SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF1627 FitnessBrowser__Marino:GFF1627 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)

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)
29% identity, 94% coverage: 1:326/348 of query aligns to 1:313/332 of B3TMR8

query
sites
B3TMR8

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17:23 (vs. 13:19, 43% identical) binding
SR 42:43 (= SR 37:38) binding
Y63 (= Y59) binding
L79 (≠ V75) binding
H84 (≠ R80) 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 (≠ W161) binding
D182 (= D181) binding
Y186 (= Y185) 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.

3rc1A Crystal structure of kijd10, a 3-ketoreductase from actinomadura kijaniata incomplex with NADP and tdp-benzene (see paper)
29% identity, 92% coverage: 6:326/348 of query aligns to 3:306/325 of 3rc1A

query
sites
3rc1A

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active site: K95 (= K98), Y179 (= Y185)
binding nadp nicotinamide-adenine-dinucleotide phosphate: C10 (≠ T13), A11 (= A14), D12 (≠ E15), I13 (= I16), S35 (= S37), R36 (= R38), Y56 (= Y59), P71 (= P74), L72 (≠ V75), P73 (= P76), H77 (≠ R80), E94 (= E97), K95 (= K98), I162 (≠ E160), R163 (≠ W161), V168 (≠ N166), D175 (= D181), Y179 (= Y185)
binding phosphate ion: H278 (vs. gap), K283 (= K303)
binding 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine: R16 (≠ K19), R17 (≠ V20), F152 (= F152), I154 (≠ F154), P155 (vs. gap), Y233 (≠ H240), T253 (= T276)

4koaA Crystal structure analysis of 1,5-anhydro-d-fructose reductase from sinorhizobium meliloti (see paper)
37% identity, 43% coverage: 6:156/348 of query aligns to 2:152/333 of 4koaA

query
sites
4koaA

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active site: K94 (= K98)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), A9 (≠ T13), S10 (≠ A14), T11 (≠ E15), I12 (= I16), S33 (= S37), S34 (≠ R38), R38 (= R42), T71 (≠ V75), N73 (≠ T77), H76 (≠ R80), K94 (= K98)

Sites not aligning to the query:

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

2poqX Dimeric dihydrodiol dehydrogenase complexed with inhibitor, isoascorbic acid (see paper)
26% identity, 57% coverage: 6:204/348 of query aligns to 2:198/331 of 2poqX

query
sites
2poqX

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binding isoascorbic acid: K155 (vs. gap)

Sites not aligning to the query:

binding isoascorbic acid: 278, 279

2o4uX Crystal structure of mammalian dimeric dihydrodiol dehydrogenase (see paper)
26% identity, 57% coverage: 6:204/348 of query aligns to 2:198/331 of 2o4uX

query
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2o4uX

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M

D

E

G

A

T

I

M

W

W

T

L

R

H

F

S

F

N

P

R

A

T

S

Q

E

D

A

I

L

E

R

Q

S

R

V

I

L

A

A

N

Q

G

G

D

T

I

L

G

G

D
|
D

V

L

R
|
R

R

V

V

A

T

R

S

A

A

E

F

F

-

G

-
x
K

-

N

-

L

T

T

F

H

K

V

A

P

P

R

N

A

K

V

E

D

W

W

Y

A

E

Q

G

A

G

G

N

-

G

-

R

-

T

-

D

-

K

-

S

-

R

-

E

-

P

-

M

-

G

G

C

A

F

L

G

L

D

D

Q

L

G

G

W

I

Y

Y

P

C

I

V

S

Q

A

F

T

I

M

S

W

M

S

V

F

F

G

G

Y

G

E

Q

L

K

P

P

E

E

R

K

V

I

Q

S

M

V

binding phosphate ion: L2 (≠ V6), S8 (≠ G12), V9 (≠ T13), A35 (≠ S37), R36 (= R38), R40 (= R42), Y57 (= Y59), N101 (vs. gap), A103 (≠ D102), D145 (= D144), R147 (= R146), K155 (vs. gap)

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)
26% identity, 57% coverage: 6:204/348 of query aligns to 3:199/334 of Q7JK39

query
sites
Q7JK39

V

L

R

R

W

W

G

G

I

I

I

V

G

S

T

V

A

G

E

L

I

I

A

S

T

S

K

D

V

F

V

T

A

A

G

V

M

L

H

Q

D

T

A

L

E

P

N

R

A

S

D

E

-

H

-

Q

V

V

A

A

V

V

A

A

S

A

R

R

S

D

L

L

D

S

R

R

A

A

Q

K

A

E

W

F

A

A

D

Q

E

K

H

H

D

D

V

I

P

P

Q

K

A

A

L

Y

G

G

S

S

Y

Y

D

E

E

E

L

L

L

A

A

K

D

D

E

P

S

N

I

V

D

E

G

V

V

A

Y

Y

I

V

P

G

V

T

P

Q

T

H

A

P

L

Q

R
x
H

N

K

E

A

W

A

I

V

K

M

K

L

A

C

A

L

R

A

A

A

G

G

K

K

H

A

V

V

Y

L

A

C

E

E

K

K

P

P

L

M

-

G

-

V

-

N

A

A

D

A

G

E

I

V

E

R

E

E

A

M

I

V

D

T

V

E

C

A

K

R

E

S

N

R

G

G

V

L

Q

F

F

L

M

M

D

E

G

A

T

I

M

W

W

T

L

R

H

F

S

F

N

P

R

A

T

S

Q

E

D

A

I

L

E

R

Q

S

R

V

I

L

A

A

N

Q

G

G

D

T

I

L

G

G

D

D

V

L

R

R

R

V

V

A

T

R

S

A

A

E

F

F

-

G

-

K

-

N

-

L

T

T

F

H

K

V

A

P

P

R

N

A

K

V

E

D

W

W

Y

A

E

Q

G

A

G

G

N

-

G

-

R

-

T

-

D

-

K

-

S

-

R

-

E

-

P

-

M

-

G

G

C

A

F

L

G

L

D

D

Q

L

G

G

W

I

Y
|
Y

P

C

I

V

S

Q

A

F

T

I

M

S

W

M

S

V

F

F

G

G

Y

G

E

Q

L

K

P

P

E

E

R

K

V

I

Q

S

M

V

H79 (≠ R80) 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 (= Y185) 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)
26% identity, 57% coverage: 6:204/348 of query aligns to 3:199/334 of Q9TQS6

query
sites
Q9TQS6

V

L

R

R

W

W

G

G

I

I

I

V

G

S

T

V

A

G

E

L

I

I

A

S

T

S

K

D

V

F

V

T

A

A

G

V

M

L

H

Q

D

T

A

L

E

P

N

R

A

S

D

E

-

H

-

Q

V

V

A

A

V

V

A

A

S

A

R

R

S

D

L

L

D

S

R

R

A

A

Q

K

A

E

W

F

A

A

D

Q

E

K

H

H

D

D

V

I

P

P

Q

K

A

A

L

Y

G

G

S

S

Y

Y

D

E

E

E

L

L

L

A

A

K

D

D

E

P

S

N

I

V

D

E

G

V

V

A

Y

Y

I

V

P

G

V

T

P

Q

T

H

A

P

L

Q

R

H

N

K

E

A

W

A

I

V

K

M

K

L

A

C

A

L

R

A

A

A

G

G

K

K

H

A

V

V

Y

L

A

C

E

E

K

K

P

P

L

M

-

G

-

V

-

N

A

A

D

A

G

E

I

V

E

R

E

E

A

M

I

V

D

T

V

E

C

A

K

R

E

S

N

R

G

G

V

L

Q

F

F

L

M

M

D

E

G

A

T

I

M

W

W

T

L

R

H

F

S

F

N

P

R

A

T

S

Q

E

D

A

I

L

E

R

Q

S

R

V

I

L

A

A

N

Q

G

G

D

T

I

L

G

G

D

D

V

L

R
|
R

R

V

V

A

T

R

S

A

A

E

F

F

-

G

-

K

-

N

-

L

T

T

F

H

K

V

A

P

P

R

N

A

K

V

E

D

W

W

Y

A

E

Q

G

A

G

G

N

-

G

-

R

-

T

-

D

-

K

-

S

-

R

-

E

-

P

-

M

-

G

G

C

A

F

L

G

L

D

D

Q

L

G

G

W

I

Y

Y

P

C

I

V

S

Q

A

F

T

I

M

S

W

M

S

V

F

F

G

G

Y

G

E

Q

L

K

P

P

E

E

R

K

V

I

Q

S

M

V

R148 (= R146) mutation to A: No effect on activity. Reduced activity and exhibits significant temperature sensitivity; when associated with A-202.

Sites not aligning to the query:

202 R→A: No effect on activity. Reduced activity and exhibits significant temperature sensitivity; when associated with A-148.

5a06A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with sorbitol (see paper)
26% identity, 56% coverage: 4:197/348 of query aligns to 2:198/336 of 5a06A

query
sites
5a06A

R
|
R

K

K

V

L

R

G

W

Y

G

A

I

I

I

L

G

G

T
x
L

A
x
G

E
x
Y

I
x
Y

A

A

T

T

K

R

V

I

A

M

G

P

-

R

M

F

H

A

D

E

A

C

E

E

N

H

A

S

D

R

V

L

V

A

A

A

V

L

A

V

S
|
S

R
x
G

S
x
T

L

P

D

E

R
x
K

A

L

Q

K

A

T

W

Y

A

G

D

E

E

Q

H

Y

D

G

V

I

P

P

Q

E

-

T

-

H

-

R

-

Y

A

S

L
x
Y

G

E

S

T

Y

F

D

D

E

R

L

I

A

D

D

N

E

P

S

D

I

V

D
|
D

G

I

V

V

Y

Y

I

V

P
x
I

V
x
T

P
|
P

T
x
N

A

S

L
|
L

R
x
H

N

R

E

P

W

F

I

T

K

E

K

R

A

A

R

R

A

A

G

G

K

K

H
|
H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

N

G

T

I

V

-

A

-

D

-

C

E

E

E

A

A

M

I

I

D

A

V

A

C

C

K

K

E

K

N

A

G

G

V
x
R

Q

K

F
x
L

M

M

D

I

G

G

T

Y

M
x
R

W

S

L

R

H

F

S

Q

N

A

R

H

T

N

Q

I

D

E

I

A

E

I

Q

K

R

L

I

V

A

R

N

D

G

G

D

A

I

L

G

G

D

P

V

V

R

R

R

T

V

V

T

V

S

T

-

D

-

H

A

G

F
|
F

T

T

F

I

K

G

A

D

P

P

N

-

K

K

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

N

K

R

S

A

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D
|
D

Q

I

G

G

W

I

Y
|
Y

P

S

I

L

S

N

A

A

T

A

M

R

W

Y

S

L

F

T

G

G

Y

E

E

E

active site: K101 (= K98), Y186 (= Y185)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L11 (≠ T13), G12 (≠ A14), Y13 (≠ E15), Y14 (≠ I16), S36 (= S37), G37 (≠ R38), T38 (≠ S39), K41 (≠ R42), Y59 (≠ L56), I77 (≠ P74), T78 (≠ V75), P79 (= P76), N80 (≠ T77), L82 (= L79), H83 (≠ R80), E100 (= E97), K101 (= K98), R129 (≠ M123), W168 (= W161), R169 (= R168), Y186 (= Y185)
binding sorbitol: R2 (= R4), D72 (= D69), H96 (= H93), K101 (= K98), R122 (≠ V116), R122 (≠ V116), L124 (≠ F118), F160 (= F152), R169 (= R168), D182 (= D181), Y186 (= Y185)

Sites not aligning to the query:

5a03C Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
26% identity, 56% coverage: 4:197/348 of query aligns to 2:198/336 of 5a03C

query
sites
5a03C

R

R

K

K

V

L

R

G

W

Y

G

A

I

I

I

L

G
|
G

T
x
L

A
x
G

E
x
Y

I
x
Y

A

A

T

T

K

R

V

I

A

M

G

P

-

R

M

F

H

A

D

E

A

C

E

E

N

H

A

S

D

R

V

L

V

A

A

A

V

L

A

V

S
|
S

R
x
G

S
x
T

L

P

D

E

R
x
K

A

L

Q

K

A

T

W

Y

A

G

D

E

E

Q

H

Y

D

G

V

I

P

P

Q

E

-

T

-

H

-

R

-

Y

A

S

L
x
Y

G

E

S

T

Y

F

D

D

E

R

L

I

A

D

D

N

E

P

S

D

I

V

D

D

G

I

V

V

Y

Y

I

V

P
x
I

V
x
T

P
|
P

T
x
N

A

S

L
|
L

R
x
H

N

R

E

P

W

F

I

T

K

E

K

R

A

A

R

R

A

A

G

G

K

K

H

H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

N

G

T

I

V

-

A

-

D

-

C

E

E

E

A

A

M

I

I

D

A

V

A

C

C

K

K

E

K

N

A

G

G

V

R

Q

K

F

L

M

M

D

I

G

G

T

Y

M
x
R

W

S

L

R

H

F

S

Q

N

A

R

H

T

N

Q

I

D

E

I

A

E

I

Q

K

R

L

I

V

A

R

N

D

G

G

D

A

I

L

G

G

D

P

V

V

R

R

R

T

V

V

T

V

S

T

-

D

-

H

A

G

F
|
F

T

T

F

I

K

G

A

D

P

P

N

-

K

K

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

N

K

R

S

A

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D
|
D

Q

I

G

G

W

I

Y
|
Y

P

S

I

L

S

N

A

A

T

A

M

R

W

Y

S

L

F

T

G

G

Y

E

E

E

active site: K101 (= K98), Y186 (= Y185)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G10 (= G12), L11 (≠ T13), G12 (≠ A14), Y13 (≠ E15), Y14 (≠ I16), S36 (= S37), G37 (≠ R38), T38 (≠ S39), K41 (≠ R42), Y59 (≠ L56), I77 (≠ P74), T78 (≠ V75), P79 (= P76), N80 (≠ T77), L82 (= L79), H83 (≠ R80), E100 (= E97), K101 (= K98), R129 (≠ M123), W168 (= W161), R169 (= R168), Y186 (= Y185)
binding beta-D-xylopyranose: K101 (= K98), F160 (= F152), R169 (= R168), D182 (= D181), Y186 (= Y185)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 264

5a05A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with maltotriose (see paper)
26% identity, 56% coverage: 4:197/348 of query aligns to 1:197/335 of 5a05A

query
sites
5a05A

R

R

K

K

V

L

R

G

W

Y

G

A

I

I

I

L

G
|
G

T
x
L

A
x
G

E
x
Y

I
x
Y

A

A

T

T

K

R

V

I

A

M

G

P

-

R

M

F

H

A

D

E

A

C

E

E

N

H

A

S

D

R

V

L

V

A

A

A

V

L

A

V

S
|
S

R
x
G

S
x
T

L

P

D

E

R
x
K

A

L

Q

K

A

T

W

Y

A

G

D

E

E

Q

H

Y

D

G

V

I

P

P

Q

E

-

T

-

H

-

R

-

Y

A

S

L
x
Y

G

E

S

T

Y

F

D

D

E

R

L

I

A

D

D

N

E

P

S

D

I

V

D

D

G

I

V

V

Y

Y

I

V

P
x
I

V
x
T

P
|
P

T
x
N

A

S

L
|
L

R
x
H

N

R

E

P

W

F

I

T

K

E

K

R

A

A

R

R

A

A

G

G

K

K

H

H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

N

G

T

I

V

-

A

-

D

-

C

E

E

E

A

A

M

I

I

D

A

V

A

C

C

K

K

E

K

N

A

G

G

V

R

Q

K

F

L

M

M

D

I

G

G

T

Y

M
x
R

W

S

L

R

H

F

S

Q

N

A

R

H

T

N

Q

I

D

E

I

A

E

I

Q

K

R

L

I

V

A

R

N

D

G

G

D

A

I

L

G

G

D

P

V

V

R

R

R

T

V

V

T

V

S

T

-

D

-

H

A

G

F
|
F

T

T

F

I

K

G

A

D

P

P

N

-

K

K

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

N

K

R

S

A

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D
|
D

Q

I

G

G

W

I

Y
|
Y

P

S

I

L

S

N

A

A

T

A

M

R

W

Y

S

L

F

T

G

G

Y

E

E

E

active site: K100 (= K98), Y185 (= Y185)
binding beta-D-glucopyranose: K100 (= K98), F159 (= F152), D181 (= D181), Y185 (= Y185)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G12), L10 (≠ T13), G11 (≠ A14), Y12 (≠ E15), Y13 (≠ I16), S35 (= S37), G36 (≠ R38), T37 (≠ S39), K40 (≠ R42), Y58 (≠ L56), I76 (≠ P74), T77 (≠ V75), P78 (= P76), N79 (≠ T77), L81 (= L79), H82 (≠ R80), E99 (= E97), K100 (= K98), R128 (≠ M123), W167 (= W161), R168 (= R168), Y185 (= Y185)

Sites not aligning to the query:

5a04A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glucose (see paper)
26% identity, 56% coverage: 4:197/348 of query aligns to 1:197/335 of 5a04A

query
sites
5a04A

R

R

K

K

V

L

R

G

W

Y

G

A

I

I

I

L

G

G

T
x
L

A
x
G

E
x
Y

I
x
Y

A

A

T

T

K

R

V

I

A

M

G

P

-

R

M

F

H

A

D

E

A

C

E

E

N

H

A

S

D

R

V

L

V

A

A

A

V

L

A

V

S
|
S

R
x
G

S
x
T

L

P

D

E

R
x
K

A

L

Q

K

A

T

W

Y

A

G

D

E

E

Q

H

Y

D

G

V

I

P

P

Q

E

-

T

-

H

-

R

-

Y

A

S

L
x
Y

G

E

S

T

Y

F

D

D

E

R

L

I

A

D

D

N

E

P

S

D

I

V

D

D

G

I

V

V

Y

Y

I

V

P
x
I

V
x
T

P
|
P

T
x
N

A

S

L
|
L

R
x
H

N

R

E

P

W

F

I

T

K

E

K

R

A

A

R

R

A

A

G

G

K

K

H

H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

N

G

T

I

V

-

A

-

D

-

C

E

E

E

A

A

M

I

I

D

A

V

A

C

C

K

K

E

K

N

A

G

G

V

R

Q

K

F

L

M

M

D

I

G

G

T

Y

M
x
R

W

S

L

R

H

F

S

Q

N

A

R

H

T

N

Q

I

D

E

I

A

E

I

Q

K

R

L

I

V

A

R

N

D

G

G

D

A

I

L

G

G

D

P

V

V

R

R

R

T

V

V

T

V

S

T

-

D

-

H

A

G

F
|
F

T

T

F

I

K

G

A

D

P

P

N

-

K

K

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

N

K

R

S

A

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D
|
D

Q

I

G

G

W

I

Y
|
Y

P

S

I

L

S

N

A

A

T

A

M

R

W

Y

S

L

F

T

G

G

Y

E

E

E

active site: K100 (= K98), Y185 (= Y185)
binding beta-D-glucopyranose: K100 (= K98), F159 (= F152), R168 (= R168), D181 (= D181), Y185 (= Y185)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L10 (≠ T13), G11 (≠ A14), Y12 (≠ E15), Y13 (≠ I16), S35 (= S37), G36 (≠ R38), T37 (≠ S39), K40 (≠ R42), Y58 (≠ L56), I76 (≠ P74), T77 (≠ V75), P78 (= P76), N79 (≠ T77), L81 (= L79), H82 (≠ R80), E99 (= E97), K100 (= K98), R128 (≠ M123), W167 (= W161), R168 (= R168), Y185 (= Y185)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 263

5a03E Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
26% identity, 56% coverage: 4:197/348 of query aligns to 1:197/335 of 5a03E

query
sites
5a03E

R

R

K

K

V

L

R

G

W

Y

G

A

I

I

I

L

G
|
G

T
x
L

A
x
G

E
x
Y

I
x
Y

A

A

T

T

K

R

V

I

A

M

G

P

-

R

M

F

H

A

D

E

A

C

E

E

N

H

A

S

D

R

V

L

V

A

A

A

V

L

A

V

S
|
S

R
x
G

S
x
T

L

P

D

E

R
x
K

A

L

Q

K

A

T

W

Y

A

G

D

E

E

Q

H

Y

D

G

V

I

P

P

Q

E

-

T

-

H

-

R

-

Y

A

S

L
x
Y

G

E

S

T

Y

F

D

D

E

R

L

I

A

D

D

N

E

P

S

D

I

V

D

D

G

I

V

V

Y

Y

I

V

P
x
I

V
x
T

P
|
P

T
x
N

A

S

L

L

R
x
H

N

R

E

P

W

F

I

T

K

E

K

R

A

A

R

R

A

A

G

G

K

K

H

H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

N

G

T

I

V

-

A

-

D

-

C

E

E

E

A

A

M

I

I

D

A

V

A

C

C

K

K

E

K

N

A

G

G

V

R

Q

K

F

L

M

M

D

I

G

G

T

Y

M
x
R

W

S

L

R

H

F

S

Q

N

A

R
x
H

T

N

Q

I

D

E

I

A

E

I

Q

K

R

L

I

V

A

R

N

D

G

G

D

A

I

L

G

G

D

P

V

V

R

R

R

T

V

V

T

V

S

T

-

D

-

H

A

G

F
|
F

T

T

F

I

K

G

A

D

P

P

N

-

K

K

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

N

K

R

S

A

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D
|
D

Q

I

G

G

W

I

Y
|
Y

P

S

I

L

S

N

A

A

T

A

M

R

W

Y

S

L

F

T

G

G

Y

E

E

E

active site: K100 (= K98), Y185 (= Y185)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G12), L10 (≠ T13), G11 (≠ A14), Y12 (≠ E15), Y13 (≠ I16), S35 (= S37), G36 (≠ R38), T37 (≠ S39), K40 (≠ R42), Y58 (≠ L56), I76 (≠ P74), T77 (≠ V75), P78 (= P76), N79 (≠ T77), H82 (≠ R80), E99 (= E97), K100 (= K98), R128 (≠ M123), W167 (= W161), R168 (= R168), Y185 (= Y185)
binding beta-D-xylopyranose: K100 (= K98), F159 (= F152), R168 (= R168), D181 (= D181), Y185 (= Y185)
binding alpha-D-xylopyranose: H134 (≠ R129)

Sites not aligning to the query:

5a02A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glycerol (see paper)
26% identity, 56% coverage: 4:197/348 of query aligns to 1:197/335 of 5a02A

query
sites
5a02A

R

R

K

K

V

L

R

G

W

Y

G

A

I

I

I

L

G

G

T
x
L

A
x
G

E
x
Y

I
x
Y

A

A

T

T

K

R

V

I

A

M

G

P

-

R

M

F

H

A

D

E

A

C

E

E

N

H

A

S

D

R

V

L

V

A

A

A

V

L

A

V

S
|
S

R
x
G

S
x
T

L

P

D

E

R
x
K

A

L

Q

K

A

T

W

Y

A

G

D

E

E

Q

H

Y

D

G

V

I

P

P

Q

E

-

T

-

H

-

R

-

Y

A

S

L
x
Y

G

E

S

T

Y

F

D

D

E

R

L

I

A

D

D

N

E

P

S

D

I

V

D

D

G

I

V

V

Y

Y

I

V

P
x
I

V
x
T

P
|
P

T

N

A

S

L
|
L

R
x
H

N

R

E

P

W

F

I

T

K

E

K

R

A

A

R

R

A

A

G

G

K

K

H

H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

N

G

T

I

V

-

A

-

D

-

C

E

E

E

A

A

M

I

I

D

A

V

A

C

C

K

K

E

K

N

A

G

G

V

R

Q

K

F

L

M

M

D

I

G

G

T

Y

M
x
R

W

S

L

R

H

F

S

Q

N

A

R

H

T

N

Q

I

D

E

I

A

E

I

Q

K

R

L

I

V

A

R

N

D

G

G

D

A

I

L

G

G

D

P

V

V

R

R

R

T

V

V

T

V

S

T

-

D

-

H

A

G

F

F

T

T

F

I

K

G

A

D

P

P

N

-

K

K

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

N

K

R

S

A

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D

D

Q

I

G

G

W

I

Y
|
Y

P

S

I

L

S

N

A

A

T

A

M

R

W

Y

S

L

F

T

G

G

Y

E

E

E

active site: K100 (= K98), Y185 (= Y185)
binding nadp nicotinamide-adenine-dinucleotide phosphate: L10 (≠ T13), G11 (≠ A14), Y12 (≠ E15), Y13 (≠ I16), S35 (= S37), G36 (≠ R38), T37 (≠ S39), K40 (≠ R42), Y58 (≠ L56), I76 (≠ P74), T77 (≠ V75), P78 (= P76), L81 (= L79), H82 (≠ R80), E99 (= E97), K100 (= K98), R128 (≠ M123), W167 (= W161), R168 (= R168), Y185 (= Y185)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 263

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, 43% coverage: 7:156/348 of query aligns to 3:152/333 of Q2I8V6

query
sites
Q2I8V6

R

R

W

W

G

G

I

L

I

I

G

G

T
x
A

A
x
S

E
x
T

I
|
I

A
|
A

T

R

K

E

V

W

V

V

A

I

G

G

M

A

H

I

D

R

A

A

E

T

N

G

A

G

D

E

V

V

A

S

V

M

A

M

S
|
S

R
x
T

S

S

L

A

D

E

R
|
R

A

G

Q

A

A

A

W

Y

A

A

D

T

E

E

H

N

D

G

V

I

P

G

Q

K

A

S

L

V

G

T

S

S

Y

V

D

E

E

E

L

L

L

V

A

G

D

D

E

P

S

D

I

V

D

D

G

A

V

V

Y

Y

I

V

P

S

V
x
T

P
x
T

T
x
N

A
x
E

L
|
L

R
x
H

N

R

E

E

W

Q

I

T

K

L

K

A

A

A

A

I

R

R

A

A

G

G

K

K

H

H

V

V

Y

L

A

C

E
|
E

K
|
K

P

P

L

L

A

A

D

M

G

T

I

L

E

E

E

D

A

A

-

R

-

E

-

M

I

V

D

V

V

A

C

A

K

R

E

E

N

A

G

G

V

V

Q

V

F

L

M

G

D

T

G
x
N

T

H

M

H

W

L

L

R

H

N

S

A

N

A

R

A

T

H

Q

R

D

A

I

M

E

R

Q

D

R

A

I

I

A

A

N

E

G

G

D

R

I

I

G

G

D

-

V

-

R

-

R

R

V

P

T

I

S

A

A

A

F

R

T

V

F

F

K

H

A

A

ASTI 9:12 (≠ TAEI 13:16) binding
S10 (≠ A14) mutation to G: Almost no effect.
A13 (= A17) 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 (≠ VPTALR 75:80) binding
EK 93:94 (= EK 97:98) binding
K94 (= K98) mutation to G: Less than 1% remaining activity.
N120 (≠ G121) 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, 43% coverage: 7:156/348 of query aligns to 2:151/332 of 2glxA

query
sites
2glxA

R

R

W

W

G

G

I

L

I

I

G
|
G

T
x
A

A
x
S

E
x
T

I
|
I

A

A

T

R

K

E

V

W

V

V

A

I

G

G

M

A

H

I

D

R

A

A

E

T

N

G

A

G

D

E

V

V

A

S

V

M

A

M

S
|
S

R
x
T

S

S

L

A

D

E

R
|
R

A

G

Q

A

A

A

W

Y

A

A

D

T

E

E

H

N

D

G

V

I

P

G

Q

K

A

S

L

V

G

T

S

S

Y

V

D

E

E

E

L

L

L

V

A

G

D

D

E

P

S

D

I

V

D

D

G

A

V

V

Y

Y

I

V

P
x
S

V
x
T

P

T

T
x
N

A

E

L

L

R
x
H

N

R

E

E

W

Q

I

T

K

L

K

A

A

A

A

I

R

R

A

A

G

G

K

K

H

H

V

V

Y

L

A

C

E
|
E

K
|
K

P

P

L

L

A

A

D

M

G

T

I

L

E

E

E

D

A

A

-

R

-

E

-

M

I

V

D

V

V

A

C

A

K

R

E

E

N

A

G

G

V

V

Q

V

F

L

M

G

D

T

G

N

T

H

M
x
H

W

L

L

R

H

N

S

A

N

A

R

A

T

H

Q

R

D

A

I

M

E

R

Q

D

R

A

I

I

A

A

N

E

G

G

D

R

I

I

G

G

D

-

V

-

R

-

R

R

V

P

T

I

S

A

A

A

F

R

T

V

F

F

K

H

A

A

active site: K93 (= K98)
binding acetate ion: K93 (= K98)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G12), A8 (≠ T13), S9 (≠ A14), T10 (≠ E15), I11 (= I16), S32 (= S37), T33 (≠ R38), R37 (= R42), S69 (≠ P74), T70 (≠ V75), N72 (≠ T77), H75 (≠ R80), E92 (= E97), K93 (= K98), H121 (≠ M123)

Sites not aligning to the query:

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

4n54A Crystal structure of scyllo-inositol dehydrogenase from lactobacillus casei with bound cofactor NAD(h) and scyllo-inositol
25% identity, 72% coverage: 4:255/348 of query aligns to 1:259/340 of 4n54A

query
sites
4n54A

R

K

K

T

V

I

R

K

W

I

G

G

I

I

I
x
V

G
|
G

T
x
L

A
x
G

E
x
R

I
x
L

-

G

-

K

-

I

-

H

A

A

T

T

K

N

V

I

V

A

A

T

G

K

M

I

H

Q

D

H

A

A

E

K

N

L

A

Q

D

A

V

A

V

T

A
x
S

V
|
V

A

V

S

P

R

A

S
x
E

L

L

D

D

R

-

A

-

Q

-

A

-

W

W

A

A

D

K

-

K

E

E

H

L

D

G

V

V

P

E

Q

E

A

V

L

F

G

E

S

D

Y

F

D

D

E

D

L

M

L

V

A

Q

D

H

E

A

S

D

I

I

D

D

G

A

V

V

Y

F

I

I

P

V

V
x
S

P
|
P

T

S

A

G

L
x
F

R
x
H

N

L

E

Q

W

Q

I

I

K

E

K

S

A

A

A

L

R

N

A

A

G

G

K

K

H

H

V

V

Y

F

A

S

E
|
E

K
|
K

P

P

L

I

A

G

D

L

G

D

I

I

E

-

E

E

A

A

I

I

D

E

-

H

-

T

-

Q

-

V

V

I

C

A

K

Q

E

H

N

A

G

N

V

L

Q

K

F

F

M

Q

D

L

G

G

T

F

M
|
M

W

R

L

R

H

F

S

D

N

D

R

S

T

Y

Q

R

D

Y

I

A

E

K

Q

Q

R

L

I

V

A

D

N

Q

G

G

D

K

I

I

G

G

D

D

V

I

R

T

R

L

V

I

T

R

S

S

A

Y

F

S

T

I

F
x
D

K

P

A

A

P

A

N

G

K

M

E

A

W

S

Y

F

E

V

G

-

N

-

G

-

R

K

T
x
F

D

A

K

T

S

S

R

A

E

N

P

S

M

G

G

G

C

L

F

F

G

L

D
|
D

Q
x
M

G

S

W

I

Y
x
H

P

D

I

I

S

D

A

V

T

I

M

R

W

W

S

F

F

T

G

G

Y

K

E

E

L

I

P

D

E

K

-

V

-

W

-

A

-

I

-

G

-

L

-

N

R

R

V

A

Q

Y

M

P

T

V

F

L

V

D

S

K

K

A

N

G

S

E

I

L

D

E

T

T

I

G

V

A

A

A

C

L

G

-

T

-

L

M

W

Q

F

L

S

E

D

D

G

K

R

T

M

M

A

A

T

I

F

L

D

V

A

A

G

G

C
x
R

E

N

L

A

A

A

H

H

R

G

S
x
Y

Q

H

V

V

E

E

T

T

-

E

-

I

V

I

G

G

D

T

A

K

G

G

L

M

I

L

R

R

I

I

active site: K96 (= K98), H183 (≠ Y185)
binding (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol: R12 (≠ E15), K96 (= K98), D156 (≠ F154), D179 (= D181), M180 (≠ Q182), H183 (≠ Y185), R238 (≠ C236), Y244 (≠ S242)
binding 1,4-dihydronicotinamide adenine dinucleotide: V8 (≠ I11), G9 (= G12), L10 (≠ T13), G11 (≠ A14), R12 (≠ E15), L13 (≠ I16), S35 (≠ A34), V36 (= V35), E40 (≠ S39), S73 (≠ V75), P74 (= P76), F77 (≠ L79), H78 (≠ R80), E95 (= E97), K96 (= K98), M125 (= M123), F167 (≠ T169)

Sites not aligning to the query:

binding 1,4-dihydronicotinamide adenine dinucleotide: 284

6o15A Crystal structure of a putative oxidoreductase yjhc from escherichia coli in complex with NAD(h) (see paper)
25% identity, 72% coverage: 6:256/348 of query aligns to 2:252/355 of 6o15A

query
sites
6o15A

V

I

R

N

W

Y

G

G

I

V

G

G

T

V

A
x
G

E
x
Y

I
x
F

A

G

T

A

K

E

V

L

V

A

A

R

G

F

M

M

H

N

D

M

A

H

E

D

N

N

A

A

D

K

V

I

V

T

A

C

V

V

A
x
Y

S
x
D

R

P

S

-

L

-

D

E

R

N

A

G

Q

E

A

N

W

I

A

A

D

R

E

E

H

L

D

Q

V

C

P

I

Q

N

A

-

L

M

G

S

S

S

Y

L

D

D

E

A

L

L

L

V

A

S

D

S

E

K

S

L

I

V

D

D

G

C

V

V

Y

I

I

V

P
x
A

V
x
T

P
|
P

T
x
N

A

Y

L

L

R
x
H

N

K

E

E

W

P

I

V

K

I

K

K

A

A

R

K

A

N

G

K

K

K

H

H

V

V

Y

F

A

C

E
|
E

K
|
K

P

P

L

I

A

A

D

L

G

S

I

Y

E

E

E

D

A

C

I

V

D

D

V

M

-

V

-

K

-

A

C

C

K

K

E

E

N

A

G

G

V

V

Q

T

F

F

M

M

D

A

G

G

T

H

M
x
I

W

M

L

N

H

F

S

F

N

N

R

G

T

V

Q

Q

D

Y

I

A

E

R

Q

K

R

L

I

I

A

K

N

E

G

G

D

V

I

I

G

G

D

E

V

I

R

L

R

S

V

C

T

H

S

T

A

-

F

-

T

-

F

-

K

-

A

-

P

-

N

K

K

R

E

N

W

G

Y

W

E

E

G

N

G

K

N

Q

G

E

R

R

T

L

D

S

-
x
W

-

K

K

K

S

M

R

K

E

E

P

Q

M

S

G

G

C

G

F

H

G

L

D

Y

Q

H

G

H

W

I

Y

H

P

E

I

L

S

D

A

C

T

V

M

Q

W

H

S

L

F

L

G

G

Y

-

E

E

L

I

P

P

E

E

R

T

V

V

Q

-

M

-

T

T

F

M

V

I

S

G

K

G

N

N

S

L

I

A

D

H

T

S

I

G

V

P

A

G

C

F

G

G

G

N

-

E

-

D

-

M

-

L

-

F

-

M

T

T

L

L

W

E

F

F

S

P

D

S

G

G

R

K

M

L

A

A

T

T

F

L

D

E

A

W

G

G

C

S

E

A

L

F

A

N

H

W

R

P

S

E

Q

H

V

Y

E

V

T

I

V

I

-

N

G

G

D

T

A

K

G

G

L

S

I

I

R

K

I

I

D

D

binding nicotinamide-adenine-dinucleotide: G10 (≠ A14), Y11 (≠ E15), F12 (≠ I16), Y32 (≠ A36), D33 (≠ S37), A67 (≠ P74), T68 (≠ V75), P69 (= P76), N70 (≠ T77), H73 (≠ R80), E90 (= E97), K91 (= K98), I119 (≠ M123), W160 (vs. gap)

1rydA Crystal structure of glucose-fructose oxidoreductase from zymomonas mobilis
23% identity, 74% coverage: 2:260/348 of query aligns to 28:295/381 of 1rydA

query
sites
1rydA

E

E

N

D

R

R

K

R

V

F

R

G

W

Y

G

A

I

I

I

V

G

G

T
x
L

A
x
G

E
x
K

I
x
Y

A

A

-

L

T

N

K

Q

V

I

V

L

A

P

G

G

M

F

H

A

D

G

A

C

E

Q

N

H

A

S

D

R

V

I

V

E

A

A

V

L

A

V

S
|
S

R
x
G

S

N

L

A

D

E

R
x
K

A

A

Q

K

A

I

W

V

A

A

D

A

E

E

H

Y

D

G

V

V

-

D

P

P

Q

R

A

K

L

I

-

Y

-

D

-
x
Y

G

S

S

N

Y

F

D

D

E

K

L

I

L

A

A

K

D

D

E

P

S

K

I

I

D

D

G

A

V

V

Y

Y

I

I

P

I

V
x
L

P
|
P

T
x
N

A

S

L
|
L

R
x
H

N

A

E

E

W

F

I

A

K

I

K

R

A

A

A

F

R

K

A

A

G

G

K

K

H

H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

T

G

S

I

V

-

A

-

D

-

C

E

Q

E

R

A

M

I

I

D

D

V

A

C

A

K

K

E

A

N

A

G

N

V

K

Q

K

F

L

M

M

D

I

G

G

T

Y

M
x
R

W

C

L

H

H

Y

S

D

N

P

R

M

T

N

Q

R

D

A

I

A

E

V

Q

K

R

L

I

I

A

R

N

E

G

N

D

Q

I

L

G

G

D

K

V

L

R

G

R

M

V

V

T

T

S

T

-

D

-

N

-

S

-

D

A

V

F

M

T

D

F

Q

K

N

A

D

P

P

N
x
A

K

Q

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

R

K

R

S

E

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D

D

Q

I

G

G

W

I

Y
|
Y

P

G

I

L

S

N

A

G

T

T

M

R

W

Y

S

L

F

L

G

G

Y

E

E

E

L

P

P

I

E

E

R

V

V

R

Q

A

M
x
Y

T

T

F

Y

V

S

S

D

K

P

N

N

S

D

I

E

D

R

T

F

I

V

V

E

A

V

C

E

G

D

G

R

T

I

L
x
I

W

W

-
x
Q

-

M

-

R

F

F

S

R

D

S

G

G

R

A

M

L

A

S

T

H

F

G

D

A

A

S

G

S

C

Y

E

S

L

T

A

T

H

T

R

T

S

S

Q

R

V

F

E

S

T

V

V

Q

G

G

D

D

A

K

G

A

L

V

I

L

R

L

I

M

D

D

D

P

L

A

V

T

G

G

active site: K129 (= K98), Y217 (= Y185)
binding alpha-D-glucopyranose: Y236 (≠ M204), I254 (≠ L222), Q256 (vs. gap)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L39 (≠ T13), G40 (≠ A14), K41 (≠ E15), Y42 (≠ I16), S64 (= S37), G65 (≠ R38), K69 (≠ R42), Y87 (vs. gap), L106 (≠ V75), P107 (= P76), N108 (≠ T77), L110 (= L79), H111 (≠ R80), E128 (= E97), K129 (= K98), R157 (≠ M123), A196 (≠ N158), W199 (= W161), R200 (= R168), Y217 (= Y185)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 296

1h6dA Oxidized precursor form of glucose-fructose oxidoreductase from zymomonas mobilis complexed with glycerol (see paper)
23% identity, 74% coverage: 2:260/348 of query aligns to 30:297/383 of 1h6dA

query
sites
1h6dA

E

E

N

D

R

R

K

R

V

F

R

G

W

Y

G

A

I

I

I

V

G
|
G

T
x
L

A
x
G

E
x
K

I
x
Y

A

A

-

L

T

N

K

Q

V

I

V

L

A

P

G

G

M

F

H

A

D

G

A

C

E

Q

N

H

A

S

D

R

V

I

V

E

A

A

V

L

A

V

S
|
S

R
x
G

S

N

L

A

D

E

R
x
K

A

A

Q

K

A

I

W

V

A

A

D

A

E

E

H

Y

D

G

V

V

-

D

P

P

Q

R

A

K

L

I

-

Y

-

D

-
x
Y

G

S

S

N

Y

F

D

D

E

K

L

I

L

A

A

K

D

D

E

P

S

K

I

I

D

D

G

A

V

V

Y

Y

I

I

P
x
I

V
x
L

P
|
P

T
x
N

A

S

L

L

R
x
H

N

A

E

E

W

F

I

A

K

I

K

R

A

A

A

F

R

K

A

A

G

G

K

K

H

H

V

V

Y

M

A

C

E
|
E

K
|
K

P

P

L

M

A

A

D

T

G

S

I

V

-

A

-

D

-

C

E

Q

E

R

A

M

I

I

D

D

V

A

C

A

K

K

E

A

N

A

G

N

V

K

Q

K

F

L

M

M

D

I

G

G

T

Y

M
x
R

W

C

L

H

H

Y

S

D

N

P

R

M

T

N

Q

R

D

A

I

A

E

V

Q

K

R

L

I

I

A

R

N

E

G

N

D

Q

I

L

G

G

D

K

V

L

R

G

R

M

V

V

T

T

S

T

-

D

-

N

-

S

-

D

A

V

F

M

T

D

F

Q

K

N

A

D

P

P

N
x
A

K

Q

E

Q

W
|
W

Y

-

E

-

G

-

N

-

G

-

R
|
R

T

L

D

R

K

R

S

E

R

L

E

A

P

G

M

G

G

G

C

S

F

L

G

M

D
|
D

Q

I

G

G

W

I

Y
|
Y

P

G

I

L

S

N

A

G

T

T

M

R

W

Y

S

L

F

L

G

G

Y

E

E

E

L

P

P

I

E

E

R

V

V

R

Q

A

M

Y

T

T

F

Y

V

S

S

D

K

P

N

N

S

D

I

E

D

R

T

F

I

V

V

E

A

V

C

E

G

D

G

R

T

I

L

I

W

W

-

Q

-

M

-

R

F

F

S

R

D

S

G

G

R

A

M

L

A

S

T

H

F

G

D

A

A

S

G

S

C

Y

E

S

L

T

A

T

H

T

R

T

S

S

Q

R

V

F

E

S

T

V

V

Q

G

G

D

D

A

K

G

A

L

V

I

L

R

L

I

M

D

D

D

P

L

A

V

T

G

G

active site: K131 (= K98), Y219 (= Y185)
binding glycerol: K131 (= K98), R202 (= R168), D215 (= D181), Y219 (= Y185)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G40 (= G12), L41 (≠ T13), G42 (≠ A14), K43 (≠ E15), Y44 (≠ I16), S66 (= S37), G67 (≠ R38), K71 (≠ R42), Y89 (vs. gap), I107 (≠ P74), L108 (≠ V75), P109 (= P76), N110 (≠ T77), H113 (≠ R80), E130 (= E97), K131 (= K98), R159 (≠ M123), A198 (≠ N158), W201 (= W161), R202 (= R168), Y219 (= Y185)

Sites not aligning to the query:

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

4nheB The crystal structure of oxidoreductase (gfo/idh/moca family) from streptococcus pneumoniae tigr4 in complex with NADP
27% identity, 55% coverage: 6:195/348 of query aligns to 3:192/326 of 4nheB

query
sites
4nheB

V

L

R

K

W

L

G

G

I

V

I

I

G

G

T
|
T

A

G

E

A

I
|
I

A

S

T

H

K

H

V

F

V

I

A

E

G

A

M

A

H

H

D

T

A

S

E

G

N

E

A

Y

D

Q

V

L

V

V

A

A

V

I

A

Y

S
|
S

R
|
R

S

K

L

L

D

E

R
x
T

A

A

Q

A

A

T

W

F

A

A

D

S

E

R

H

Y

D

-

V

-

P

-

Q

Q

A

N

L

I

G

Q

S

L

Y

F

D

D

E

Q

L

L

-

E

-

V

L

F

A

F

D

K

E

S

S

S

I

F

D

D

G

L

V

V

Y

Y

I

I

P
x
A

V
x
S

P
|
P

T
x
N

A

S

L

L

R
x
H

N

F

E

A

W

Q

I

A

K

K

K

A

A

A

A

L

R

S

A

A

G

G

K

K

H

H

V

V

Y

I

A

L

E
|
E

K
|
K

P

P

L

A

A

V

D

S

G

Q

I

P

E

Q

E

E

A

W

I

F

D

D

V

L

C

I

K

Q

-

T

-

A

-

E

E

K

N

N

G

N

V

C

Q

F

F

I

M

F

D

E

G

A

T

A

M
x
R

W

N

L

Y

H

H

S

E

N

K

R

A

T

F

Q

T

D

T

I

I

E

K

Q

N

R

F

I

L

A

A

N

D

G

K

D

Q

I

V

G

L

D

G

V

A

R

D

R

F

V

N

T

Y

S

A

A

K

F

Y

T

S

F

S

K

K

A

M

P

P

N

D

K

L

E

L

W

A

Y

G

E

Q

G

T

G

P

N
|
N

G

V

R

F

T

S

D

D

K

-

S

-

R

R

E
x
F

P

A

M

G

G

G

C

A

F

L

G

M

D

D

Q

L

G

G

W

I

Y
|
Y

P

P

I

L

S

Y

A

A

T

A

M

V

W

R

S

L

F

F

G

G

active site: K94 (= K98), Y182 (= Y185)
binding nadp nicotinamide-adenine-dinucleotide phosphate: T10 (= T13), I13 (= I16), S34 (= S37), R35 (= R38), T39 (≠ R42), A70 (≠ P74), S71 (≠ V75), P72 (= P76), N73 (≠ T77), H76 (≠ R80), E93 (= E97), K94 (= K98), R122 (≠ M123), N165 (= N166), F171 (≠ E174), Y182 (= Y185)

Query Sequence

>GFF1627 FitnessBrowser__Marino:GFF1627
MENRKVRWGIIGTAEIATKVVAGMHDAENADVVAVASRSLDRAQAWADEHDVPQALGSYD
ELLADESIDGVYIPVPTALRNEWIKKAARAGKHVYAEKPLADGIEEAIDVCKENGVQFMD
GTMWLHSNRTQDIEQRIANGDIGDVRRVTSAFTFKAPNKEWYEGGNGRTDKSREPMGCFG
DQGWYPISATMWSFGYELPERVQMTFVSKNSIDTIVACGGTLWFSDGRMATFDAGCELAH
RSQVETVGDAGLIRIDDLVGGQGRTGNFAAYGERFTGSSHYVLGDADGKDTEQEVEPCDH
VVKLVEKFSNIILTGEIDDQWPKRSLACHRVMSALFESAESNGAVISL

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