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)
32% identity, 98% coverage: 5:320/322 of query aligns to 10:322/332 of B3TMR8

query
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B3TMR8

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17:23 (vs. 12:18, 43% 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 (≠ K166) binding
D182 (= D178) binding
Y186 (= Y182) 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.

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)
32% identity, 77% coverage: 5:253/322 of query aligns to 3:252/334 of Q7JK39

query
sites
Q7JK39

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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 (= Y182) 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)
32% identity, 77% coverage: 5:253/322 of query aligns to 3:252/334 of Q9TQS6

query
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Q9TQS6

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R148 (≠ K149) mutation to A: No effect on activity. Reduced activity and exhibits significant temperature sensitivity; when associated with A-202.
R202 (≠ P206) mutation to A: No effect on activity. Reduced activity and exhibits significant temperature sensitivity; when associated with A-148.

2poqX Dimeric dihydrodiol dehydrogenase complexed with inhibitor, isoascorbic acid (see paper)
32% identity, 77% coverage: 5:253/322 of query aligns to 2:251/331 of 2poqX

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2poqX

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binding isoascorbic acid: K155 (≠ T156)

Sites not aligning to the query:

binding isoascorbic acid: 278, 279

2o4uX Crystal structure of mammalian dimeric dihydrodiol dehydrogenase (see paper)
32% identity, 77% coverage: 5:253/322 of query aligns to 2:251/331 of 2o4uX

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2o4uX

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L

V

F

C

L

G

M

E

E

A

A

F

I

M

W

V

T

A

R

H

F

P

P

Q

A

W

S

A

E

Y

A

V

L

R

R

D

S

S

V

L

L

A

A

Q

Q

G

G

L

T

I

L

G

G

E
x
D

L

L

K
x
R

L

V

V

A

E

R

G

A

S

E

F

F

-

G

T
x
K

Y

N

F

L

N

T

D

H

D

V

P

P

G

R

A

A

L

V

K

-

N

-

N

D

L

W

A

A

L

Q

G

A

G

G

G

A

V

L

R

L

D

D

I

L

G

G

V

I

Y

Y

P

C

V

V

-

Q

V

F

T

I

A

S

R

M

L

V

A

F

T

G

G

G

L

Q

E

K

P

P

D

E

R

K

I

I

Q

S

S

-

E

-

I

-

V

V

L

M

D

G

P

R

R

R

F

H

-

E

-

T

G

G

T

V

D

D

R

D

F

T

A

V

R

T

C

V

V

L

A

L

D

Q

F

Y

P

P

G

G

F

E

T

V

L

H

-

G

S

S

F

F

Y

T

C

C

G

S

T

I

Q

T

M

A

A
x
Q

R

L

R
x
S

Q

N

H
x
T

M

A

M

S

F

V

H

S

G

G

T

T

K

K

G

G

W

M

L

A

S
x
Q

V

L

D

L

A
x
N

P

P

binding phosphate ion: L2 (≠ V5), S8 (≠ G11), V9 (≠ A12), A35 (≠ S37), R36 (= R38), R40 (= R42), Y57 (= Y59), N101 (= N103), A103 (= A105), D145 (≠ E147), R147 (≠ K149), K155 (≠ T156), Q232 (≠ A234), S234 (≠ R236), T236 (≠ H238), Q247 (≠ S249), N250 (≠ A252)

Sites not aligning to the query:

binding phosphate ion: 1, 253, 292, 296, 318

5a06A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with sorbitol (see paper)
26% identity, 99% coverage: 4:322/322 of query aligns to 3:326/336 of 5a06A

query
sites
5a06A

R

K

V

L

R

G

W

Y

G

A

V

I

L

L

G

G

A
x
L

A
x
G

K
x
Y

I
x
Y

A

A

N

T

N

R

F

I

V

I

V

M

P

P

A

R

L

F

Q

A

R

E

S

C

R

E

N

H

G

S

R

R

V

L

T

A

M

A

V

L

A

V

S
|
S

R
x
G

D
x
T

L

P

A

E

R
x
K

A

L

Q

K

A

T

F

Y

A

G

T

E

K

Q

H

Y

D

G

I

I

A

P

R

E

V

T

S

H

-

R

-

Y

-

S

-
x
Y

A

E

S

T

Y

F

E

D

E

R

V

I

I

I

A

D

S

N

Q

P

D

D

V

V

D
|
D

A

I

I

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

T
x
N

A

S

S
x
L

H
|
H

F

R

E

P

W

F

C

T

K

E

K

R

A

A

L

A

L

R

G

A

G

G

K

K

H
|
H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

N

N

T

T

V

A

A

E

D

V

C

E

E

E

A

L

M

I

I

A

A

L

A

R

C

D

K

Q

K

T

A

G

G

-
x
R

-

K

L
|
L

V

M

C

I

G

G

-

Y

-
x
R

E

S

A

R

F

F

M

Q

V

A

A

H

H

N

H

I

P

E

Q

A

W

I

A

K

Y

L

V

V

R

R

D

D

S

-

L

-

A

-

Q

-

G

G

L

A

I

L

G

G

E

P

L

V

K

R

L

T

V

V

E

V

G

T

S

D

F

H

T

G

Y
x
F

F

T

N

I

D

G

D

D

P

P

G

K

A

Q

L
x
W

K
x
R

N

L

N

N

L

R

A

A

L

L

G

A

G

G

-

S

V

L

R

M

D
|
D

I

I

G

G

V

I

Y
|
Y

P

S

V

L

V

N

T

A

A

A

R

R

L

Y

A

L

T

T

G

G

L

E

E

E

P

P

-

V

-

A

-

V

D

N

R

A

I

V

Q

E

S

S

E

T

I

D

V

R

L

S

D

D

P

P

R

R

F

F

G

G

T

E

D

-

R

-

F

-

A

-

R

-

C

-

V

V

A

E

D

D

F

I

P

I

G

N

F

F

T

Q

L

L

S

L

F

F

Y

P

C

S

G

G

T

A

Q

T

M

A

-

N

-

C

-

V

-

S

-

A

-

Y

-

S

A

V

R

N

R

C

Q

N

H

R

M

Y

M

R

F

V

H

S

G

G

T

P

K

K

G

G

W

W

L

V

S

E

V

I

D

D

A

P

P

A

F

T

N

-

P

-

G

-

S

S

Y
|
Y

G

Q

P

G

A

Q

K

A

V

M

R

R

H

A

R

Q

R

L

D

G

A

G

T

P

G

P

S

A

E

P

H

R

T

E

Q

P

E

A

F

P

S

Q

D

P

V
x
K

D

N

Q

Q

Y

F

Q

S

A

A

M

Q

V

L

E

D

D
x
H

F

L

S

S

N
x
E

T

C

V

I

I

L

G

T

G

G

T

R

A
x
E

G

P

L

I

V

V

F
x
G

S
x
G

L

-

E

D

S

D

S

G

L

L

A

K

N

D

Q

L

R

R

V

V

I

I

D

E

Q

A

I

I

L

Y

R

R

active site: K101 (= K98), Y186 (= Y182)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L11 (≠ A12), G12 (≠ A13), Y13 (≠ K14), Y14 (≠ I15), S36 (= S37), G37 (≠ R38), T38 (≠ D39), K41 (≠ R42), Y59 (vs. gap), I77 (≠ P74), T78 (≠ L75), P79 (= P76), N80 (≠ T77), L82 (≠ S79), H83 (= H80), E100 (= E97), K101 (= K98), R129 (vs. gap), W168 (≠ L165), R169 (≠ K166), Y186 (= Y182), Y264 (= Y259)
binding sorbitol: D72 (= D69), H96 (= H93), K101 (= K98), R122 (vs. gap), R122 (vs. gap), L124 (= L119), F160 (≠ Y157), R169 (≠ K166), D182 (= D178), Y186 (= Y182), K287 (≠ V282), H296 (≠ D291), E299 (≠ N294), E306 (≠ A301), G310 (≠ F305), G311 (≠ S306)

Sites not aligning to the query:

binding sorbitol: 2

5a03C Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
26% identity, 99% coverage: 4:322/322 of query aligns to 3:326/336 of 5a03C

query
sites
5a03C

R

K

V

L

R

G

W

Y

G

A

V

I

L

L

G
|
G

A
x
L

A
x
G

K
x
Y

I
x
Y

A

A

N

T

N

R

F

I

V

I

V

M

P

P

A

R

L

F

Q

A

R

E

S

C

R

E

N

H

G

S

R

R

V

L

T

A

M

A

V

L

A

V

S
|
S

R
x
G

D
x
T

L

P

A

E

R
x
K

A

L

Q

K

A

T

F

Y

A

G

T

E

K

Q

H

Y

D

G

I

I

A

P

R

E

V

T

S

H

-

R

-

Y

-

S

-
x
Y

A

E

S

T

Y

F

E

D

E

R

V

I

I

I

A

D

S

N

Q

P

D

D

V

V

D

D

A

I

I

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

T
x
N

A

S

S
x
L

H
|
H

F

R

E

P

W

F

C

T

K

E

K

R

A

A

L

A

L

R

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

N

N

T

T

V

A

A

E

D

V

C

E

E

E

A

L

M

I

I

A

A

L

A

R

C

D

K

Q

K

T

A

G

G

-

R

-

K

L

L

V

M

C

I

G

G

-

Y

-
x
R

E

S

A

R

F

F

M

Q

V

A

A

H

H

N

H

I

P

E

Q

A

W

I

A

K

Y

L

V

V

R

R

D

D

S

-

L

-

A

-

Q

-

G

G

L

A

I

L

G

G

E

P

L

V

K

R

L

T

V

V

E

V

G

T

S

D

F

H

T

G

Y
x
F

F

T

N

I

D

G

D

D

P

P

G

K

A

Q

L
x
W

K
x
R

N

L

N

N

L

R

A

A

L

L

G

A

G

G

-

S

V

L

R

M

D
|
D

I

I

G

G

V

I

Y
|
Y

P

S

V

L

V

N

T

A

A

A

R

R

L

Y

A

L

T

T

G

G

L

E

E

E

P

P

-

V

-

A

-

V

D

N

R

A

I

V

Q

E

S

S

E

T

I

D

V

R

L

S

D

D

P

P

R

R

F

F

G

G

T

E

D

-

R

-

F

-

A

-

R

-

C

-

V

V

A

E

D

D

F

I

P

I

G

N

F

F

T

Q

L

L

S

L

F

F

Y

P

C

S

G

G

T

A

Q

T

M

A

-

N

-

C

-

V

-

S

-

A

-

Y

-

S

A

V

R

N

R

C

Q

N

H

R

M

Y

M

R

F

V

H

S

G

G

T

P

K

K

G

G

W

W

L

V

S

E

V

I

D

D

A

P

P

A

F

T

N

-

P

-

G

-

S

S

Y
|
Y

G

Q

P

G

A

Q

K

A

V

M

R

R

H

A

R

Q

R

L

D

G

A

G

T

P

G

P

S

A

E

P

H

R

T

E

Q

P

E

A

F

P

S

Q

D

P

V

K

D

N

Q

Q

Y

F

Q

S

A

A

M

Q

V

L

E

D

D

H

F

L

S

S

N

E

T

C

V

I

I

L

G

T

G

G

T

R

A

E

G

P

L

I

V

V

F

G

S

G

L

-

E

D

S

D

S

G

L

L

A

K

N

D

Q

L

R

R

V

V

I

I

D

E

Q

A

I

I

L

Y

R

R

active site: K101 (= K98), Y186 (= Y182)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G10 (= G11), L11 (≠ A12), G12 (≠ A13), Y13 (≠ K14), Y14 (≠ I15), S36 (= S37), G37 (≠ R38), T38 (≠ D39), K41 (≠ R42), Y59 (vs. gap), I77 (≠ P74), T78 (≠ L75), P79 (= P76), N80 (≠ T77), L82 (≠ S79), H83 (= H80), E100 (= E97), K101 (= K98), R129 (vs. gap), W168 (≠ L165), R169 (≠ K166), Y186 (= Y182), Y264 (= Y259)
binding beta-D-xylopyranose: K101 (= K98), F160 (≠ Y157), R169 (≠ K166), D182 (= D178), Y186 (= Y182)

5a05A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with maltotriose (see paper)
26% identity, 99% coverage: 4:322/322 of query aligns to 2:325/335 of 5a05A

query
sites
5a05A

R

K

V

L

R

G

W

Y

G

A

V

I

L

L

G
|
G

A
x
L

A
x
G

K
x
Y

I
x
Y

A

A

N

T

N

R

F

I

V

I

V

M

P

P

A

R

L

F

Q

A

R

E

S

C

R

E

N

H

G

S

R

R

V

L

T

A

M

A

V

L

A

V

S
|
S

R
x
G

D
x
T

L

P

A

E

R
x
K

A

L

Q

K

A

T

F

Y

A

G

T

E

K

Q

H

Y

D

G

I

I

A

P

R

E

V

T

S

H

-

R

-

Y

-

S

-
x
Y

A

E

S

T

Y

F

E

D

E

R

V

I

I

I

A

D

S

N

Q

P

D

D

V

V

D

D

A

I

I

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

T
x
N

A

S

S
x
L

H
|
H

F

R

E

P

W

F

C

T

K

E

K

R

A

A

L

A

L

R

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

N

N

T

T

V

A

A

E

D

V

C

E

E

E

A

L

M

I

I

A

A

L

A

R

C

D

K

Q

K

T

A

G

G

-

R

-

K

L

L

V

M

C

I

G

G

-

Y

-
x
R

E

S

A

R

F

F

M

Q

V

A

A

H

H

N

H

I

P

E

Q

A

W

I

A

K

Y

L

V

V

R

R

D

D

S

-

L

-

A

-

Q

-

G

G

L

A

I

L

G

G

E

P

L

V

K

R

L

T

V

V

E

V

G

T

S

D

F

H

T

G

Y
x
F

F

T

N

I

D

G

D

D

P

P

G

K

A

Q

L
x
W

K
x
R

N

L

N

N

L

R

A

A

L

L

G

A

G

G

-

S

V

L

R

M

D
|
D

I

I

G

G

V

I

Y
|
Y

P

S

V

L

V

N

T

A

A

A

R

R

L

Y

A

L

T

T

G

G

L

E

E

E

P

P

-

V

-

A

-

V

D

N

R

A

I

V

Q

E

S

S

E

T

I

D

V

R

L

S

D

D

P

P

R

R

F

F

G

G

T

E

D

-

R

-

F

-

A

-

R

-

C

-

V

V

A

E

D

D

F

I

P

I

G

N

F

F

T

Q

L

L

S

L

F

F

Y

P

C

S

G

G

T

A

Q

T

M

A

-

N

-

C

-

V

-

S

-

A

-

Y

-

S

A

V

R

N

R

C

Q

N

H

R

M

Y

M

R

F

V

H

S

G

G

T

P

K

K

G

G

W

W

L

V

S

E

V

I

D

D

A
x
P

P

A

F

T

N

-

P

-

G

-

S
|
S

Y
|
Y

G

Q

P

G

A

Q

K

A

V

M

R

R

H

A

R

Q

R

L

D

G

A

G

T

P

G

P

S

A

E

P

H

R

T

E

Q

P

E

A

F

P

S

Q

D

P

V

K

D

N

Q

Q

Y

F

Q

S

A

A

M

Q

V

L

E

D

D

H

F

L

S

S

N

E

T

C

V

I

I

L

G

T

G

G

T

R

A

E

G

P

L

I

V

V

F

G

S

G

L

-

E

D

S

D

S

G

L

L

A

K

N

D

Q

L

R

R

V

V

I

I

D

E

Q

A

I

I

L

Y

R

R

active site: K100 (= K98), Y185 (= Y182)
binding beta-D-glucopyranose: K100 (= K98), F159 (≠ Y157), D181 (= D178), Y185 (= Y182)
binding alpha-D-glucopyranose: P259 (≠ A252), S262 (= S258)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G11), L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ I15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (≠ R42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), N79 (≠ T77), L81 (≠ S79), H82 (= H80), E99 (= E97), K100 (= K98), R128 (vs. gap), W167 (≠ L165), R168 (≠ K166), Y185 (= Y182), Y263 (= Y259)

5a04A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glucose (see paper)
26% identity, 99% coverage: 4:322/322 of query aligns to 2:325/335 of 5a04A

query
sites
5a04A

R

K

V

L

R

G

W

Y

G

A

V

I

L

L

G

G

A
x
L

A
x
G

K
x
Y

I
x
Y

A

A

N

T

N

R

F

I

V

I

V

M

P

P

A

R

L

F

Q

A

R

E

S

C

R

E

N

H

G

S

R

R

V

L

T

A

M

A

V

L

A

V

S
|
S

R
x
G

D
x
T

L

P

A

E

R
x
K

A

L

Q

K

A

T

F

Y

A

G

T

E

K

Q

H

Y

D

G

I

I

A

P

R

E

V

T

S

H

-

R

-

Y

-

S

-
x
Y

A

E

S

T

Y

F

E

D

E

R

V

I

I

I

A

D

S

N

Q

P

D

D

V

V

D

D

A

I

I

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

T
x
N

A

S

S
x
L

H
|
H

F

R

E

P

W

F

C

T

K

E

K

R

A

A

L

A

L

R

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

N

N

T

T

V

A

A

E

D

V

C

E

E

E

A

L

M

I

I

A

A

L

A

R

C

D

K

Q

K

T

A

G

G

-

R

-

K

L

L

V

M

C

I

G

G

-

Y

-
x
R

E

S

A

R

F

F

M

Q

V

A

A

H

H

N

H

I

P

E

Q

A

W

I

A

K

Y

L

V

V

R

R

D

D

S

-

L

-

A

-

Q

-

G

G

L

A

I

L

G

G

E

P

L

V

K

R

L

T

V

V

E

V

G

T

S

D

F

H

T

G

Y
x
F

F

T

N

I

D

G

D

D

P

P

G

K

A

Q

L
x
W

K
x
R

N

L

N

N

L

R

A

A

L

L

G

A

G

G

-

S

V

L

R

M

D
|
D

I

I

G

G

V

I

Y
|
Y

P

S

V

L

V

N

T

A

A

A

R

R

L

Y

A

L

T

T

G

G

L

E

E

E

P

P

-

V

-

A

-

V

D

N

R

A

I

V

Q

E

S

S

E

T

I

D

V

R

L

S

D

D

P

P

R

R

F

F

G

G

T

E

D

-

R

-

F

-

A

-

R

-

C

-

V

V

A

E

D

D

F

I

P

I

G

N

F

F

T

Q

L

L

S

L

F

F

Y

P

C

S

G

G

T

A

Q

T

M

A

-

N

-

C

-

V

-

S

-

A

-

Y

-

S

A

V

R

N

R

C

Q

N

H

R

M

Y

M

R

F

V

H

S

G

G

T

P

K

K

G

G

W

W

L

V

S

E

V

I

D

D

A

P

P

A

F

T

N

-

P

-

G

-

S

S

Y
|
Y

G

Q

P

G

A

Q

K

A

V

M

R

R

H

A

R

Q

R

L

D

G

A

G

T

P

G

P

S

A

E

P

H

R

T

E

Q

P

E

A

F

P

S

Q

D

P

V

K

D

N

Q

Q

Y

F

Q

S

A

A

M

Q

V

L

E

D

D

H

F

L

S

S

N

E

T

C

V

I

I

L

G

T

G

G

T

R

A

E

G

P

L

I

V

V

F

G

S

G

L

-

E

D

S

D

S

G

L

L

A

K

N

D

Q

L

R

R

V

V

I

I

D

E

Q

A

I

I

L

Y

R

R

active site: K100 (= K98), Y185 (= Y182)
binding beta-D-glucopyranose: K100 (= K98), F159 (≠ Y157), R168 (≠ K166), D181 (= D178), Y185 (= Y182)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ I15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (≠ R42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), N79 (≠ T77), L81 (≠ S79), H82 (= H80), E99 (= E97), K100 (= K98), R128 (vs. gap), W167 (≠ L165), R168 (≠ K166), Y185 (= Y182), Y263 (= Y259)

5a03E Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
26% identity, 99% coverage: 4:322/322 of query aligns to 2:325/335 of 5a03E

query
sites
5a03E

R

K

V

L

R

G

W

Y

G

A

V

I

L

L

G
|
G

A
x
L

A
x
G

K
x
Y

I
x
Y

A

A

N

T

N

R

F

I

V

I

V

M

P

P

A

R

L

F

Q

A

R

E

S

C

R

E

N

H

G

S

R

R

V

L

T

A

M

A

V

L

A

V

S
|
S

R
x
G

D
x
T

L

P

A

E

R
x
K

A

L

Q

K

A

T

F

Y

A

G

T

E

K

Q

H

Y

D

G

I

I

A

P

R

E

V

T

S

H

-

R

-

Y

-

S

-
x
Y

A

E

S

T

Y

F

E

D

E

R

V

I

I

I

A

D

S

N

Q

P

D

D

V

V

D

D

A

I

I

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

T
x
N

A

S

S

L

H
|
H

F

R

E

P

W

F

C

T

K

E

K

R

A

A

L

A

L

R

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

N

N

T

T

V

A

A

E

D

V

C

E

E

E

A

L

M

I

I

A

A

L

A

R

C

D

K

Q

K

T

A

G

G

-

R

-

K

L

L

V

M

C

I

G

G

-

Y

-
x
R

E

S

A

R

F

F

M

Q

V

A

A
x
H

H

N

H

I

P

E

Q

A

W

I

A

K

Y

L

V

V

R

R

D

D

S

-

L

-

A

-

Q

-

G

G

L

A

I

L

G

G

E

P

L

V

K

R

L

T

V

V

E

V

G

T

S

D

F

H

T

G

Y
x
F

F

T

N

I

D

G

D

D

P

P

G

K

A

Q

L
x
W

K
x
R

N

L

N

N

L

R

A

A

L

L

G

A

G

G

-

S

V

L

R

M

D
|
D

I

I

G

G

V

I

Y
|
Y

P

S

V

L

V

N

T

A

A

A

R

R

L

Y

A

L

T

T

G

G

L

E

E

E

P

P

-

V

-

A

-

V

D

N

R

A

I

V

Q
x
E

S

S

E
x
T

I

D

V
x
R

L

S

D

D

P

P

R

R

F

F

G

G

T

E

D

-

R

-

F

-

A

-

R

-

C

-

V

V

A

E

D

D

F

I

P

I

G

N

F

F

T

Q

L

L

S

L

F

F

Y

P

C

S

G

G

T

A

Q

T

M

A

-

N

-

C

-

V

-

S

-

A

-

Y

-

S

A

V

R

N

R

C

Q

N

H

R

M

Y

M

R

F

V

H

S

G

G

T

P

K

K

G

G

W

W

L

V

S

E

V

I

D

D

A

P

P

A

F

T

N

-

P

-

G

-

S

S

Y
|
Y

G

Q

P

G

A

Q

K

A

V
x
M

R

R

H

A

R

Q

R

L

D

G

A

G

T

P

G

P

S

A

E

P

H
x
R

T
x
E

Q

P

E

A

F

P

S

Q

D

P

V

K

D

N

Q

Q

Y

F

Q

S

A

A

M

Q

V

L

E

D

D

H

F

L

S

S

N

E

T

C

V

I

I

L

G

T

G

G

T

R

A

E

G

P

L

I

V

V

F

G

S

G

L

-

E

D

S

D

S

G

L

L

A

K

N

D

Q

L

R

R

V

V

I

I

D

E

Q

A

I

I

L

Y

R

R

active site: K100 (= K98), Y185 (= Y182)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G11), L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ I15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (≠ R42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), N79 (≠ T77), H82 (= H80), E99 (= E97), K100 (= K98), R128 (vs. gap), W167 (≠ L165), R168 (≠ K166), Y185 (= Y182), Y263 (= Y259)
binding beta-D-xylopyranose: K100 (= K98), F159 (≠ Y157), R168 (≠ K166), D181 (= D178), Y185 (= Y182), E205 (≠ Q199), T207 (≠ E201), R209 (≠ V203)
binding alpha-D-xylopyranose: H134 (≠ A128), M268 (≠ V264), R279 (≠ H275), E280 (≠ T276)

5a02A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glycerol (see paper)
26% identity, 99% coverage: 4:322/322 of query aligns to 2:325/335 of 5a02A

query
sites
5a02A

R

K

V

L

R

G

W

Y

G

A

V

I

L

L

G

G

A
x
L

A
x
G

K
x
Y

I
x
Y

A

A

N

T

N

R

F

I

V

I

V

M

P

P

A

R

L

F

Q

A

R

E

S

C

R

E

N

H

G

S

R

R

V

L

T

A

M

A

V

L

A

V

S
|
S

R
x
G

D
x
T

L

P

A

E

R
x
K

A

L

Q

K

A

T

F

Y

A

G

T

E

K

Q

H

Y

D

G

I

I

A

P

R

E

V

T

S

H

-

R

-

Y

-

S

-
x
Y

A

E

S

T

Y

F

E

D

E

R

V

I

I

I

A

D

S

N

Q

P

D

D

V

V

D

D

A

I

I

V

Y

Y

I

V

P
x
I

L
x
T

P
|
P

T

N

A

S

S
x
L

H
|
H

F

R

E

P

W

F

C

T

K

E

K

R

A

A

L

A

L

R

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

N

N

T

T

V

A

A

E

D

V

C

E

E

E

A

L

M

I

I

A

A

L

A

R

C

D

K

Q

K

T

A

G

G

-

R

-

K

L

L

V

M

C

I

G

G

-

Y

-
x
R

E

S

A

R

F

F

M

Q

V

A

A

H

H

N

H

I

P

E

Q

A

W

I

A

K

Y

L

V

V

R

R

D

D

S

-

L

-

A

-

Q

-

G

G

L

A

I

L

G

G

E

P

L

V

K

R

L

T

V

V

E

V

G

T

S

D

F

H

T

G

Y

F

F

T

N

I

D

G

D

D

P

P

G

K

A

Q

L
x
W

K
x
R

N

L

N

N

L

R

A

A

L

L

G

A

G

G

-

S

V

L

R

M

D

D

I

I

G

G

V

I

Y
|
Y

P

S

V

L

V

N

T

A

A

A

R

R

L

Y

A

L

T

T

G

G

L

E

E

E

P

P

-

V

-

A

-

V

D

N

R

A

I

V

Q

E

S

S

E

T

I

D

V

R

L

S

D

D

P

P

R

R

F

F

G

G

T

E

D

-

R

-

F

-

A

-

R

-

C

-

V

V

A

E

D

D

F

I

P

I

G

N

F

F

T

Q

L

L

S

L

F

F

Y

P

C

S

G

G

T

A

Q

T

M

A

-

N

-

C

-

V

-

S

-

A

-

Y

-

S

A

V

R

N

R

C

Q

N

H

R

M

Y

M

R

F

V

H

S

G

G

T

P

K

K

G

G

W

W

L

V

S

E

V

I

D

D

A

P

P

A

F

T

N

-

P

-

G

-

S

S

Y
|
Y

G

Q

P

G

A

Q

K

A

V

M

R

R

H

A

R

Q

R

L

D

G

A

G

T

P

G

P

S

A

E

P

H

R

T

E

Q

P

E

A

F

P

S

Q

D

P

V

K

D

N

Q

Q

Y

F

Q

S

A

A

M

Q

V

L

E

D

D

H

F

L

S

S

N

E

T

C

V

I

I

L

G

T

G

G

T

R

A

E

G

P

L

I

V

V

F

G

S

G

L

-

E

D

S

D

S

G

L

L

A

K

N

D

Q

L

R

R

V

V

I

I

D

E

Q

A

I

I

L

Y

R

R

active site: K100 (= K98), Y185 (= Y182)
binding nadp nicotinamide-adenine-dinucleotide phosphate: L10 (≠ A12), G11 (≠ A13), Y12 (≠ K14), Y13 (≠ I15), S35 (= S37), G36 (≠ R38), T37 (≠ D39), K40 (≠ R42), Y58 (vs. gap), I76 (≠ P74), T77 (≠ L75), P78 (= P76), L81 (≠ S79), H82 (= H80), E99 (= E97), K100 (= K98), R128 (vs. gap), W167 (≠ L165), R168 (≠ K166), Y185 (= Y182), Y263 (= Y259)

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)
35% identity, 44% coverage: 6:146/322 of query aligns to 3:142/333 of Q2I8V6

query
sites
Q2I8V6

R

R

W

W

G

G

V

L

L

I

G

G

A
|
A

A
x
S

K
x
T

I
|
I

A
|
A

N

R

N

E

F

W

V

V

V

I

P

G

A

A

L

I

Q

-

R

R

S

A

R

T

N

G

G

G

R

E

V

V

T

V

M

S

V

M

A

M

S
|
S

R
x
T

D

S

L

A

A

E

R
|
R

A

G

Q

A

A

A

F

Y

A

A

T

T

K

E

H

N

D

G

I

I

A

G

R

K

V

S

S

V

A

T

S

S

Y

V

E

E

V

L

I

V

A

G

S

D

Q

P

D

D

V

V

D

D

A

A

I

V

Y

Y

I

V

P

S

L
x
T

P
x
T

T
x
N

A
x
E

S
x
L

H
|
H

F

R

E

E

W

Q

C

T

K

L

K

A

A

A

L

I

L

R

G

A

G

G

K

K

H

H

V

V

L

L

C

C

E
|
E

K
|
K

P

P

I

L

A

A

M

M

N

T

T

L

A

E

E

D

V

A

E

R

E

E

L

M

I

V

A

V

L

A

R

A

D

R

Q

E

T

A

G

G

L

V

V

V

C

L

G

G

E

T

A
x
N

F

H

M

H

V

L

A

R

H

N

H

A

P

A

Q

A

W

H

A

R

Y

A

V

M

R

R

D

D

S

A

L

I

A

A

Q

E

G

G

L

R

I

I

G

G

ASTI 9:12 (≠ AAKI 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 (= R42) binding
TTNELH 71:76 (≠ LPTASH 75:80) binding
EK 93:94 (= EK 97:98) binding
K94 (= K98) mutation to G: Less than 1% remaining activity.
N120 (≠ A124) binding

Sites not aligning to the query:

162:163 binding
176 D→A: Less than 1% remaining activity.
180 H→A: Less than 2% remaining activity.
206 G→I: No effect.
283 binding

2glxA Crystal structure analysis of bacterial 1,5-af reductase (see paper)
35% identity, 44% coverage: 6:146/322 of query aligns to 2:141/332 of 2glxA

query
sites
2glxA

R

R

W

W

G

G

V

L

L

I

G
|
G

A
|
A

A
x
S

K
x
T

I
|
I

A

A

N

R

N

E

F

W

V

V

V

I

P

G

A

A

L

I

Q

-

R

R

S

A

R

T

N

G

G

G

R

E

V

V

T

V

M

S

V

M

A

M

S
|
S

R
x
T

D

S

L

A

A

E

R
|
R

A

G

Q

A

A

A

F

Y

A

A

T

T

K

E

H

N

D

G

I

I

A

G

R

K

V

S

S

V

A

T

S

S

Y

V

E

E

V

L

I

V

A

G

S

D

Q

P

D

D

V

V

D

D

A

A

I

V

Y

Y

I

V

P
x
S

L
x
T

P

T

T
x
N

A

E

S

L

H
|
H

F

R

E

E

W

Q

C

T

K

L

K

A

A

A

L

I

L

R

G

A

G

G

K

K

H

H

V

V

L

L

C

C

E
|
E

K
|
K

P

P

I

L

A

A

M

M

N

T

T

L

A

E

E

D

V

A

E

R

E

E

L

M

I

V

A

V

L

A

R

A

D

R

Q

E

T

A

G

G

L

V

V

V

C

L

G

G

E

T

A

N

F

H

M
x
H

V

L

A

R

H

N

H

A

P

A

Q

A

W

H

A

R

Y

A

V

M

R

R

D

D

S

A

L

I

A

A

Q

E

G

G

L

R

I

I

G

G

active site: K93 (= K98)
binding acetate ion: K93 (= K98)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G11), A8 (= A12), S9 (≠ A13), T10 (≠ K14), I11 (= I15), S32 (= S37), T33 (≠ R38), R37 (= R42), S69 (≠ P74), T70 (≠ L75), N72 (≠ T77), H75 (= H80), E92 (= E97), K93 (= K98), H121 (≠ M126)

Sites not aligning to the query:

active site: 179
binding acetate ion: 179
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 161, 162, 282

4koaA Crystal structure analysis of 1,5-anhydro-d-fructose reductase from sinorhizobium meliloti (see paper)
35% identity, 44% coverage: 5:146/322 of query aligns to 2:142/333 of 4koaA

query
sites
4koaA

V

I

R

R

W

W

G

G

V

L

L

I

G
|
G

A
|
A

A
x
S

K
x
T

I
|
I

A

A

N

R

N

E

F

W

V

V

V

I

P

G

A

A

L

I

Q

-

R

R

S

A

R

A

N

G

G

G

R

E

V

V

T

V

M

S

V

V

A

M

S
|
S

R
x
S

D

S

L

A

A

E

R
|
R

A

G

Q

E

A

A

F

Y

A

A

T

A

K

E

H

N

D

G

I

I

A

A

R

K

V

A

S

V

A

T

S

S

Y

V

E

D

V

L

I

V

A

G

S

D

Q

P

D

D

V

V

D

D

A

A

I

V

Y

Y

I

I

P

S

L
x
T

P

T

T
x
N

A

E

S

L

H
|
H

F

H

E

G

W

Q

C

A

K

L

K

A

A

A

L

I

L

R

G

A

G

G

K

K

H

H

V

V

L

L

C

C

E

E

K
|
K

P

P

I

L

A

A

M

M

N

N

T

L

A

N

E

D

V

G

E

C

E

E

L

M

I

V

A

L

L

K

R

A

D

C

Q

E

T

A

G

G

L

V

V

V

C

L

G

G

E

T

A

N

F

H

M

H

V

L

A

R

H

N

H

A

P

A

Q

T

W

H

A

R

Y

A

V

M

R

R

D

E

S

A

L

I

A

A

Q

A

G

G

L

R

I

I

G

G

active site: K94 (= K98)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), A9 (= A12), S10 (≠ A13), T11 (≠ K14), I12 (= I15), S33 (= S37), S34 (≠ R38), R38 (= R42), T71 (≠ L75), N73 (≠ T77), H76 (= H80), K94 (= K98)

Sites not aligning to the query:

active site: 180
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 160

1rydA Crystal structure of glucose-fructose oxidoreductase from zymomonas mobilis
25% identity, 63% coverage: 4:206/322 of query aligns to 31:241/381 of 1rydA

query
sites
1rydA

R

R

V

F

R

G

W

Y

G

A

V

I

L

V

G

G

A
x
L

A
x
G

K
|
K

I
x
Y

A

A

N

L

N

N

F

Q

V

I

V

L

P

P

A

G

L

F

Q

A

R

G

S

C

R

Q

N

H

G

S

R

R

V

I

T

E

M

A

V

L

A

V

S
|
S

R
x
G

D

N

L

A

A

E

R
x
K

A

A

Q

K

A

I

F

V

A

A

T

A

K

E

H

Y

D

G

I

V

A

D

R

P

V

R

S

K

-

I

-

Y

-

D

-
x
Y

A

S

S

N

Y

F

E

D

E

K

V

I

I

A

A

K

S

D

Q

P

D

K

V

I

D

D

A

A

I

V

Y

Y

I

I

P

I

L
|
L

P
|
P

T
x
N

A

S

S
x
L

H
|
H

F

A

E

E

W

F

C

A

K

I

K

R

A

A

L

F

L

K

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

T

N

S

T

V

A

A

E

D

V

C

E

Q

E

R

L

M

I

I

A

D

L

A

R

A

D

K

Q

A

T

A

G

N

L

K

V

K

C

L

G

M

E

I

A

G

F

Y

M
x
R

V

C

A

H

H

Y

H

D

P

P

Q

M

W

N

A

R

Y

A

V

A

R

V

D

K

S

L

L

I

A

R

Q

E

G

N

L

Q

I

L

G

G

E

K

L

L

K

G

L

M

V

V

-

T

E

D

G

N

S

S

F

D

T

V

Y

M

F

D

N

Q

D

N

D

D

P

P

G
x
A

A

Q

-

Q

-
x
W

-
x
R

L

L

K

R

N

R

N

E

L

L

A

A

L

-

G

G

G

S

V

L

R

M

D

D

I

I

G

G

V

I

Y
|
Y

P

G

V

L

V

N

T

G

A

T

R

R

L

Y

A

L

T

L

G

G

L

E

E

E

P

P

D

I

R

E

I

V

Q

R

S

A

E
x
Y

I

T

V

Y

L

S

D

D

P

P

active site: K129 (= K98), Y217 (= Y182)
binding alpha-D-glucopyranose: Y236 (≠ E201)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L39 (≠ A12), G40 (≠ A13), K41 (= K14), Y42 (≠ I15), S64 (= S37), G65 (≠ R38), K69 (≠ R42), Y87 (vs. gap), L106 (= L75), P107 (= P76), N108 (≠ T77), L110 (≠ S79), H111 (= H80), E128 (= E97), K129 (= K98), R157 (≠ M126), A196 (≠ G163), W199 (vs. gap), R200 (vs. gap), Y217 (= Y182)

Sites not aligning to the query:

1h6dA Oxidized precursor form of glucose-fructose oxidoreductase from zymomonas mobilis complexed with glycerol (see paper)
25% identity, 63% coverage: 4:206/322 of query aligns to 33:243/383 of 1h6dA

query
sites
1h6dA

R

R

V

F

R

G

W

Y

G

A

V

I

L

V

G
|
G

A
x
L

A
x
G

K
|
K

I
x
Y

A

A

N

L

N

N

F

Q

V

I

V

L

P

P

A

G

L

F

Q

A

R

G

S

C

R

Q

N

H

G

S

R

R

V

I

T

E

M

A

V

L

A

V

S
|
S

R
x
G

D

N

L

A

A

E

R
x
K

A

A

Q

K

A

I

F

V

A

A

T

A

K

E

H

Y

-

G

-

V

D

D

I

P

A

R

R

K

V

I

S

Y

-

D

-
x
Y

A

S

S

N

Y

F

E

D

E

K

V

I

I

A

A

K

S

D

Q

P

D

K

V

I

D

D

A

A

I

V

Y

Y

I

I

P
x
I

L
|
L

P
|
P

T
x
N

A

S

S

L

H
|
H

F

A

E

E

W

F

C

A

K

I

K

R

A

A

L

F

L

K

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

T

N

S

T

V

A

A

E

D

V

C

E

Q

E

R

L

M

I

I

A

D

L

A

R

A

D

K

Q

A

T

A

G

N

L

K

V

K

C

L

G

M

E

I

A

G

F

Y

M
x
R

V

C

A

H

H

Y

H

D

P

P

Q

M

W

N

A

R

Y

A

V

A

R

V

D

K

S

L

L

I

A

R

Q

E

G

N

L

Q

I

L

G

G

E

K

L

L

K

G

L

M

V

V

-

T

E

D

G

N

S

S

F

D

T

V

Y

M

F

D

N

Q

D

N

D

D

P

P

G
x
A

A

Q

-

Q

-
x
W

-
x
R

L

L

K

R

N

R

N

E

L

L

A

A

L

-

G

G

G

S

V

L

R

M

D
|
D

I

I

G

G

V

I

Y
|
Y

P

G

V

L

V

N

T

G

A

T

R

R

L

Y

A

L

T

L

G

G

L

E

E

E

P

P

D

I

R

E

I

V

Q

R

S

A

E

Y

I

T

V

Y

L

S

D

D

P

P

active site: K131 (= K98), Y219 (= Y182)
binding glycerol: K131 (= K98), R202 (vs. gap), D215 (= D178), Y219 (= Y182)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G40 (= G11), L41 (≠ A12), G42 (≠ A13), K43 (= K14), Y44 (≠ I15), S66 (= S37), G67 (≠ R38), K71 (≠ R42), Y89 (vs. gap), I107 (≠ P74), L108 (= L75), P109 (= P76), N110 (≠ T77), H113 (= H80), E130 (= E97), K131 (= K98), R159 (≠ M126), A198 (≠ G163), W201 (vs. gap), R202 (vs. gap), Y219 (= Y182)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 17, 18, 19, 298

1evjA Crystal structure of glucose-fructose oxidoreductase (gfor) delta1-22 s64d (see paper)
25% identity, 63% coverage: 4:206/322 of query aligns to 2:212/340 of 1evjA

query
sites
1evjA

R

R

V

F

R

G

W

Y

G

A

V

I

L

V

G
|
G

A
x
L

A
x
G

K
|
K

I
x
Y

A

A

N

L

N

N

F

Q

V

I

V

L

P

P

A

G

L

F

Q

A

R

G

S

C

R

Q

N

H

G

S

R

R

V

I

T

E

M

A

V

L

A

V

S
x
D

R

G

D

N

L

A

A

E

R

K

A

A

Q

K

A

I

F

V

A

A

T

A

K

E

H

Y

-

G

-

V

D

D

I

P

A

R

R

K

V

I

S

Y

-

D

-

Y

A

S

S

N

Y

F

E

D

E

K

V

I

I

A

A

K

S

D

Q

P

D

K

V

I

D

D

A

A

I

V

Y

Y

I

I

P

I

L
|
L

P
|
P

T
x
N

A

S

S

L

H
|
H

F

A

E

E

W

F

C

A

K

I

K

R

A

A

L

F

L

K

G

A

G

G

K

K

H

H

V

V

L

M

C

C

E
|
E

K
|
K

P

P

I

M

A

A

M

T

N

S

T

V

A

A

E

D

V

C

E

Q

E

R

L

M

I

I

A

D

L

A

R

A

D

K

Q

A

T

A

G

N

L

K

V

K

C

L

G

M

E

I

A

G

F

Y

M
x
R

V

C

A

H

H

Y

H

D

P

P

Q

M

W

N

A

R

Y

A

V

A

R

V

D

K

S

L

L

I

A

R

Q

E

G

N

L

Q

I

L

G

G

E

K

L

L

K

G

L

M

V

V

-

T

E

D

G

N

S

S

F

D

T

V

Y

M

F

D

N

Q

D

N

D

D

P

P

G

A

A

Q

-

Q

-
x
W

-
x
R

L

L

K

R

N

R

N

E

L

L

A

A

L

-

G

G

G

S

V

L

R

M

D

D

I

I

G

G

V

I

Y
|
Y

P

G

V

L

V

N

T

G

A

T

R

R

L

Y

A

L

T

L

G

G

L

E

E

E

P

P

D

I

R

E

I

V

Q

R

S

A

E

Y

I

T

V

Y

L

S

D

D

P

P

active site: K100 (= K98), Y188 (= Y182)
binding nicotinamide-adenine-dinucleotide: G9 (= G11), L10 (≠ A12), G11 (≠ A13), K12 (= K14), Y13 (≠ I15), D35 (≠ S37), L77 (= L75), P78 (= P76), N79 (≠ T77), H82 (= H80), E99 (= E97), K100 (= K98), R128 (≠ M126), W170 (vs. gap), R171 (vs. gap), Y188 (= Y182)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 267

3e18A Crystal structure of NAD-binding protein from listeria innocua
37% identity, 40% coverage: 54:182/322 of query aligns to 50:178/348 of 3e18A

query
sites
3e18A

R

K

V

I

S

Y

A

E

S

S

Y

Y

E

E

E

A

V

V

I

L

A

A

S

D

Q

E

D

K

V

V

D

D

A

A

I

V

Y

L

I

I

P
x
A

L
x
T

P
|
P

T
x
N

A

D

S

S

H
|
H

F

K

E

E

W

L

C

A

K

I

K

S

A

A

L

L

L

E

G

A

G

G

K

K

H

H

V

V

L

V

C

C

E
|
E

K
|
K

P

P

I

V

A

T

M

M

N

T

T

S

A

-

E

-

V

-

E

E

E

D

L

L

I

L

A

A

L

I

R

M

D

D

Q

V

T

A

G

K

L

R

V

V

C

-

G

N

E

K

A

H

F

F

M

M

V

V

A

H

H

Q

H
x
N

P

R

Q

R

W

W

-

D

-

E

-

D

-

F

A

L

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H

active site: K94 (= K98), H178 (≠ Y182)
binding nicotinamide-adenine-dinucleotide: A70 (≠ P74), T71 (≠ L75), P72 (= P76), N73 (≠ T77), H76 (= H80), E93 (= E97), K94 (= K98), N122 (≠ H130), W161 (≠ L165), R162 (≠ K166), H178 (≠ Y182)

Sites not aligning to the query:

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

1zh8A Crystal structure of oxidoreductase (tm0312) from thermotoga maritima at 2.50 a resolution
27% identity, 77% coverage: 4:250/322 of query aligns to 3:256/325 of 1zh8A

query
sites
1zh8A

R

K

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G

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active site: K98 (= K98), H187 (≠ Y182)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G10 (= G11), C11 (≠ A12), G12 (≠ A13), I13 (≠ K14), A14 (≠ I15), S37 (= S37), R38 (= R38), T39 (≠ D39), H42 (≠ R42), T74 (≠ P74), L75 (= L75), P76 (= P76), L79 (≠ S79), E97 (= E97), K98 (= K98), N126 (≠ M126), Y165 (≠ A170), W170 (vs. gap), R171 (vs. gap), H187 (≠ Y182)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 276

Query Sequence

>BPHYT_RS20760 FitnessBrowser__BFirm:BPHYT_RS20760
MTDRVRWGVLGAAKIANNFVVPALQRSRNGRVTMVASRDLARAQAFATKHDIARVSASYE
EVIASQDVDAIYIPLPTASHFEWCKKALLGGKHVLCEKPIAMNTAEVEELIALRDQTGLV
CGEAFMVAHHPQWAYVRDSLAQGLIGELKLVEGSFTYFNDDPGALKNNLALGGGGVRDIG
VYPVVTARLATGLEPDRIQSEIVLDPRFGTDRFARCVADFPGFTLSFYCGTQMARRQHMM
FHGTKGWLSVDAPFNPGSYGPAKVRHRRDATGSEHTQEFSDVDQYQAMVEDFSNTVIGGT
AGLVFSLESSLANQRVIDQILR

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