Q

S

V

I

E

R

A

A

F

F

G

A

R

Q

T

A

V

V

R

L

E

S

G

G

A

-

E

E

Y

H

P

P

-

R

-

E

W

W

S

S

L

-

E

E

D

D

A

S

R

L

G

R

T

Q

Q

A

A

S

M

L

I

V

D

D

A

A

V

V

Y

R

A

T

A

G

A

A

K

R

17:23 (vs. 12:18, 29% identical) binding
SR 42:43 (= SR 37:38) binding
Y63 (= Y59) binding
L79 (= L75) binding
H84 (= H80) binding
K102 (= K98) active site, Proton donor; mutation K->A,M,Q: Loss of reductase activity.; mutation to E: Retains some activity, but the catalytic efficiency is strongly reduced.
R170 (= R167) binding
D182 (= D179) binding
Y186 (= Y183) mutation to F: Same affinity for dTDP-glucose and NADPH compared to the wild-type. Small reduction of the catalytic efficiency resulting from the conformational flexibility of the nicotinamide ring.

1h6dA Oxidized precursor form of glucose-fructose oxidoreductase from zymomonas mobilis complexed with glycerol (see paper)
28% identity, 98% coverage: 7:327/328 of query aligns to 36:366/383 of 1h6dA

query
sites
1h6dA

W

Y

G

A

I

I

L

V

G
|
G

A
x
L

A
x
G

K
|
K

F
x
Y

A

A

R

L

E

N

Q

Q

M

I

G

L

P

P

A

G

I

F

H

A

A

G

A

C

R

Q

G

H

A

S

T

R

L

I

A

E

A

A

L

L

A

V

S
|
S

R
x
G

D

N

A

A

A

E

K
|
K

A

A

-

K

-

I

-

V

-

A

A

A

P

E

F

Y

R

G

A

V

F

D

A

P

P

R

G

K

L

I

R

Y

V

D

H
x
Y

T

S

D

N

Y

F

D

D

A

K

L

I

L

A

A

K

D

D

P

P

E

K

V

I

D

D

A

A

V

V

Y

Y

I

I

P
x
I

L
|
L

P
|
P

H
x
N

P

S

M

L

H
|
H

V

A

P

E

W

F

A

A

M

I

K

R

A

A

L

F

E

K

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

T

T

S

A

V

A

A

E

D

I

C

D

Q

P

R

L

M

I

I

S

D

R

A

N

K

A

A

T

A

G

N

L

K

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

C

V

H

H

Y

H

D

P

P

Q

M

W

N

Q

R

R

A

A

A

R

V

A

K

L

L

L

I

R

R

E

E

G

N

A

Q

I

L

G

G

R

K

L

L

V

-

H

-

V

-

A

-

G

G

I

M

F

V

T

T

Y

T

D

D

N

N

R

-

A

S

D

D

P

V

G

M

N

D

I

Q

R

N

N

D

A

P

A
|
A

D

Q

Q

Q

-
x
W

-
x
R

-

L

-

R

-

E

-

L

-

A

G

G

G

S

I

L

P

M

D
|
D

I

I

G

G

V

I

Y
|
Y

T

G

Y

L

G

N

C

G

T

T

R

R

W

Y

M

L

T

L

E

G

A

E

E

E

P

P

-

I

-

E

-

V

E

R

A

A

I

Y

T

T

H

Y

A

S

D

D

I

P

T

N

W

D

E

E

N

R

G

F

V

V

D

E

T

V

I

E

A

D

R

R

V

I

-

I

-

W

S

Q

A

M

R

R

F

F

-

R

P

S

G

G

F

A

T

L

A

S

H

H

W

G

V

A

N

S

S

S

M

Y

R

S

M

T

A

T

P

T

F

T

Q

S

D

R

M

F

V

S

F

V

H

Q

G

G

E

D

T

K

G

A

V

V

L

L

R

-

L

L

T

M

A

D

P

P

F

-

N

-

A

A

Q

T

V

G

F
x
Y

G

Y

E

Q

A

N

R

L

V

I

E

S

L

V

H

Q

R

T

P

P

G

G

G

H

G

A

G

N

D

Q

H

S

T

M

V

M

T

P

V

Q

E

F

R

I

F

M

P

P

A

A

A

N

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

A

R

E

T

A

V

V

R

I

E

N

G

N

A

K

E

P

Y

V

P

R

W

S

S

P

L

G

E

E

D

E

A

G

R

M

G

Q

T

D

Q

V

A

R

M

L

I

I

D

Q

A

A

V

I

Y

Y

A

E

A

A

K

R

active site: K131 (= K98), Y219 (= Y183)
binding glycerol: K131 (= K98), R202 (vs. gap), D215 (= D179), Y219 (= Y183)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G40 (= G11), L41 (≠ A12), G42 (≠ A13), K43 (= K14), Y44 (≠ F15), S66 (= S37), G67 (≠ R38), K71 (= K42), Y89 (≠ H56), I107 (≠ P74), L108 (= L75), P109 (= P76), N110 (≠ H77), H113 (= H80), E130 (= E97), K131 (= K98), R159 (≠ M126), A198 (= A170), W201 (vs. gap), R202 (vs. gap), Y219 (= Y183), Y298 (≠ F259)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 17, 18, 19

1rydA Crystal structure of glucose-fructose oxidoreductase from zymomonas mobilis
28% identity, 98% coverage: 7:327/328 of query aligns to 34:364/381 of 1rydA

query
sites
1rydA

W

Y

G

A

I

I

L

V

G

G

A
x
L

A
x
G

K
|
K

F
x
Y

A

A

R

L

E

N

Q

Q

M

I

G

L

P

P

A

G

I

F

H

A

A

G

A

C

R

Q

G

H

A

S

T

R

L

I

A

E

A

A

L

L

A

V

S
|
S

R
x
G

D

N

A

A

A

E

K
|
K

A

A

-

K

-

I

-

V

-

A

A

A

P

E

F

Y

R

G

A

V

F

D

A

P

P

R

G

K

L

I

R

Y

V

D

H
x
Y

T

S

D

N

Y

F

D

D

A

K

L

I

L

A

A

K

D

D

P

P

E

K

V

I

D

D

A

A

V

V

Y

Y

I

I

P

I

L
|
L

P
|
P

H
x
N

P

S

M
x
L

H
|
H

V

A

P

E

W

F

A

A

M

I

K

R

A

A

L

F

E

K

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

T

T

S

A

V

A

A

E

D

I

C

D

Q

P

R

L

M

I

I

S

D

R

A

N

K

A

A

T

A

G

N

L

K

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

C

V

H

H

Y

H

D

P

P

Q

M

W

N

Q

R

R

A

A

A

R

V

A

K

L

L

L

I

R

R

E

E

G

N

A

Q

I

L

G

G

R

K

L

L

V

-

H

-

V

-

A

-

G

G

I

M

F

V

T

T

Y

T

D

D

N

N

R

-

A

S

D

D

P

V

G

M

N

D

I

Q

R

N

N

D

A

P

A
|
A

D

Q

Q

Q

-
x
W

-
x
R

-

L

-

R

-

E

-

L

-

A

G

G

G

S

I

L

P

M

D

D

I

I

G

G

V

I

Y
|
Y

T

G

Y

L

G

N

C

G

T

T

R

R

W

Y

M

L

T

L

E

G

A

E

E

E

P

P

-

I

-

E

-

V

E

R

A

A

I
x
Y

T

T

H

Y

A

S

D

D

I

P

T

N

W

D

E

E

N

R

G

F

V

V

D

E

T

V

I

E

A

D

R

R

V

I

-
x
I

-

W

S
x
Q

A

M

R

R

F

F

-

R

P

S

G

G

F

A

T

L

A

S

H

H

W

G

V

A

N

S

S

S

M

Y

R

S

M

T

A

T

P

T

F

T

Q

S

D

R

M

F

V

S

F

V

H

Q

G

G

E

D

T

K

G

A

V

V

L

L

R

-

L

L

T

M

A

D

P

P

F

-

N

-

A

A

Q

T

V

G

F
x
Y

G

Y

E

Q

A

N

R

L

V

I

E

S

L

V

H

Q

R

T

P

P

G

G

G

H

G

A

G

N

D

Q

H

S

T

M

V

M

T

P

V

Q

E

F

R

I

F

M

P

P

A

A

A

N

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

A

R

E

T

A

V

V

R

I

E

N

G

N

A

K

E

P

Y

V

P

R

W

S

S

P

L

G

E

E

D

E

A

G

R

M

G

Q

T

D

Q

V

A

R

M

L

I

I

D

Q

A

A

V

I

Y

Y

A

E

A

A

K

R

active site: K129 (= K98), Y217 (= Y183)
binding alpha-D-glucopyranose: Y236 (≠ I199), I254 (vs. gap), Q256 (≠ S217)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L39 (≠ A12), G40 (≠ A13), K41 (= K14), Y42 (≠ F15), S64 (= S37), G65 (≠ R38), K69 (= K42), Y87 (≠ H56), L106 (= L75), P107 (= P76), N108 (≠ H77), L110 (≠ M79), H111 (= H80), E128 (= E97), K129 (= K98), R157 (≠ M126), A196 (= A170), W199 (vs. gap), R200 (vs. gap), Y217 (= Y183), Y296 (≠ F259)

1evjA Crystal structure of glucose-fructose oxidoreductase (gfor) delta1-22 s64d (see paper)
28% identity, 98% coverage: 7:327/328 of query aligns to 5:323/340 of 1evjA

query
sites
1evjA

W

Y

G

A

I

I

L

V

G
|
G

A
x
L

A
x
G

K
|
K

F
x
Y

A

A

R

L

E

N

Q

Q

M

I

G

L

P

P

A

G

I

F

H

A

A

G

A

C

R

Q

G

H

A

S

T

R

L

I

A

E

A

A

L

L

A

V

S
x
D

R

G

D

N

A

A

A

E

K

K

A

A

-

K

-

I

-

V

-

A

A

A

P

E

F

Y

R

G

A

V

F

D

A

P

P

R

G

K

L

I

R

Y

V

D

H

Y

T

S

D

N

Y

F

D

D

A

K

L

I

L

A

A

K

D

D

P

P

E

K

V

I

D

D

A

A

V

V

Y

Y

I

I

P

I

L
|
L

P
|
P

H
x
N

P

S

M

L

H
|
H

V

A

P

E

W

F

A

A

M

I

K

R

A

A

L

F

E

K

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

T

T

S

A

V

A

A

E

D

I

C

D

Q

P

R

L

M

I

I

S

D

R

A

N

K

A

A

T

A

G

N

L

K

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

C

V

H

H

Y

H

D

P

P

Q

M

W

N

Q

R

R

A

A

A

R

V

A

K

L

L

L

I

R

R

E

E

G

N

A

Q

I

L

G

G

R

K

L

L

V

-

H

-

V

-

A

-

G

G

I

M

F

V

T

T

Y

T

D

D

N

N

R

-

A

S

D

D

P

V

G

M

N

D

I

Q

R

N

N

D

A

P

A

A

D

Q

Q

Q

-
x
W

-
x
R

-

L

-

R

-

E

-

L

-

A

G

G

G

S

I

L

P

M

D

D

I

I

G

G

V

I

Y
|
Y

T

G

Y

L

G

N

C

G

T

T

R

R

W

Y

M

L

T

L

E

G

A

E

E

E

P

P

-

I

-

E

-

V

E

R

A

A

I

Y

T

T

H

Y

A

S

D

D

I

P

T

N

W

D

E

E

N

R

G

F

V

V

D

E

T

V

I

E

A

D

R

R

V

I

-

I

-

W

S

Q

A

M

R

R

F

F

-

R

P

S

G

G

F

A

T

L

A

S

H

H

W

G

V

A

N

S

S

S

M

Y

R

S

M

T

A

T

P

T

F

T

Q

S

D

R

M

F

V

S

F

V

H

Q

G

G

E

D

T

K

G

A

V

V

L

L

R

-

L

L

T

M

A

D

P

P

F

-

N

-

A

A

Q

T

V

G

F
x
Y

G

Y

E

Q

A

N

R

L

V

I

E

S

L

V

H

Q

R

T

P

P

G

-

D

-

H

-

T

-

V

-

T

-

V

-

E

-

R

-

F

M

P

P

A

A

A

N

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

A

R

E

T

A

V

V

R

I

E

N

G

N

A

K

E

P

Y

V

P

R

W

S

S

P

L

G

E

E

D

E

A

G

R

M

G

Q

T

D

Q

V

A

R

M

L

I

I

D

Q

A

A

V

I

Y

Y

A

E

A

A

K

R

active site: K100 (= K98), Y188 (= Y183)
binding nicotinamide-adenine-dinucleotide: G9 (= G11), L10 (≠ A12), G11 (≠ A13), K12 (= K14), Y13 (≠ F15), D35 (≠ S37), L77 (= L75), P78 (= P76), N79 (≠ H77), H82 (= H80), E99 (= E97), K100 (= K98), R128 (≠ M126), W170 (vs. gap), R171 (vs. gap), Y188 (= Y183), Y267 (≠ F259)

5a06A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with sorbitol (see paper)
29% identity, 98% coverage: 5:327/328 of query aligns to 4:329/336 of 5a06A

query
sites
5a06A

L

L

R

G

W

Y

G

A

I

I

L

L

G

G

A
x
L

A
x
G

K
x
Y

F
x
Y

A

A

R

T

E

R

Q

I

M

I

G

M

P

P

A

R

I

F

H

A

A

E

A

C

R

E

G

H

A

S

T

R

L

L

A

A

L

L

A

V

S
|
S

R
x
G

D
x
T

A

P

A

E

K
|
K

A

L

A

K

P

T

F

Y

R

G

A

E

F

Q

A

Y

P

G

G

I

L

P

R

E

V

T

H

H

-

R

-

Y

-

S

-
x
Y

T

E

D

T

Y

F

D

D

A

R

L

I

A

D

D

N

P

P

E

D

V

V

D
|
D

A

I

V

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

H
x
N

P

S

M
x
L

H
|
H

V

R

P

P

W

F

A

T

M

E

K

R

A

A

L

A

E

R

A

A

G

G

K

K

H
|
H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

N

T

T

A

V

A

A

E

D

I

C

D

E

P

A

L

M

I

I

S

A

R

A

R

C

N

K

A

K

T

A

G

G

L
x
R

H

K

C
x
L

A

M

E

I

A

G

Y

Y

M
x
R

I

S

V

R

H

F

H

Q

P

A

Q

H

W

N

Q

I

R

E

A

A

R

I

A

K

L

L

L

V

R

R

E

D

G

G

A

A

I

L

G

G

-

P

-

V

R

R

L

T

V

V

H

V

V

T

A

D

G

H

I

G

F
|
F

T

T

Y

I

D

-

N

-

R

-

A

G

D

D

P

P

G

K

N

Q

I
x
W

R
|
R

-

L

N

N

A

R

A

A

D

L

Q

A

G

G

G

S

I

L

P

M

D
|
D

I

I

G

G

V

I

Y
|
Y

T

S

Y

L

G

N

C

A

T

A

R

R

W

Y

M

L

T

T

E

G

A

E

E

E

P

P

E

V

A

A

I

V

T

N

H

A

A

V

D

E

I

S

T

T

W

D

E

R

N

S

G

D

-

P

-

R

-

F

-

G

-

E

V

V

D

E

T

D

I

I

A

I

R

N

V

F

S

Q

A

L

R

L

F

F

P

P

-

S

G

G

F

A

T

T

A

A

H

N

W

C

V

V

N

S

S

A

M

Y

R

S

M

V

A

N

P

C

F

N

Q

R

D

Y

M

R

V

V

F

-

H

S

G

G

E

P

T

K

G

G

V

W

L

V

R

E

L

I

T

D

A

P

P

A

F

T

N

S

A
x
Y

Q

Q

V

-

F

-

G

G

E

Q

A

A

-

M

R

R

V

A

E

Q

L

L

H

G

R

G

P

P

G

-

D

-

H

-

T

-

V

-

T

P

V

A

E

P

R

R

F

E

P

P

A

A

-

P

-

Q

-

P

A
x
K

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A
x
H

F

L

G

S

R
x
E

T

C

V

I

R

L

E

T

G

G

A

R

E
|
E

Y

P

P

I

W

V

S
x
G

L
x
G

E

D

D

D

A

G

R

L

G

K

T

D

Q

L

A

R

M

V

I

I

D

E

A

A

V

I

Y

Y

A

R

A

A

K

R

active site: K101 (= K98), Y186 (= Y183)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L11 (≠ A12), G12 (≠ A13), Y13 (≠ K14), Y14 (≠ F15), S36 (= S37), G37 (≠ R38), T38 (≠ D39), K41 (= K42), Y59 (vs. gap), I77 (≠ P74), T78 (≠ L75), P79 (= P76), N80 (≠ H77), L82 (≠ M79), H83 (= H80), E100 (= E97), K101 (= K98), R129 (≠ M126), W168 (≠ I166), R169 (= R167), Y186 (= Y183), Y264 (≠ A256)
binding sorbitol: D72 (= D69), H96 (= H93), K101 (= K98), R122 (≠ L119), R122 (≠ L119), L124 (≠ C121), F160 (= F155), R169 (= R167), D182 (= D179), Y186 (= Y183), K287 (≠ A285), H296 (≠ A294), E299 (≠ R297), E306 (= E304), G310 (≠ S308), G311 (≠ L309)

Sites not aligning to the query:

binding sorbitol: 2

5a03C Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
29% identity, 98% coverage: 5:327/328 of query aligns to 4:329/336 of 5a03C

query
sites
5a03C

L

L

R

G

W

Y

G

A

I

I

L

L

G
|
G

A
x
L

A
x
G

K
x
Y

F
x
Y

A

A

R

T

E

R

Q

I

M

I

G

M

P

P

A

R

I

F

H

A

A

E

A

C

R

E

G

H

A

S

T

R

L

L

A

A

L

L

A

V

S
|
S

R
x
G

D
x
T

A

P

A

E

K
|
K

A

L

A

K

P

T

F

Y

R

G

A

E

F

Q

A

Y

P

G

G

I

L

P

R

E

V

T

H

H

-

R

-

Y

-

S

-
x
Y

T

E

D

T

Y

F

D

D

A

R

L

I

A

D

D

N

P

P

E

D

V

V

D

D

A

I

V

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

H
x
N

P

S

M
x
L

H
|
H

V

R

P

P

W

F

A

T

M

E

K

R

A

A

L

A

E

R

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

N

T

T

A

V

A

A

E

D

I

C

D

E

P

A

L

M

I

I

S

A

R

A

R

C

N

K

A

K

T

A

G

G

L

R

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

S

V

R

H

F

H

Q

P

A

Q

H

W

N

Q

I

R

E

A

A

R

I

A

K

L

L

L

V

R

R

E

D

G

G

A

A

I

L

G

G

-

P

-

V

R

R

L

T

V

V

H

V

V

T

A

D

G

H

I

G

F
|
F

T

T

Y

I

D

-

N

-

R

-

A

G

D

D

P

P

G

K

N

Q

I
x
W

R
|
R

-

L

N

N

A

R

A

A

D

L

Q

A

G

G

G

S

I

L

P

M

D
|
D

I

I

G

G

V

I

Y
|
Y

T

S

Y

L

G

N

C

A

T

A

R

R

W

Y

M

L

T

T

E

G

A

E

E

E

P

P

E

V

A

A

I

V

T

N

H

A

A

V

D

E

I

S

T

T

W

D

E

R

N

S

G

D

-

P

-

R

-

F

-

G

-

E

V

V

D

E

T

D

I

I

A

I

R

N

V

F

S

Q

A

L

R

L

F

F

P

P

-

S

G

G

F

A

T

T

A

A

H

N

W

C

V

V

N

S

S

A

M

Y

R

S

M

V

A

N

P

C

F

N

Q

R

D

Y

M

R

V

V

F

-

H

S

G

G

E

P

T

K

G

G

V

W

L

V

R

E

L

I

T

D

A

P

P

A

F

T

N

S

A
x
Y

Q

Q

V

-

F

-

G

G

E

Q

A

A

-

M

R

R

V

A

E

Q

L

L

H

G

R

G

P

P

G

-

D

-

H

-

T

-

V

-

T

P

V

A

E

P

R

R

F

E

P

P

A

A

-

P

-

Q

-

P

A

K

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

S

R

E

T

C

V

I

R

L

E

T

G

G

A

R

E

E

Y

P

P

I

W

V

S

G

L

G

E

D

D

D

A

G

R

L

G

K

T

D

Q

L

A

R

M

V

I

I

D

E

A

A

V

I

Y

Y

A

R

A

A

K

R

active site: K101 (= K98), Y186 (= Y183)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G10 (= G11), L11 (≠ A12), G12 (≠ A13), Y13 (≠ K14), Y14 (≠ F15), S36 (= S37), G37 (≠ R38), T38 (≠ D39), K41 (= K42), Y59 (vs. gap), I77 (≠ P74), T78 (≠ L75), P79 (= P76), N80 (≠ H77), L82 (≠ M79), H83 (= H80), E100 (= E97), K101 (= K98), R129 (≠ M126), W168 (≠ I166), R169 (= R167), Y186 (= Y183), Y264 (≠ A256)
binding beta-D-xylopyranose: K101 (= K98), F160 (= F155), R169 (= R167), D182 (= D179), Y186 (= Y183)

5a05A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with maltotriose (see paper)
29% identity, 98% coverage: 5:327/328 of query aligns to 3:328/335 of 5a05A

query
sites
5a05A

L

L

R

G

W

Y

G

A

I

I

L

L

G
|
G

A
x
L

A
x
G

K
x
Y

F
x
Y

A

A

R

T

E

R

Q

I

M

I

G

M

P

P

A

R

I

F

H

A

A

E

A

C

R

E

G

H

A

S

T

R

L

L

A

A

L

L

A

V

S
|
S

R
x
G

D
x
T

A

P

A

E

K
|
K

A

L

A

K

P

T

F

Y

R

G

A

E

F

Q

A

Y

P

G

G

I

L

P

R

E

V

T

H

H

-

R

-

Y

-

S

-
x
Y

T

E

D

T

Y

F

D

D

A

R

L

I

A

D

D

N

P

P

E

D

V

V

D

D

A

I

V

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

H
x
N

P

S

M
x
L

H
|
H

V

R

P

P

W

F

A

T

M

E

K

R

A

A

L

A

E

R

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

N

T

T

A

V

A

A

E

D

I

C

D

E

P

A

L

M

I

I

S

A

R

A

R

C

N

K

A

K

T

A

G

G

L

R

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

S

V

R

H

F

H

Q

P

A

Q

H

W

N

Q

I

R

E

A

A

R

I

A

K

L

L

L

V

R

R

E

D

G

G

A

A

I

L

G

G

-

P

-

V

R

R

L

T

V

V

H

V

V

T

A

D

G

H

I

G

F
|
F

T

T

Y

I

D

-

N

-

R

-

A

G

D

D

P

P

G

K

N

Q

I
x
W

R
|
R

-

L

N

N

A

R

A

A

D

L

Q

A

G

G

G

S

I

L

P

M

D
|
D

I

I

G

G

V

I

Y
|
Y

T

S

Y

L

G

N

C

A

T

A

R

R

W

Y

M

L

T

T

E

G

A

E

E

E

P

P

E

V

A

A

I

V

T

N

H

A

A

V

D

E

I

S

T

T

W

D

E

R

N

S

G

D

-

P

-

R

-

F

-

G

-

E

V

V

D

E

T

D

I

I

A

I

R

N

V

F

S

Q

A

L

R

L

F

F

P

P

-

S

G

G

F

A

T

T

A

A

H

N

W

C

V

V

N

S

S

A

M

Y

R

S

M

V

A

N

P

C

F

N

Q

R

D

Y

M

R

V

V

F

-

H

S

G

G

E

P

T

K

G

G

V

W

L

V

R

E

L

I

T

D

A
x
P

P

A

F

T

N
x
S

A
x
Y

Q

Q

V

-

F

-

G

G

E

Q

A

A

-

M

R

R

V

A

E

Q

L

L

H

G

R

G

P

P

G

-

D

-

H

-

T

-

V

-

T

P

V

A

E

P

R

R

F

E

P

P

A

A

-

P

-

Q

-

P

A

K

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

S

R

E

T

C

V

I

R

L

E

T

G

G

A

R

E

E

Y

P

P

I

W

V

S

G

L

G

E

D

D

D

A

G

R

L

G

K

T

D

Q

L

A

R

M

V

I

I

D

E

A

A

V

I

Y

Y

A

R

A

A

K

R

active site: K100 (= K98), Y185 (= Y183)
binding beta-D-glucopyranose: K100 (= K98), F159 (= F155), D181 (= D179), Y185 (= Y183)
binding alpha-D-glucopyranose: P259 (≠ A252), S262 (≠ N255)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G11), L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ F15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (= K42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), N79 (≠ H77), L81 (≠ M79), H82 (= H80), E99 (= E97), K100 (= K98), R128 (≠ M126), W167 (≠ I166), R168 (= R167), Y185 (= Y183), Y263 (≠ A256)

5a04A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glucose (see paper)
29% identity, 98% coverage: 5:327/328 of query aligns to 3:328/335 of 5a04A

query
sites
5a04A

L

L

R

G

W

Y

G

A

I

I

L

L

G

G

A
x
L

A
x
G

K
x
Y

F
x
Y

A

A

R

T

E

R

Q

I

M

I

G

M

P

P

A

R

I

F

H

A

A

E

A

C

R

E

G

H

A

S

T

R

L

L

A

A

L

L

A

V

S
|
S

R
x
G

D
x
T

A

P

A

E

K
|
K

A

L

A

K

P

T

F

Y

R

G

A

E

F

Q

A

Y

P

G

G

I

L

P

R

E

V

T

H

H

-

R

-

Y

-

S

-
x
Y

T

E

D

T

Y

F

D

D

A

R

L

I

A

D

D

N

P

P

E

D

V

V

D

D

A

I

V

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

H
x
N

P

S

M
x
L

H
|
H

V

R

P

P

W

F

A

T

M

E

K

R

A

A

L

A

E

R

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

N

T

T

A

V

A

A

E

D

I

C

D

E

P

A

L

M

I

I

S

A

R

A

R

C

N

K

A

K

T

A

G

G

L

R

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

S

V

R

H

F

H

Q

P

A

Q

H

W

N

Q

I

R

E

A

A

R

I

A

K

L

L

L

V

R

R

E

D

G

G

A

A

I

L

G

G

-

P

-

V

R

R

L

T

V

V

H

V

V

T

A

D

G

H

I

G

F
|
F

T

T

Y

I

D

-

N

-

R

-

A

G

D

D

P

P

G

K

N

Q

I
x
W

R
|
R

-

L

N

N

A

R

A

A

D

L

Q

A

G

G

G

S

I

L

P

M

D
|
D

I

I

G

G

V

I

Y
|
Y

T

S

Y

L

G

N

C

A

T

A

R

R

W

Y

M

L

T

T

E

G

A

E

E

E

P

P

E

V

A

A

I

V

T

N

H

A

A

V

D

E

I

S

T

T

W

D

E

R

N

S

G

D

-

P

-

R

-

F

-

G

-

E

V

V

D

E

T

D

I

I

A

I

R

N

V

F

S

Q

A

L

R

L

F

F

P

P

-

S

G

G

F

A

T

T

A

A

H

N

W

C

V

V

N

S

S

A

M

Y

R

S

M

V

A

N

P

C

F

N

Q

R

D

Y

M

R

V

V

F

-

H

S

G

G

E

P

T

K

G

G

V

W

L

V

R

E

L

I

T

D

A

P

P

A

F

T

N

S

A
x
Y

Q

Q

V

-

F

-

G

G

E

Q

A

A

-

M

R

R

V

A

E

Q

L

L

H

G

R

G

P

P

G

-

D

-

H

-

T

-

V

-

T

P

V

A

E

P

R

R

F

E

P

P

A

A

-

P

-

Q

-

P

A

K

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

S

R

E

T

C

V

I

R

L

E

T

G

G

A

R

E

E

Y

P

P

I

W

V

S

G

L

G

E

D

D

D

A

G

R

L

G

K

T

D

Q

L

A

R

M

V

I

I

D

E

A

A

V

I

Y

Y

A

R

A

A

K

R

active site: K100 (= K98), Y185 (= Y183)
binding beta-D-glucopyranose: K100 (= K98), F159 (= F155), R168 (= R167), D181 (= D179), Y185 (= Y183)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ F15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (= K42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), N79 (≠ H77), L81 (≠ M79), H82 (= H80), E99 (= E97), K100 (= K98), R128 (≠ M126), W167 (≠ I166), R168 (= R167), Y185 (= Y183), Y263 (≠ A256)

5a03E Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
29% identity, 98% coverage: 5:327/328 of query aligns to 3:328/335 of 5a03E

query
sites
5a03E

L

L

R

G

W

Y

G

A

I

I

L

L

G
|
G

A
x
L

A
x
G

K
x
Y

F
x
Y

A

A

R

T

E

R

Q

I

M

I

G

M

P

P

A

R

I

F

H

A

A

E

A

C

R

E

G

H

A

S

T

R

L

L

A

A

L

L

A

V

S
|
S

R
x
G

D
x
T

A

P

A

E

K
|
K

A

L

A

K

P

T

F

Y

R

G

A

E

F

Q

A

Y

P

G

G

I

L

P

R

E

V

T

H

H

-

R

-

Y

-

S

-
x
Y

T

E

D

T

Y

F

D

D

A

R

L

I

A

D

D

N

P

P

E

D

V

V

D

D

A

I

V

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

H
x
N

P

S

M

L

H
|
H

V

R

P

P

W

F

A

T

M

E

K

R

A

A

L

A

E

R

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

N

T

T

A

V

A

A

E

D

I

C

D

E

P

A

L

M

I

I

S

A

R

A

R

C

N

K

A

K

T

A

G

G

L

R

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

S

V

R

H

F

H

Q

P

A

Q
x
H

W

N

Q

I

R

E

A

A

R

I

A

K

L

L

L

V

R

R

E

D

G

G

A

A

I

L

G

G

-

P

-

V

R

R

L

T

V

V

H

V

V

T

A

D

G

H

I

G

F
|
F

T

T

Y

I

D

-

N

-

R

-

A

G

D

D

P

P

G

K

N

Q

I
x
W

R
|
R

-

L

N

N

A

R

A

A

D

L

Q

A

G

G

G

S

I

L

P

M

D
|
D

I

I

G

G

V

I

Y
|
Y

T

S

Y

L

G

N

C

A

T

A

R

R

W

Y

M

L

T

T

E

G

A

E

E

E

P

P

E

V

A

A

I

V

T

N

H

A

A

V

D
x
E

I

S

T
|
T

W

D

E
x
R

N

S

G

D

-

P

-

R

-

F

-

G

-

E

V

V

D

E

T

D

I

I

A

I

R

N

V

F

S

Q

A

L

R

L

F

F

P

P

-

S

G

G

F

A

T

T

A

A

H

N

W

C

V

V

N

S

S

A

M

Y

R

S

M

V

A

N

P

C

F

N

Q

R

D

Y

M

R

V

V

F

-

H

S

G

G

E

P

T

K

G

G

V

W

L

V

R

E

L

I

T

D

A

P

P

A

F

T

N

S

A
x
Y

Q

Q

V

-

F

-

G

G

E

Q

A

A

-
x
M

R

R

V

A

E

Q

L

L

H

G

R

G

P

P

G

-

D

-

H

-

T

-

V

-

T

P

V

A

E

P

R
|
R

F
x
E

P

P

A

A

-

P

-

Q

-

P

A

K

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

S

R

E

T

C

V

I

R

L

E

T

G

G

A

R

E

E

Y

P

P

I

W

V

S

G

L

G

E

D

D

D

A

G

R

L

G

K

T

D

Q

L

A

R

M

V

I

I

D

E

A

A

V

I

Y

Y

A

R

A

A

K

R

active site: K100 (= K98), Y185 (= Y183)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G11), L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ F15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (= K42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), N79 (≠ H77), H82 (= H80), E99 (= E97), K100 (= K98), R128 (≠ M126), W167 (≠ I166), R168 (= R167), Y185 (= Y183), Y263 (≠ A256)
binding beta-D-xylopyranose: K100 (= K98), F159 (= F155), R168 (= R167), D181 (= D179), Y185 (= Y183), E205 (≠ D203), T207 (= T205), R209 (≠ E207)
binding alpha-D-xylopyranose: H134 (≠ Q132), M268 (vs. gap), R279 (= R281), E280 (≠ F282)

5a02A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glycerol (see paper)
29% identity, 98% coverage: 5:327/328 of query aligns to 3:328/335 of 5a02A

query
sites
5a02A

L

L

R

G

W

Y

G

A

I

I

L

L

G

G

A
x
L

A
x
G

K
x
Y

F
x
Y

A

A

R

T

E

R

Q

I

M

I

G

M

P

P

A

R

I

F

H

A

A

E

A

C

R

E

G

H

A

S

T

R

L

L

A

A

L

L

A

V

S
|
S

R
x
G

D
x
T

A

P

A

E

K
|
K

A

L

A

K

P

T

F

Y

R

G

A

E

F

Q

A

Y

P

G

G

I

L

P

R

E

V

T

H

H

-

R

-

Y

-

S

-
x
Y

T

E

D

T

Y

F

D

D

A

R

L

I

A

D

D

N

P

P

E

D

V

V

D

D

A

I

V

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

H

N

P

S

M
x
L

H
|
H

V

R

P

P

W

F

A

T

M

E

K

R

A

A

L

A

E

R

A

A

G

G

K

K

H

H

V

V

L

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

M

N

T

T

A

V

A

A

E

D

I

C

D

E

P

A

L

M

I

I

S

A

R

A

R

C

N

K

A

K

T

A

G

G

L

R

H

K

C

L

A

M

E

I

A

G

Y

Y

M
x
R

I

S

V

R

H

F

H

Q

P

A

Q

H

W

N

Q

I

R

E

A

A

R

I

A

K

L

L

L

V

R

R

E

D

G

G

A

A

I

L

G

G

-

P

-

V

R

R

L

T

V

V

H

V

V

T

A

D

G

H

I

G

F

F

T

T

Y

I

D

-

N

-

R

-

A

G

D

D

P

P

G

K

N

Q

I
x
W

R
|
R

-

L

N

N

A

R

A

A

D

L

Q

A

G

G

G

S

I

L

P

M

D

D

I

I

G

G

V

I

Y
|
Y

T

S

Y

L

G

N

C

A

T

A

R

R

W

Y

M

L

T

T

E

G

A

E

E

E

P

P

E

V

A

A

I

V

T

N

H

A

A

V

D

E

I

S

T

T

W

D

E

R

N

S

G

D

-

P

-

R

-

F

-

G

-

E

V

V

D

E

T

D

I

I

A

I

R

N

V

F

S

Q

A

L

R

L

F

F

P

P

-

S

G

G

F

A

T

T

A

A

H

N

W

C

V

V

N

S

S

A

M

Y

R

S

M

V

A

N

P

C

F

N

Q

R

D

Y

M

R

V

V

F

-

H

S

G

G

E

P

T

K

G

G

V

W

L

V

R

E

L

I

T

D

A

P

P

A

F

T

N

S

A
x
Y

Q

Q

V

-

F

-

G

G

E

Q

A

A

-

M

R

R

V

A

E

Q

L

L

H

G

R

G

P

P

G

-

D

-

H

-

T

-

V

-

T

P

V

A

E

P

R

R

F

E

P

P

A

A

-

P

-

Q

-

P

A

K

N

N

Q

Q

Y

F

V

S

A

A

Q

Q

V

L

E

D

A

H

F

L

G

S

R

E

T

C

V

I

R

L

E

T

G

G

A

R

E

E

Y

P

P

I

W

V

S

G

L

G

E

D

D

D

A

G

R

L

G

K

T

D

Q

L

A

R

M

V

I

I

D

E

A

A

V

I

Y

Y

A

R

A

A

K

R

active site: K100 (= K98), Y185 (= Y183)
binding nadp nicotinamide-adenine-dinucleotide phosphate: L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ F15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (= K42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), L81 (≠ M79), H82 (= H80), E99 (= E97), K100 (= K98), R128 (≠ M126), W167 (≠ I166), R168 (= R167), Y185 (= Y183), Y263 (≠ A256)

2poqX Dimeric dihydrodiol dehydrogenase complexed with inhibitor, isoascorbic acid (see paper)
29% identity, 66% coverage: 5:222/328 of query aligns to 2:219/331 of 2poqX

query
sites
2poqX

L

L

R

R

W

W

G

G

I

I

L

V

G

S

A

V

A

G

K

L

F

I

A

S

R

S

E

D

Q

F

M

T

G

A

P

V

A

L

I

Q

H

T

A

L

A

P

R

R

G

S

A

E

-

H

T

Q

L

V

A

V

A

A

L

V

A

A

S

A

R

R

D

D

A

L

A

S

K

R

A

A

A

K

P

E

F

F

R

A

A

Q

F

K

A

H

P

D

G

I

L

P

R

K

V

A

H

Y

T

G

D

S

Y

Y

D

E

A

E

L

L

L

A

A

K

D

D

P

P

E

N

V

V

D

E

A

V

V

A

Y

Y

I

V

P

G

L

T

P

Q

H

H

P

P

M

Q

H

H

V

K

P

A

W

A

A

V

M

M

K

L

A

C

L

L

E

A

A

A

G

G

K

K

H

A

V

V

L

L

A

C

E

E

K

K

P

P

L

M

A

G

M

V

T

N

A

A

E

E

I

V

D

R

P

E

L

M

I

V

S

T

R

E

R

A

N

R

A

S

T

R

G

G

L

L

H

F

C

L

A

M

E

E

A

A

Y

I

M

W

I

T

V

R

H

F

P

P

Q

A

W

S

Q

E

R

A

A

L

R

R

A

S

L

V

L

L

R

A

E

Q

G

G

A

T

I

L

G

G

R

D

L

L

V

R

H

V

V

A

A

R

G

A

I

E

F

F

T

G

Y
x
K

D

N

N

L

R

T

A

H

D

V

P

P

G

R

N

A

I

V

R

D

N

W

A

A

A

-

D

-

Q

Q

G

A

G

G

G

A

I

L

P

L

D

D

I

L

G

G

V

I

Y

Y

T

-

Y

-

G

-

C

C

T

V

R

Q

W

F

M

I

T

S

E

M

A

V

-

F

-

G

-

Q

E

K

P

P

E

E

A

K

I

I

T

S

H

V

A

M

D

G

I

R

T

R

W

H

E

E

N

T

G

G

V

V

D

D

T

D

I

T

A

V

R

T

V

V

S

L

A

L

R

Q

F

Y

P

P

G

G

binding isoascorbic acid: K155 (≠ Y157)

Sites not aligning to the query:

binding isoascorbic acid: 278, 279

2o4uX Crystal structure of mammalian dimeric dihydrodiol dehydrogenase (see paper)
29% identity, 66% coverage: 5:222/328 of query aligns to 2:219/331 of 2o4uX

query
sites
2o4uX

L
|
L

R

R

W

W

G

G

I

I

L

V

G
x
S

A
x
V

A

G

K

L

F

I

A

S

R

S

E

D

Q

F

M

T

G

A

P

V

A

L

I

Q

H

T

A

L

A

P

R

R

G

S

A

E

-

H

T

Q

L

V

A

V

A

A

L

V

A

A

S
x
A

R
|
R

D

D

A

L

A

S

K
x
R

A

A

A

K

P

E

F

F

R

A

A

Q

F

K

A

H

P

D

G

I

L

P

R

K

V

A

H

Y

T

G

D

S

Y
|
Y

D

E

A

E

L

L

L

A

A

K

D

D

P

P

E

N

V

V

D

E

A

V

V

A

Y

Y

I

V

P

G

L

T

P

Q

H

H

P

P

M

Q

H

H

V

K

P

A

W

A

A

V

M

M

K

L

A

C

L

L

E

A

A

A

G

G

K

K

H

A

V

V

L

L

A

C

E

E

K

K

P

P

L

M

A

G

M

V

T
x
N

A

A

A
|
A

E

E

I

V

D

R

P

E

L

M

I

V

S

T

R

E

R

A

N

R

A

S

T

R

G

G

L

L

H

F

C

L

A

M

E

E

A

A

Y

I

M

W

I

T

V

R

H

F

P

P

Q

A

W

S

Q

E

R

A

A

L

R

R

A

S

L

V

L

L

R

A

E

Q

G

G

A

T

I

L

G

G

R
x
D

L

L

V
x
R

H

V

V

A

A

R

G

A

I

E

F

F

T

G

Y
x
K

D

N

N

L

R

T

A

H

D

V

P

P

G

R

N

A

I

V

R

D

N

W

A

A

A

-

D

-

Q

Q

G

A

G

G

G

A

I

L

P

L

D

D

I

L

G

G

V

I

Y

Y

T

-

Y

-

G

-

C

C

T

V

R

Q

W

F

M

I

T

S

E

M

A

V

-

F

-

G

-

Q

E

K

P

P

E

E

A

K

I

I

T

S

H

V

A

M

D

G

I

R

T

R

W

H

E

E

N

T

G

G

V

V

D

D

T

D

I

T

A

V

R

T

V

V

S

L

A

L

R

Q

F

Y

P

P

G

G

binding phosphate ion: L2 (= L5), S8 (≠ G11), V9 (≠ A12), A35 (≠ S37), R36 (= R38), R40 (≠ K42), Y57 (= Y59), N101 (≠ T103), A103 (= A105), D145 (≠ R147), R147 (≠ V149), K155 (≠ Y157)

Sites not aligning to the query:

binding phosphate ion: 1, 232, 234, 236, 247, 250, 253, 292, 296, 318

Q7JK39 Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase; D-xylose 1-dehydrogenase; D-xylose-NADP dehydrogenase; Dimeric dihydrodiol dehydrogenase; Jmo2DD; EC 1.3.1.20; EC 1.1.1.179 from Macaca fuscata fuscata (Japanese macaque) (see paper)
29% identity, 66% coverage: 5:222/328 of query aligns to 3:220/334 of Q7JK39

query
sites
Q7JK39

L

L

R

R

W

W

G

G

I

I

L

V

G

S

A

V

A

G

K

L

F

I

A

S

R

S

E

D

Q

F

M

T

G

A

P

V

A

L

I

Q

H

T

A

L

A

P

R

R

G

S

A

E

-

H

T

Q

L

V

A

V

A

A

L

V

A

A

S

A

R

R

D

D

A

L

A

S

K

R

A

A

A

K

P

E

F

F

R

A

A

Q

F

K

A

H

P

D

G

I

L

P

R

K

V

A

H

Y

T

G

D

S

Y

Y

D

E

A

E

L

L

L

A

A

K

D

D

P

P

E

N

V

V

D

E

A

V

V

A

Y

Y

I

V

P

G

L

T

P

Q

H

H

P

P

M

Q

H
|
H

V

K

P

A

W

A

A

V

M

M

K

L

A

C

L

L

E

A

A

A

G

G

K

K

H

A

V

V

L

L

A

C

E

E

K

K

P

P

L

M

A

G

M

V

T

N

A

A

E

E

I

V

D

R

P

E

L

M

I

V

S

T

R

E

R

A

N

R

A

S

T

R

G

G

L

L

H

F

C

L

A

M

E

E

A

A

Y

I

M

W

I

T

V

R

H

F

P

P

Q

A

W

S

Q

E

R

A

A

L

R

R

A

S

L

V

L

L

R

A

E

Q

G

G

A

T

I

L

G

G

R

D

L

L

V

R

H

V

V

A

A

R

G

A

I

E

F

F

T

G

Y

K

D

N

N

L

R

T

A

H

D

V

P

P

G

R

N

A

I

V

R

D

N

W

A

A

A

-

D

-

Q

Q

G

A

G

G

G

A

I

L

P

L

D

D

I

L

G

G

V

I

Y
|
Y

T

-

Y

-

G

-

C

C

T

V

R

Q

W

F

M

I

T

S

E

M

A

V

-

F

-

G

-

Q

E

K

P

P

E

E

A

K

I

I

T

S

H

V

A

M

D

G

I

R

T

R

W

H

E

E

N

T

G

G

V

V

D

D

T

D

I

T

A

V

R

T

V

V

S

L

A

L

R

Q

F

Y

P

P

G

G

H79 (= H80) mutation to E: Decrease in K(d) and K(m) value for NADPH. Elimination of the fluorescence-energy transfer and enhancement of NADPH fluorescence by the binary complex formation. Potent inhibition of the dehydrogenase activity by high ionic strength.
Y180 (= Y183) mutation to F: Significant loss of activity. No effect on the high affinity for NADPH, fluorescence-energy transfer and enhancement of NADPH fluorescence by the binary complex formation.

Q9TQS6 Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase; Cmo2DD; D-xylose 1-dehydrogenase; D-xylose-NADP dehydrogenase; Dimeric dihydrodiol dehydrogenase; EC 1.3.1.20; EC 1.1.1.179 from Macaca fascicularis (Crab-eating macaque) (Cynomolgus monkey) (see paper)
29% identity, 66% coverage: 5:222/328 of query aligns to 3:220/334 of Q9TQS6

query
sites
Q9TQS6

L

L

R

R

W

W

G

G

I

I

L

V

G

S

A

V

A

G

K

L

F

I

A

S

R

S

E

D

Q

F

M

T

G

A

P

V

A

L

I

Q

H

T

A

L

A

P

R

R

G

S

A

E

-

H

T

Q

L

V

A

V

A

A

L

V

A

A

S

A

R

R

D

D

A

L

A

S

K

R

A

A

A

K

P

E

F

F

R

A

A

Q

F

K

A

H

P

D

G

I

L

P

R

K

V

A

H

Y

T

G

D

S

Y

Y

D

E

A

E

L

L

L

A

A

K

D

D

P

P

E

N

V

V

D

E

A

V

V

A

Y

Y

I

V

P

G

L

T

P

Q

H

H

P

P

M

Q

H

H

V

K

P

A

W

A

A

V

M

M

K

L

A

C

L

L

E

A

A

A

G

G

K

K

H

A

V

V

L

L

A

C

E

E

K

K

P

P

L

M

A

G

M

V

T

N

A

A

E

E

I

V

D

R

P

E

L

M

I

V

S

T

R

E

R

A

N

R

A

S

T

R

G

G

L

L

H

F

C

L

A

M

E

E

A

A

Y

I

M

W

I

T

V

R

H

F

P

P

Q

A

W

S

Q

E

R

A

A

L

R

R

A

S

L

V

L

L

R

A

E

Q

G

G

A

T

I

L

G

G

R

D

L

L

V
x
R

H

V

V

A

A

R

G

A

I

E

F

F

T

G

Y

K

D

N

N

L

R

T

A

H

D

V

P

P

G

R

N

A

I

V

R

D

N

W

A

A

A

-

D

-

Q

Q

G

A

G

G

G

A

I

L

P

L

D

D

I

L

G

G

V

I

Y

Y

T

-

Y

-

G

-

C

C

T

V

R

Q

W

F

M

I

T

S

E

M

A

V

-

F

-

G

-

Q

E

K

P

P

E

E

A

K

I

I

T

S

H

V

A

M

D

G

I
x
R

T

R

W

H

E

E

N

T

G

G

V

V

D

D

T

D

I

T

A

V

R

T

V

V

S

L

A

L

R

Q

F

Y

P

P

G

G

R148 (≠ V149) mutation to A: No effect on activity. Reduced activity and exhibits significant temperature sensitivity; when associated with A-202.
R202 (≠ I204) mutation to A: No effect on activity. Reduced activity and exhibits significant temperature sensitivity; when associated with A-148.

Q2I8V6 1,5-anhydro-D-fructose reductase; Anhydrofructose reductase; 1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming); EC 1.1.1.292 from Ensifer adhaerens (Sinorhizobium morelense) (see paper)
29% identity, 74% coverage: 6:248/328 of query aligns to 3:250/333 of Q2I8V6

query
sites
Q2I8V6

R

R

W

W

G

G

I

L

L

I

G

G

A
|
A

A
x
S

K
x
T

F
x
I

A
|
A

R

R

E

E

Q

W

M

V

G

I

P

G

A

A

I

I

H

R

A

A

A

T

R

-

G

G

A

G

T

E

L

V

A

V

A

S

L

M

A

M

S
|
S

R
x
T

D

S

A

A

A

E

K
x
R

A

G

A

A

P

A

F

Y

R

A

A

T

F

E

A

N

P

G

G

I

L

G

R

K

V

S

H

V

T

T

D

S

Y

V

D

E

A

E

L

L

L

V

A

G

D

D

P

P

E

D

V

V

D

D

A

A

V

V

Y

Y

I

V

P

S

L
x
T

P
x
T

H
x
N

P
x
E

M
x
L

H
|
H

V

R

P

E

W

Q

A

T

M

L

K

A

A

A

L

I

E

R

A

A

G

G

K

K

H

H

V

V

L

L

A

C

E
|
E

K
|
K

P

P

L

L

A

A

M

M

T

T

A

L

A

E

E

D

I

A

D

R

P

E

L

M

I

V

S

V

R

A

N

R

A

E

T

A

G

G

L

V

H

V

C

L

A

G

E

T

A
x
N

Y

H

M

H

I

L

V

R

H

N

H

A

P

A

Q

A

W

H

Q

R

R

A

A

M

R

R

A

D

L

A

L

I

R

A

E

E

G

G

A

R

I

I

G

G

R

R

L

P

V

I

H

-

V

A

A

A

G

R

I

V

F

F

-

H

-

A

T

V

Y

Y

D

L

N

P

R

P

A

H

D

L

P

Q

G

G

N
x
W

I
x
R

R

L

N

E

A

R

A

P

D

E

Q

A

G

G

G

V

I

I

P

L

D
|
D

I

I

G

T

V

V

Y
x
H

T

D

Y

A

G

D

C

T

T

L

R

R

W

F

M

V

T

L

E

N

A

D

E

D

P

P

E

A

-

E

-

A

-

V

A

A

I

I

T

S

H

H

A

S

D

A

I

G

T

M

W
x
G

E

K

N

E

G

G

V

V

D

E

T

D

I

G

A

V

R

M

V

G

S

G

A

V

R

R

F

F

P

Q

G

S

F

G

T

V

A

I

H

A

W

Q

V

F

N

H

S

D

M

A

R

F

M

T

A

T

P

K

F

F

Q

A

D

E

M

T

V

G

F

F

-

E

-

V

H

H

G

G

E

T

T

E

G

G

V

S

L

L

ASTI 9:12 (≠ AAKF 12:15) binding
S10 (≠ A13) mutation to G: Almost no effect.
A13 (= A16) mutation to G: Can use NAD as cosubstrate as well as NADP.
S33 (= S37) mutation to D: No activity.
ST 33:34 (≠ SR 37:38) binding
R38 (≠ K42) binding
TTNELH 71:76 (≠ LPHPMH 75:80) binding
EK 93:94 (= EK 97:98) binding
K94 (= K98) mutation to G: Less than 1% remaining activity.
N120 (≠ A124) binding
WR 162:163 (≠ NI 165:166) binding
D176 (= D179) mutation to A: Less than 1% remaining activity.
H180 (≠ Y183) mutation to A: Less than 2% remaining activity.
G206 (≠ W206) mutation to I: No effect.

Sites not aligning to the query:

283 binding

4koaA Crystal structure analysis of 1,5-anhydro-d-fructose reductase from sinorhizobium meliloti (see paper)
32% identity, 60% coverage: 5:202/328 of query aligns to 2:202/333 of 4koaA

query
sites
4koaA

L

I

R

R

W

W

G

G

I

L

L

I

G
|
G

A
|
A

A
x
S

K
x
T

F
x
I

A

A

R

R

E

E

Q

W

M

V

G

I

P

G

A

A

I

I

H

R

A

A

R

G

G

G

A

E

T

V

L

V

A

S

A

V

L

M

A
x
S

S
|
S

R

-

D

S

A

A

A

E

K
x
R

A

G

A

E

P

A

F

Y

R

A

A

A

F

E

A

N

P

G

G

I

L

A

R

K

V

A

H

V

T

T

D

S

Y

V

D

D

A

D

L

L

L

V

A

G

D

D

P

P

E

D

V

V

D

D

A

A

V

V

Y

Y

I

I

P

S

L
x
T

P

T

H
x
N

P

E

M

L

H
|
H

V

H

P

G

W

Q

A

A

M

L

K

A

A

A

L

I

E

R

A

A

G

G

K

K

H

H

V

V

L

L

A

C

E

E

K
|
K

P

P

L

L

A

A

M

M

T

N

A

L

A

N

E

D

I

G

D

C

P

E

L

M

I

V

S

L

R

K

R

A

N

C

A

E

T

A

G

G

L

V

H

V

C

L

A

G

E

T

A

N

Y

H

M

H

I

L

V

R

H

N

H

A

P

A

Q

T

W

H

Q

R

R

A

A

M

R

R

A

E

L

A

L

I

R

A

E

A

G

G

A

R

I

I

G

G

R

R

L

P

V

I

H

-

V

A

A

A

G

R

I

V

F

F

-

H

-

A

T

V

Y

Y

D

L

N

P

R

P

A

H

D

L

P
x
Q

G

G

N

W

I

R

R

L

N

D

A

K

A

P

D

E

Q

A

G

G

G

V

I

I

P

L

D

D

I

I

G

T

V

V

Y
x
H

T

D

Y

A

G

D

C

T

T

L

R

R

W

F

M

V

T

L

E

N

A

D

E

D

P

P

-

I

-

E

-

A

E

V

A

A

I

I

T

S

H

H

A

S

active site: K94 (= K98), H180 (≠ Y183)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), A9 (= A12), S10 (≠ A13), T11 (≠ K14), I12 (≠ F15), S33 (≠ A36), S34 (= S37), R38 (≠ K42), T71 (≠ L75), N73 (≠ H77), H76 (= H80), K94 (= K98), Q160 (≠ P163)

2glxA Crystal structure analysis of bacterial 1,5-af reductase (see paper)
29% identity, 74% coverage: 6:248/328 of query aligns to 2:249/332 of 2glxA

query
sites
2glxA

R

R

W

W

G

G

I

L

L

I

G
|
G

A
|
A

A
x
S

K
x
T

F
x
I

A

A

R

R

E

E

Q

W

M

V

G

I

P

G

A

A

I

I

H

R

A

A

A

T

R

-

G

G

A

G

T

E

L

V

A

V

A

S

L

M

A

M

S
|
S

R
x
T

D

S

A

A

A

E

K
x
R

A

G

A

A

P

A

F

Y

R

A

A

T

F

E

A

N

P

G

G

I

L

G

R

K

V

S

H

V

T

T

D

S

Y

V

D

E

A

E

L

L

L

V

A

G

D

D

P

P

E

D

V

V

D

D

A

A

V

V

Y

Y

I

V

P
x
S

L
x
T

P

T

H
x
N

P

E

M

L

H
|
H

V

R

P

E

W

Q

A

T

M

L

K

A

A

A

L

I

E

R

A

A

G

G

K

K

H

H

V

V

L

L

A

C

E
|
E

K
|
K

P

P

L

L

A

A

M

M

T

T

A

L

A

E

E

D

I

A

D

R

P

E

L

M

I

V

S

V

R

A

N

R

A

E

T

A

G

G

L

V

H

V

C

L

A

G

E

T

A

N

Y

H

M
x
H

I

L

V

R

H

N

H

A

P

A

Q

A

W

H

Q

R

R

A

A

M

R

R

A

D

L

A

L

I

R

A

E

E

G

G

A

R

I

I

G

G

R

R

L

P

V

I

H

-

V

A

A

A

G

R

I

V

F

F

-

H

-

A

T

V

Y

Y

D

L

N

P

R

P

A

H

D

L

P

Q

G

G

N
x
W

I
x
R

R

L

N

E

A

R

A

P

D

E

Q

A

G

G

G

V

I

I

P

L

D

D

I

I

G

T

V

V

Y
x
H

T

D

Y

A

G

D

C

T

T

L

R

R

W

F

M

V

T

L

E

N

A

D

E

D

P

P

E

A

-

E

-

A

-

V

A

A

I

I

T

S

H

H

A

S

D

A

I

G

T

M

W

G

E

K

N

E

G

G

V

V

D

E

T

D

I

G

A

V

R

M

V

G

S

V

A

L

R

R

F

F

P

Q

G

S

F

G

T

V

A

I

H

A

W

Q

V

F

N

H

S

D

M

A

R

F

M

T

A

T

P

K

F

F

Q

A

D

E

M

T

V

G

F

F

-

E

-

V

H

H

G

G

E

T

T

E

G

G

V

S

L

L

active site: K93 (= K98), H179 (≠ Y183)
binding acetate ion: K93 (= K98), H179 (≠ Y183)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G11), A8 (= A12), S9 (≠ A13), T10 (≠ K14), I11 (≠ F15), S32 (= S37), T33 (≠ R38), R37 (≠ K42), S69 (≠ P74), T70 (≠ L75), N72 (≠ H77), H75 (= H80), E92 (= E97), K93 (= K98), H121 (≠ M126), W161 (≠ N165), R162 (≠ I166)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 282

3e18A Crystal structure of NAD-binding protein from listeria innocua
28% identity, 48% coverage: 52:210/328 of query aligns to 48:220/348 of 3e18A

query
sites
3e18A

G

G

L

L

R

K

V

I

H

Y

T

E

D

S

Y

Y

D

E

A

A

L

V

L

L

A

A

D

D

P

E

E

K

V

V

D

D

A

A

V

V

Y

L

I

I

P
x
A

L
x
T

P
|
P

H
x
N

P

D

M

S

H
|
H

V

K

P

E

W

L

A

A

M

I

K

S

A

A

L

L

E

E

A

A

G

G

K

K

H

H

V

V

L

V

A

C

E
|
E

K
|
K

P

P

L

V

A

T

M

M

T

T

A

S

A

E

E

D

I

L

D

L

P

A

L

I

I

M

S

D

R

V

R

A

N

K

A

R

T

V

G

N

L

K

H

H

C

-

A

-

E

-

A

-

Y

F

M

M

I

V

V

H

H

Q

H
x
N

P

R

Q

R

W

W

Q

D

R

E

A

D

R

F

A

L

L

I

R

K

E

E

-

M

-

F

-

E

-

Q

G

K

A

T

I

I

G

G

R

E

L

M

V

F

H

H

V

L

A

E

G

S

I

-

F

R

T

V

Y

H

D

G

N

A

R

N

A

G

D

I

P

P

G

G

N

D

I
x
W

R
|
R

N

H

A

L

A

K

D

A

Q

H

G

G

G

M

I

V

P

L

D

D

I

W

G

G

V

V

Y
x
H

T

L

Y

L

G

D

C

Q

T

L

R

L

W

F

M

L

T

V

E

D

A

S

E

N

P

V

E

K

A

S

I

V

T

S

-

A

-

N

-

L

-

S

-

F

-

A

-

L

-

G

-

D

H

E

A

V

D

D

-

D

-

G

-

F

-

V

-

T

-

F

I

I

T

T

W

F

E

E

N

N

G

G

V

I

active site: K94 (= K98), H178 (≠ Y183)
binding nicotinamide-adenine-dinucleotide: A70 (≠ P74), T71 (≠ L75), P72 (= P76), N73 (≠ H77), H76 (= H80), E93 (= E97), K94 (= K98), N122 (≠ H130), W161 (≠ I166), R162 (= R167), H178 (≠ Y183)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 12, 13, 14, 34, 35, 36, 40

6jw6A The crystal structure of kand2 in complex with NAD (see paper)
30% identity, 60% coverage: 4:200/328 of query aligns to 1:197/341 of 6jw6A

query
sites
6jw6A

P

P

L

V

R

R

W

V

G

G

I

V

L

V

G

G

A

A

A
x
G

K

-

F
|
F

A
x
M

R

G

E

G

Q

V

M

H

G

A

P

E

A

V

I

V

H

A

A

A

A

H

R

P

G

G

A

A

T

R

L

L

A

E

A

A

L

V

A

H

S
x
D

R
x
L

D

D

A

P

A

A

K

A

A

A

A

R

P

D

F

L

R

A

A

E

F

R

A

F

P

R

G

A

L

E

R

R

V

A

H

E

T

P

D

S

Y

W

D

A

A

D

L

L

A

A

D

D

P

P

E

A

V

I

D

D

A

L

V

L

Y

I

I

I

P
x
T

L
x
T

P
|
P

H
x
N

P

G

M
x
L

H
|
H

V

H

P

R

W
x
Q

A

A

M

A

K

E

A

A

L

L

E

R

A

A

G

G

K

K

H

H

V

V

L

L

A

V

E
|
E

K
|
K

P

P

L

L

A

G

M

V

T

T

A

P

A

E

E

Q

I

V

D

A

P

E

L

L

I

V

S

E

R

L

R

A

N

G

A

R

T

H

G

D

L

R

H

V

C

L

A

A

E

H

A

G

Y

S

M
x
N

I

F

V

V

H

H

H

S

P

P

Q

K

W

F

Q

V

R

R

A

A

R

R

A

Q

L

L

L

V

R

A

E

D

G

T

-

E

A

A

I

F

G

G

R

R

L

-

V

P

H

H

V

L

A

V

G

R

I

V

F

V

T

F

Y

R

D

N

N

S

R

G

A

P

D

E

P

A

G

A

N
x
W

I

A

R

A

N

S

A

K

A

D

D

L

Q

A

G

G

G

A

I

L

P

L

D

D

I

L

G

G

V

C

Y
x
H

T

A

Y

V

G

E

C

L

T

C

R

R

W

W

M

L

T

L

E

D

-

G

A

A

E

D

P

V

E

E

A

S

I

V

T

S

binding nicotinamide-adenine-dinucleotide: G10 (≠ A13), F11 (= F15), M12 (≠ A16), D33 (≠ S37), L34 (≠ R38), T70 (≠ P74), T71 (≠ L75), P72 (= P76), N73 (≠ H77), L75 (≠ M79), H76 (= H80), Q79 (≠ W83), E93 (= E97), K94 (= K98), N122 (≠ M126), W161 (≠ N165), H179 (≠ Y183)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 290

Query Sequence

>3609222 FitnessBrowser__Dino:3609222
MTTPLRWGILGAAKFAREQMGPAIHAARGATLAALASRDAAKAAPFRAFAPGLRVHTDYD
ALLADPEVDAVYIPLPHPMHVPWAMKALEAGKHVLAEKPLAMTAAEIDPLISRRNATGLH
CAEAYMIVHHPQWQRARALLREGAIGRLVHVAGIFTYDNRADPGNIRNAADQGGGGIPDI
GVYTYGCTRWMTEAEPEAITHADITWENGVDTIARVSARFPGFTAHWVNSMRMAPFQDMV
FHGETGVLRLTAPFNAQVFGEARVELHRPGGGGDHTVTVERFPAANQYVAQVEAFGRTVR
EGAEYPWSLEDARGTQAMIDAVYAAAKG

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