SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BPHYT_RS13880 FitnessBrowser__BFirm:BPHYT_RS13880 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)

4n54A Crystal structure of scyllo-inositol dehydrogenase from lactobacillus casei with bound cofactor NAD(h) and scyllo-inositol
39% identity, 98% coverage: 8:349/349 of query aligns to 3:338/340 of 4n54A

query
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4n54A

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active site: K96 (= K101), H183 (= H186)
binding (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol: R12 (= R17), K96 (= K101), D156 (= D161), D179 (= D182), M180 (≠ C183), H183 (= H186), R238 (= R242), Y244 (≠ N248)
binding 1,4-dihydronicotinamide adenine dinucleotide: V8 (= V13), G9 (= G14), L10 (= L15), G11 (= G16), R12 (= R17), L13 (= L18), S35 (= S40), V36 (≠ P41), E40 (= E45), S73 (≠ T78), P74 (= P79), F77 (≠ L82), H78 (= H83), E95 (= E100), K96 (= K101), M125 (= M130), F167 (= F172), F284 (= F288)

3ceaA Crystal structure of myo-inositol 2-dehydrogenase (np_786804.1) from lactobacillus plantarum at 2.40 a resolution
33% identity, 98% coverage: 8:349/349 of query aligns to 5:340/342 of 3ceaA

query
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3ceaA

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active site: K98 (= K101), H185 (= H186)
binding nicotinamide-adenine-dinucleotide: G11 (= G14), G13 (= G16), R14 (= R17), L15 (= L18), L38 (≠ P41), Q42 (≠ E45), V74 (= V77), A75 (≠ T78), P76 (= P79), T77 (≠ S80), F79 (≠ L82), H80 (= H83), M83 (≠ Q86), E97 (= E100), K98 (= K101), M127 (= M130), F169 (= F172), H185 (= H186), F286 (= F288)

3ec7A Crystal structure of putative dehydrogenase from salmonella typhimurium lt2
28% identity, 92% coverage: 8:327/349 of query aligns to 3:313/336 of 3ec7A

query
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3ec7A

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active site: K97 (= K101), H176 (= H186)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), M12 (≠ R17), I13 (≠ L18), D35 (≠ S40), I36 (≠ P41), R40 (≠ E43), T73 (≠ V77), A74 (≠ T78), S75 (≠ P79), N76 (≠ S80), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), W271 (≠ F288), Y279 (≠ F296)

4l8vA Crystal structure of a12k/d35s mutant myo-inositol dehydrogenase from bacillus subtilis with bound cofactor NADP (see paper)
25% identity, 91% coverage: 8:325/349 of query aligns to 3:311/337 of 4l8vA

query
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4l8vA

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D

C

T

T

L

V

V

H
|
H

D

E

I

I

D

D

V

V

A

L

R

H

W

W

L

L

L

V

G

N

K

D

-

D

-

Y

P

E

R

S

A

V

K

Q

R

V

V

I

F

Y

A

P

A

K

G

K

A

S

A

K

V

N

M

A

H

L

E

P

G

H

L

L

R

K

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

I

A

V

I

V

C

I

E

E

F

T

E

K

G

G

K

I

L

V

A

I

M

N

F

A

Y

E

A

I

S

Y

R

V

T

N

Q

C

A

K

H

Y

G

G

N

Y

D

D

T

I

H

Q

S

C

E

E

V

I

I

V

G

G

T

E

A

D

G

G

A

I

L

I

A

K

I

L

G

-

R

-

N

-

P

P

R

E

A

P

N

S

R

S

V

I

E

S

I

L

Y

R

D

K

A

E

T

G

G

R

I

F

R

S

N

T

E

D

C

I

T

L

P

M

N

D

F
x
W

F

Q

D

R

R

R

F

F

E

V

D

A

A

A

F
x
Y

L

D

F

V

E

E

A

I

R

Q

A

D

F

F

V

I

A

D

A

S

V

I

-

Q

-

K

R

K

G

G

G

E

V

V

G

S

A

G

S

P

A

T

A

A

Q

W

A

D

G

G

A

Y

G

I

A

A

S

A

L

V

A

T

active site: K97 (= K101), H176 (= H186)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K12 (≠ R17), I13 (≠ L18), S74 (≠ T78), W75 (≠ P79), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), W272 (≠ F288), Y280 (≠ F296)

4mjlD Crystal structure of myo-inositol dehydrogenase from lactobacillus casei in complex with NAD and d-chiro-inositol
28% identity, 86% coverage: 8:307/349 of query aligns to 3:293/339 of 4mjlD

query
sites
4mjlD

V

V

R

K

V

V

G

G

V

V

V

I

G

G

L

T

G
|
G

R
x
A

L
x
M

G

G

K

R

R

A

H

H

A

I

E

D

N

R

L

L

A

T

Y

N

R

V

V

L

P

T

G

G

A

A

S

E

L

V

V

V

A

A

A

-

C

V

S

T

P
x
D

V
x
I

E

D

E

H

E

E

R

A

A

A

W

E

A

A

-

A

-

V

R

R

E

D

A

F

L

H

P

L

A

N

P

A

R

K

L

V

Y

Y

E

P

D

D

Y

D

A

T

E

S

L

L

G

Q

D

D

R

P

E

D

V

I

D

D

A

A

V

V

W

F

L

V

V
|
V

T
x
S

P

F

S

G

L

A

H
|
H

A

E

Q

A

Q

T

I

V

V

L

D

K

A

A

L

L

R

D

A

T

G

D

K

K

H

F

V

I

F

F

C

T

E
|
E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

L

A

E

E

G

C

A

E

K

R

R

V

I

L

V

A

D

E

K

S

E

A

L

R

T

Y

K

P

S

H

K

L

K

Q

V

A

I

T

Q

I

V

G

G

F

F

M
|
M

R

R

F

Y

D

D

P

Q

S

G

Y

I

R

R

D

A

A

L

F

K

E

E

K

K

I

L

E

D

A

T

G

G

K

I

I

I

G

G

R

A

P

P

F

L

L

V

V

V

R

R

S

A

Q

S

T
x
H

A

I

D
x
N

Q

P

N

N

D

V

S

A

D

S

G

N

F

Y

F

S

V

N

R

E

F

M

A

A

A

I

T

T

S

-

G

-

I

-

F

-

L

-

D
|
D

C
x
T

T

L

V

I

H
|
H

D

E

I

I

D

D

V

E

A

M

R

H

W

W

L

L

G

D

K

D

P

E

R

Y

A

T

K

S

R

I

V

Q

F

I

A

T

-

Y

-

P

-

R

A

Q

G

S

A

A

A

E

V

V

M

R

H

N

E

E

G

G

L

L

R

H

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

L

A

A

I

T

C

L

E

T

F

T

E

K

G

K

G

G

K

T

L

V

A

I

M

Q

F

V

Y

L

A

V

S

H

R

V

T

T

Q

A

A

Q

H

Y

G

G

N
x
Y

D

E

T

V

H

K

S

L

E

E

V

V

I

I

G

G

T

E

A

T

G

G

A

E

L

L

A

Q

I

L

-

P

-

N

-

Y

G

G

R

L

N

G

P

P

-

I

-

L

R

R

A

S

N

N

R

A

V

N

E

Q

I

-

Y

-

D

-

A

-

T

-

G

-

I

-

R

Q

N

T

E

A

C

V

T

E

P

M

N

S

F
x
W

F

I

D

N

R

R

F

F

E

I

D

Q

A

A

F
x
Y

L

N

F

T

E

E

A

V

R

Q

A

E

F

F

V

I

A

D

A

E

V

V

active site: K97 (= K101)
binding (1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol: K97 (= K101), H155 (≠ T159), N157 (≠ D161), D172 (= D182), T173 (≠ C183), H176 (= H186), Y236 (≠ N248)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), V73 (= V77), S74 (≠ T78), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), D172 (= D182), W274 (≠ F288), Y282 (≠ F296)

4mioD Crystal structure of myo-inositol dehydrogenase from lactobacillus casei in complex with NAD(h) and myo-inositol
28% identity, 86% coverage: 8:307/349 of query aligns to 3:293/339 of 4mioD

query
sites
4mioD

V

V

R

K

V

V

G

G

V

V

V

I

G

G

L

T

G

G

R
x
A

L
x
M

G

G

K

R

R

A

H

H

A

I

E

D

N

R

L

L

A

T

Y

N

R

V

V

L

P

T

G

G

A

A

S

E

L

V

V

V

A

A

A

-

C

V

S

T

P
x
D

V
x
I

E

D

E

H

E

E

R

A

A

A

W

E

A

A

-

A

-

V

R

R

E

D

A

F

L

H

P

L

A

N

P

A

R

K

L

V

Y

Y

E

P

D

D

Y

D

A

T

E

S

L

L

G

Q

D

D

R

P

E

D

V

I

D

D

A

A

V

V

W

F

L

V

V

V

T
x
S

P

F

S

G

L
x
A

H
|
H

A

E

Q

A

Q

T

I

V

V

L

D

K

A

A

L

L

R

D

A

T

G

D

K

K

H

F

V

I

F

F

C

T

E
|
E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

L

A

E

E

G

C

A

E

K

R

R

V

I

L

V

A

D

E

K

S

E

A

L

R

T

Y

K

P

S

H

K

L

K

Q

V

A

I

T

Q

I

V

G

G

F

F

M
|
M

R

R

F

Y

D

D

P

Q

S

G

Y

I

R

R

D

A

A

L

F

K

E

E

K

K

I

L

E

D

A

T

G

G

K

I

I

I

G

G

R

A

P

P

F

L

L

V

V

V

R

R

S

A

Q

S

T
x
H

A

I

D
x
N

Q

P

N

N

D

V

S

A

D

S

G

N

F

Y

F

S

V

N

R

E

F

M

A

A

A

I

T

T

S

-

G

-

I

-

F

-

L

-

D
|
D

C
x
T

T

L

V

I

H
|
H

D

E

I

I

D

D

V

E

A

M

R

H

W

W

L

L

G

D

K

D

P

E

R

Y

A

T

K

S

R

I

V

Q

F

I

A

T

-

Y

-

P

-

R

A

Q

G

S

A

A

A

E

V

V

M

R

H

N

E

E

G

G

L

L

R

H

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

L

A

A

I

T

C

L

E

T

F

T

E

K

G

K

G

G

K

T

L

V

A

I

M

Q

F

V

Y

L

A

V

S

H

R

V

T

T

Q

A

A

Q

H

Y

G

G

N
x
Y

D

E

T

V

H

K

S

L

E

E

V

V

I

I

G

G

T

E

A

T

G

G

A

E

L

L

A

Q

I

L

-

P

-

N

-

Y

G

G

R

L

N

G

P

P

-

I

-

L

R

R

A

S

N

N

R

A

V

N

E

Q

I

-

Y

-

D

-

A

-

T

-

G

-

I

-

R

Q

N

T

E

A

C

V

T

E

P

M

N

S

F
x
W

F

I

D

N

R

R

F

F

E

I

D

Q

A

A

F
x
Y

L

N

F

T

E

E

A

V

R

Q

A

E

F

F

V

I

A

D

A

E

V

V

active site: K97 (= K101)
binding 1,2,3,4,5,6-hexahydroxy-cyclohexane: K97 (= K101), H155 (≠ T159), N157 (≠ D161), D172 (= D182), T173 (≠ C183), H176 (= H186), Y236 (≠ N248)
binding 1,4-dihydronicotinamide adenine dinucleotide: A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), S74 (≠ T78), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), D172 (= D182), W274 (≠ F288), Y282 (≠ F296)

4mioA Crystal structure of myo-inositol dehydrogenase from lactobacillus casei in complex with NAD(h) and myo-inositol
28% identity, 86% coverage: 8:307/349 of query aligns to 3:293/339 of 4mioA

query
sites
4mioA

V

V

R

K

V

V

G

G

V

V

V

I

G

G

L

T

G
|
G

R
x
A

L
x
M

G

G

K

R

R

A

H

H

A

I

E

D

N

R

L

L

A

T

Y

N

R

V

V

L

P

T

G

G

A

A

S

E

L

V

V

V

A

A

A

-

C

V

S

T

P
x
D

V
x
I

E

D

E

H

E

E

R

A

A

A

W

E

A

A

-

A

-

V

R

R

E

D

A

F

L

H

P

L

A

N

P

A

R

K

L

V

Y

Y

E

P

D

D

Y

D

A

T

E

S

L

L

G

Q

D

D

R

P

E

D

V

I

D

D

A

A

V

V

W

F

L

V

V

V

T
x
S

P
x
F

S

G

L

A

H
|
H

A

E

Q

A

Q

T

I

V

V

L

D

K

A

A

L

L

R

D

A

T

G

D

K

K

H

F

V

I

F

F

C

T

E
|
E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

L

A

E

E

G

C

A

E

K

R

R

V

I

L

V

A

D

E

K

S

E

A

L

R

T

Y

K

P

S

H

K

L

K

Q

V

A

I

T

Q

I

V

G

G

F

F

M

M

R

R

F

Y

D

D

P

Q

S

G

Y

I

R

R

D

A

A

L

F

K

E

E

K

K

I

L

E

D

A

T

G

G

K

I

I

I

G

G

R

A

P

P

F

L

L

V

V

V

R

R

S

A

Q

S

T

H

A

I

D

N

Q

P

N

N

D

V

S

A

D

S

G

N

F

Y

F

S

V

N

R

E

F

M

A

A

A

I

T

T

S

-

G

-

I

-

F

-

L

-

D

D

C

T

T

L

V

I

H

H

D

E

I

I

D

D

V

E

A

M

R

H

W

W

L

L

G

D

K

D

P

E

R

Y

A

T

K

S

R

I

V

Q

F

I

A

T

-

Y

-

P

-

R

A

Q

G

S

A

A

A

E

V

V

M

R

H

N

E

E

G

G

L

L

R

H

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

L

A

A

I

T

C

L

E

T

F

T

E

K

G

K

G

G

K

T

L

V

A

I

M

Q

F

V

Y

L

A

V

S

H

R

V

T

T

Q

A

A

Q

H

Y

G

G

N

Y

D

E

T

V

H

K

S

L

E

E

V

V

I

I

G

G

T

E

A

T

G

G

A

E

L

L

A

Q

I

L

-

P

-

N

-

Y

G

G

R

L

N

G

P

P

-

I

-

L

R

R

A

S

N

N

R

A

V

N

E

Q

I

-

Y

-

D

-

A

-

T

-

G

-

I

-

R

Q

N

T

E

A

C

V

T

E

P

M

N

S

F
x
W

F

I

D

N

R

R

F

F

E

I

D

Q

A

A

F
x
Y

L

N

F

T

E

E

A

V

R

Q

A

E

F

F

V

I

A

D

A

E

V

V

active site: K97 (= K101)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G16), A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), S74 (≠ T78), F75 (≠ P79), H79 (= H83), E96 (= E100), K97 (= K101), W274 (≠ F288), Y282 (≠ F296)

4minA Crystal structure of myo-inositol dehydrogenase from lactobacillus casei with bound cofactor NAD
28% identity, 86% coverage: 8:307/349 of query aligns to 3:293/339 of 4minA

query
sites
4minA

V

V

R

K

V

V

G

G

V

V

V

I

G

G

L

T

G
|
G

R
x
A

L
x
M

G

G

K

R

R

A

H

H

A

I

E

D

N

R

L

L

A

T

Y

N

R

V

V

L

P

T

G

G

A

A

S

E

L

V

V

V

A

A

A

-

C

V

S

T

P
x
D

V
x
I

E

D

E

H

E

E

R

A

A

A

W

E

A

A

-

A

-

V

R

R

E

D

A

F

L

H

P

L

A

N

P

A

R

K

L

V

Y

Y

E

P

D

D

Y

D

A

T

E

S

L

L

G

Q

D

D

R

P

E

D

V

I

D

D

A

A

V

V

W

F

L

V

V
|
V

T
x
S

P
x
F

S

G

L

A

H
|
H

A

E

Q

A

Q

T

I

V

V

L

D

K

A

A

L

L

R

D

A

T

G

D

K

K

H

F

V

I

F

F

C

T

E
|
E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

L

A

E

E

G

C

A

E

K

R

R

V

I

L

V

A

D

E

K

S

E

A

L

R

T

Y

K

P

S

H

K

L

K

Q

V

A

I

T

Q

I

V

G

G

F

F

M

M

R

R

F

Y

D

D

P

Q

S

G

Y

I

R

R

D

A

A

L

F

K

E

E

K

K

I

L

E

D

A

T

G

G

K

I

I

I

G

G

R

A

P

P

F

L

L

V

V

V

R

R

S

A

Q

S

T

H

A

I

D

N

Q

P

N

N

D

V

S

A

D

S

G

N

F

Y

F

S

V

N

R

E

F

M

A

A

A

I

T

T

S

-

G

-

I

-

F

-

L

-

D

D

C

T

T

L

V

I

H

H

D

E

I

I

D

D

V

E

A

M

R

H

W

W

L

L

G

D

K

D

P

E

R

Y

A

T

K

S

R

I

V

Q

F

I

A

T

-

Y

-

P

-

R

A

Q

G

S

A

A

A

E

V

V

M

R

H

N

E

E

G

G

L

L

R

H

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

L

A

A

I

T

C

L

E

T

F

T

E

K

G

K

G

G

K

T

L

V

A

I

M

Q

F

V

Y

L

A

V

S

H

R

V

T

T

Q

A

A

Q

H

Y

G

G

N

Y

D

E

T

V

H

K

S

L

E

E

V

V

I

I

G

G

T

E

A

T

G

G

A

E

L

L

A

Q

I

L

-

P

-

N

-

Y

G

G

R

L

N

G

P

P

-

I

-

L

R

R

A

S

N

N

R

A

V

N

E

Q

I

-

Y

-

D

-

A

-

T

-

G

-

I

-

R

Q

N

T

E

A

C

V

T

E

P

M

N

S

F

W

F

I

D

N

R

R

F

F

E

I

D

Q

A

A

F
x
Y

L

N

F

T

E

E

A

V

R

Q

A

E

F

F

V

I

A

D

A

E

V

V

active site: K97 (= K101)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), V73 (= V77), S74 (≠ T78), F75 (≠ P79), H79 (= H83), E96 (= E100), K97 (= K101), Y282 (≠ F296)

3nt5A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor and product inosose (see paper)
24% identity, 91% coverage: 8:325/349 of query aligns to 3:311/337 of 3nt5A

query
sites
3nt5A

V

L

R

R

V

I

G

G

V

V

V

I

G
|
G

L

T

G
|
G

R
x
A

L
x
I

G

G

K

K

R

E

H

H

A

I

E

N

N

R

L

I

A

T

Y

N

R

K

V

L

P

S

G

G

A

A

S

E

L

I

V

V

A

A

A

V

C

T

S
x
D

P
x
V

V

N

E

Q

E

E

-

A

E

Q

R

K

A

V

W

V

A

E

R

Q

E

Y

A

Q

L

L

P

N

A

A

P

-

R

T

L

V

Y

Y

E

P

D

N

Y

D

A

D

E

S

L

L

G

A

D

D

R

E

E

N

V

V

D

D

A

A

V

V

W

L

L

V

V

T

T
x
S

P
x
W

S
x
G

S

P

L

A

H

H

A

E

Q

S

I

V

V

L

D

K

A

A

L

I

R

K

A

A

G

Q

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

A

A

E

E

G

C

C

E

M

R

R

V

I

L

V

A

E

E

E

S

E

A

I

R

K

Y

V

P

G

H

K

L

R

Q

L

A

V

T

Q

I

V

G

G

F

F

M

M

R

R

F

Y

D

D

P

S

S

G

Y

Y

R

V

D

Q

A

L

F

K

E

E

K

A

I

L

E

D

A

N

G

H

K

V

I

I

G

G

R

E

P

P

F

L

L

M

V

I

R

H

S

C

Q

A

T
x
H

A

R

D

N

Q

P

N

T

D

V

S

G

D

D

G

N

F

Y

F

T

V

T

R

D

F

M

A

A

A

V

T

-

S

-

G

-

I

-

F

-

L

V

D

D

C

T

T

L

V

V

H
|
H

D

E

I

I

D

D

V

V

A

L

R

H

W

W

L

L

L

V

G

N

K

D

-

D

-

Y

P

E

R

S

A

V

K

Q

R

V

V

I

F

Y

A

P

A

K

G

K

A

S

A

K

V

N

M

A

H

L

E

P

G

H

L

L

R

K

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

I

A

V

I

V

C

I

E

E

F

T

E

K

G

G

K

I

L

V

A

I

M

N

F

A

Y

E

A

I

S

Y

R

V

T

N

Q

C

A

K

H

Y

G

G

N
x
Y

D

D

T

I

H

Q

S

C

E

E

V

I

I

V

G

G

T

E

A

D

G

G

A

I

L

I

A

K

I

L

G

-

R

-

N

-

P

P

R

E

A

P

N

S

R

S

V

I

E

S

I

L

Y

R

D

K

A

E

T

G

G

R

I

F

R

S

N

T

E

D

C

I

T

L

P

M

N

D

F

W

F

Q

D

R

R

R

F

F

E

V

D

A

A

A

F
x
Y

L

D

F

V

E

E

A

I

R

Q

A

D

F

F

V

I

A

D

A

S

V

I

-

Q

-

K

R

K

G

G

G

E

V

V

G

S

A

G

S

P

A

T

A

A

Q

W

A

D

G

G

A

Y

G

I

A

A

S

A

L

V

A

T

active site: K97 (= K101), H176 (= H186)
binding (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone: K97 (= K101), H155 (≠ T159), H176 (= H186), Y235 (≠ N248)
binding nicotinamide-adenine-dinucleotide: G9 (= G14), G11 (= G16), A12 (≠ R17), I13 (≠ L18), D35 (≠ S40), V36 (≠ P41), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), E96 (= E100), K97 (= K101), Y280 (≠ F296)

3nt4A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor nadh and inositol (see paper)
24% identity, 91% coverage: 8:325/349 of query aligns to 3:311/337 of 3nt4A

query
sites
3nt4A

V

L

R

R

V

I

G

G

V

V

V

I

G

G

L

T

G
|
G

R
x
A

L
x
I

G

G

K

K

R

E

H

H

A

I

E

N

N

R

L

I

A

T

Y

N

R

K

V

L

P

S

G

G

A

A

S

E

L

I

V

V

A

A

A

V

C

T

S
x
D

P
x
V

V

N

E

Q

E

E

-

A

E

Q

R

K

A

V

W

V

A

E

R

Q

E

Y

A

Q

L

L

P

N

A

A

P

-

R

T

L

V

Y

Y

E

P

D

N

Y

D

A

D

E

S

L

L

G

A

D

D

R

E

E

N

V

V

D

D

A

A

V

V

W

L

L

V

V

T

T
x
S

P
x
W

S
x
G

S

P

L

A

H

H

A

E

Q

S

I

V

V

L

D

K

A

A

L

I

R

K

A

A

G

Q

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

A

A

E

E

G

C

C

E

M

R

R

V

I

L

V

A

E

E

E

S

E

A

I

R

K

Y

V

P

G

H

K

L

R

Q

L

A

V

T

Q

I

V

G

G

F

F

M

M

R

R

F

Y

D

D

P

S

S

G

Y

Y

R

V

D

Q

A

L

F

K

E

E

K

A

I

L

E

D

A

N

G

H

K

V

I

I

G

G

R

E

P

P

F

L

L

M

V

I

R

H

S

C

Q

A

T
x
H

A

R

D

N

Q

P

N

T

D

V

S

G

D

D

G

N

F

Y

F

T

V

T

R

D

F

M

A

A

A

V

T

-

S

-

G

-

I

-

F

-

L

V

D

D

C

T

T

L

V

V

H
|
H

D

E

I

I

D

D

V

V

A

L

R

H

W

W

L

L

L

V

G

N

K

D

-

D

-

Y

P

E

R

S

A

V

K

Q

R

V

V

I

F

Y

A

P

A

K

G

K

A

S

A

K

V

N

M

A

H

L

E

P

G

H

L

L

R

K

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

I

A

V

I

V

C

I

E

E

F

T

E

K

G

G

K

I

L

V

A

I

M

N

F

A

Y

E

A

I

S

Y

R

V

T

N

Q

C

A

K

H

Y

G

G

N
x
Y

D

D

T

I

H

Q

S

C

E

E

V

I

I

V

G

G

T

E

A

D

G

G

A

I

L

I

A

K

I

L

G

-

R

-

N

-

P

P

R

E

A

P

N

S

R

S

V

I

E

S

I

L

Y

R

D

K

A

E

T

G

G

R

I

F

R

S

N

T

E

D

C

I

T

L

P

M

N

D

F
x
W

F

Q

D

R

R

R

F

F

E

V

D

A

A

A

F

Y

L

D

F

V

E

E

A

I

R

Q

A

D

F

F

V

I

A

D

A

S

V

I

-

Q

-

K

R

K

G

G

G

E

V

V

G

S

A

G

S

P

A

T

A

A

Q

W

A

D

G

G

A

Y

G

I

A

A

S

A

L

V

A

T

active site: K97 (= K101), H176 (= H186)
binding 1,2,3,4,5,6-hexahydroxy-cyclohexane: H155 (≠ T159), H176 (= H186), Y235 (≠ N248), W272 (≠ F288)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G16), A12 (≠ R17), I13 (≠ L18), D35 (≠ S40), V36 (≠ P41), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), E96 (= E100), K97 (= K101), H176 (= H186)

3nt2B Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor (see paper)
24% identity, 91% coverage: 8:325/349 of query aligns to 3:311/337 of 3nt2B

query
sites
3nt2B

V

L

R

R

V

I

G

G

V

V

V

I

G
|
G

L

T

G
|
G

R
x
A

L

I

G

G

K

K

R

E

H

H

A

I

E

N

N

R

L

I

A

T

Y

N

R

K

V

L

P

S

G

G

A

A

S

E

L

I

V

V

A

A

A

V

C

T

S
x
D

P
x
V

V

N

E

Q

E

E

-

A

E

Q

R

K

A

V

W

V

A

E

R

Q

E

Y

A

Q

L

L

P

N

A

A

P

-

R

T

L

V

Y

Y

E

P

D

N

Y

D

A

D

E

S

L

L

G

A

D

D

R

E

E

N

V

V

D

D

A

A

V

V

W

L

L

V

V

T

T
x
S

P
x
W

S

G

S

P

L
x
A

H

H

A

E

Q

S

I

V

V

L

D

K

A

A

L

I

R

K

A

A

G

Q

K

K

H

Y

V

V

F

F

C

C

E

E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

A

A

E

E

G

C

C

E

M

R

R

V

I

L

V

A

E

E

E

S

E

A

I

R

K

Y

V

P

G

H

K

L

R

Q

L

A

V

T

Q

I

V

G

G

F

F

M

M

R

R

F

Y

D

D

P

S

S

G

Y

Y

R

V

D

Q

A

L

F

K

E

E

K

A

I

L

E

D

A

N

G

H

K

V

I

I

G

G

R

E

P

P

F

L

L

M

V

I

R

H

S

C

Q

A

T

H

A

R

D

N

Q

P

N

T

D

V

S

G

D

D

G

N

F

Y

F

T

V

T

R

D

F

M

A

A

A

V

T

-

S

-

G

-

I

-

F

-

L

V

D

D

C

T

T

L

V

V

H
|
H

D

E

I

I

D

D

V

V

A

L

R

H

W

W

L

L

L

V

G

N

K

D

-

D

-

Y

P

E

R

S

A

V

K

Q

R

V

V

I

F

Y

A

P

A

K

G

K

A

S

A

K

V

N

M

A

H

L

E

P

G

H

L

L

R

K

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

I

A

V

I

V

C

I

E

E

F

T

E

K

G

G

K

I

L

V

A

I

M

N

F

A

Y

E

A

I

S

Y

R

V

T

N

Q

C

A

K

H

Y

G

G

N

Y

D

D

T

I

H

Q

S

C

E

E

V

I

I

V

G

G

T

E

A

D

G

G

A

I

L

I

A

K

I

L

G

-

R

-

N

-

P

P

R

E

A

P

N

S

R

S

V

I

E

S

I

L

Y

R

D

K

A

E

T

G

G

R

I

F

R

S

N

T

E

D

C

I

T

L

P

M

N

D

F
x
W

F

Q

D

R

R

R

F

F

E

V

D

A

A

A

F
x
Y

L

D

F

V

E

E

A

I

R

Q

A

D

F

F

V

I

A

D

A

S

V

I

-

Q

-

K

R

K

G

G

G

E

V

V

G

S

A

G

S

P

A

T

A

A

Q

W

A

D

G

G

A

Y

G

I

A

A

S

A

L

V

A

T

active site: K97 (= K101), H176 (= H186)
binding 1,4-dihydronicotinamide adenine dinucleotide: G9 (= G14), G11 (= G16), A12 (≠ R17), D35 (≠ S40), V36 (≠ P41), S74 (≠ T78), W75 (≠ P79), A78 (≠ L82), K97 (= K101), W272 (≠ F288), Y280 (≠ F296)

3nt2A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor (see paper)
24% identity, 91% coverage: 8:325/349 of query aligns to 3:311/337 of 3nt2A

query
sites
3nt2A

V

L

R

R

V

I

G

G

V

V

V

I

G
|
G

L

T

G
|
G

R
x
A

L
x
I

G

G

K

K

R

E

H

H

A

I

E

N

N

R

L

I

A

T

Y

N

R

K

V

L

P

S

G

G

A

A

S

E

L

I

V

V

A

A

A

V

C

T

S
x
D

P
x
V

V

N

E

Q

E

E

-

A

E

Q

R

K

A

V

W

V

A

E

R

Q

E

Y

A

Q

L

L

P

N

A

A

P

-

R

T

L

V

Y

Y

E

P

D

N

Y

D

A

D

E

S

L

L

G

A

D

D

R

E

E

N

V

V

D

D

A

A

V

V

W

L

L

V

V

T

T
x
S

P
x
W

S
x
G

S

P

L
x
A

H
|
H

A

E

Q

S

I

V

V

L

D

K

A

A

L

I

R

K

A

A

G

Q

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

L

L

S

A

L

T

D

T

L

A

A

E

E

G

C

C

E

M

R

R

V

I

L

V

A

E

E

E

S

E

A

I

R

K

Y

V

P

G

H

K

L

R

Q

L

A

V

T

Q

I

V

G

G

F

F

M

M

R

R

F

Y

D

D

P

S

S

G

Y

Y

R

V

D

Q

A

L

F

K

E

E

K

A

I

L

E

D

A

N

G

H

K

V

I

I

G

G

R

E

P

P

F

L

L

M

V

I

R

H

S

C

Q

A

T

H

A

R

D

N

Q

P

N

T

D

V

S

G

D

D

G

N

F

Y

F

T

V

T

R

D

F

M

A

A

A

V

T

-

S

-

G

-

I

-

F

-

L

V

D

D

C

T

T

L

V

V

H
|
H

D

E

I

I

D

D

V

V

A

L

R

H

W

W

L

L

L

V

G

N

K

D

-

D

-

Y

P

E

R

S

A

V

K

Q

R

V

V

I

F

Y

A

P

A

K

G

K

A

S

A

K

V

N

M

A

H

L

E

P

G

H

L

L

R

K

E

-

F

-

G

-

D

-

V

-

D

D

N

P

G

Q

V

I

A

V

I

V

C

I

E

E

F

T

E

K

G

G

K

I

L

V

A

I

M

N

F

A

Y

E

A

I

S

Y

R

V

T

N

Q

C

A

K

H

Y

G

G

N

Y

D

D

T

I

H

Q

S

C

E

E

V

I

I

V

G

G

T

E

A

D

G

G

A

I

L

I

A

K

I

L

G

-

R

-

N

-

P

P

R

E

A

P

N

S

R

S

V

I

E

S

I

L

Y

R

D

K

A

E

T

G

G

R

I

F

R

S

N

T

E

D

C

I

T

L

P

M

N

D

F

W

F

Q

D

R

R

R

F

F

E

V

D

A

A

A

F
x
Y

L

D

F

V

E

E

A

I

R

Q

A

D

F

F

V

I

A

D

A

S

V

I

-

Q

-

K

R

K

G

G

G

E

V

V

G

S

A

G

S

P

A

T

A

A

Q

W

A

D

G

G

A

Y

G

I

A

A

S

A

L

V

A

T

active site: K97 (= K101), H176 (= H186)
binding nicotinamide-adenine-dinucleotide: G9 (= G14), G11 (= G16), A12 (≠ R17), I13 (≠ L18), D35 (≠ S40), V36 (≠ P41), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), H176 (= H186), Y280 (≠ F296)

4koaA Crystal structure analysis of 1,5-anhydro-d-fructose reductase from sinorhizobium meliloti (see paper)
33% identity, 76% coverage: 8:271/349 of query aligns to 2:259/333 of 4koaA

query
sites
4koaA

V

I

R

R

V

W

G

G

V

L

V

I

G
|
G

L
x
A

G
x
S

R
x
T

L
x
I

G

A

K

R

R

E

H

W

A

V

E

I

N

G

L

-

A

A

Y

I

R

R

V

A

P

A

G

G

A

G

S

E

L

V

V

V

A

S

A

V

-

M

C
x
S

S
|
S

P

S

V

A

E

E

E
x
R

E

G

R

E

A

A

W

Y

A

A

R

A

E

E

A

N

L

G

P

I

A

A

P

-

R

K

L

A

Y

V

E

T

D

S

Y

V

A

D

E

D

L

L

L

V

G

G

D

D

R

P

E

D

V

V

D

D

A

A

V

V

W

Y

L

I

V

S

T
|
T

P

T

S
x
N

S

E

L

L

H
|
H

A

H

Q

G

Q

Q

I

A

V

L

D

A

A

A

L

I

R

R

A

A

G

G

K

K

H

H

V

V

F

L

C

C

E

E

K
|
K

P

P

L

L

S

A

L

M

D

N

L

L

A

N

E

D

-

G

C

C

E

E

R

M

V

V

L

L

A

-

E

K

S

A

A

C

R

E

Y

A

P

G

H

V

L

V

Q

L

A

G

T

T

I

N

G

H

F

H

M

L

R

R

R

N

F

A

D

-

P

A

S

T

Y

H

R

R

D

A

A

M

F

R

E

E

K

A

I

I

E

A

A

A

G

G

K

R

I

I

G

G

R

R

P

P

F

I

L

A

V

A

R

R

S

V

Q

F

T

H

A

A

D

V

Q

Y

-

L

-

P

N

P

D

H

S

L

D
x
Q

G

G

F

W

F

R

V

L

R

D

F

K

A

P

A

E

T

A

S

G

G

G

I

V

F

I

L

L

D

D

C

I

T

T

V

V

H
|
H

D

D

I

A

D

D

V

T

A

L

R

R

W

F

L

V

L

L

G

N

-

D

K

D

P

P

R

I

A

E

K

A

R

V

V

A

F

I

A

S

A

H

G

S

A

A

A

G

V

M

M

G

H

K

E

E

G

G

L

L

R

E

E

-

F

-

G

-

D

-

V

-

D

D

N

G

G

V

V

M

A

G

I

V

C

L

E

R

F

F

E

R

G

S

G

G

K

V

L

I

A

A

M

Q

F

F

Y

H

A

D

S

A

R

F

T

T

Q

T

A

K

H

F

G

A

N

-

D

E

T

T

H

G

S

L

E

E

V

V

I

H

G

G

T

T

A

A

G

G

A

S

L

L

A

-

I

I

G

G

R

R

N

N

P

V

R

M

A

T

N

Q

R

R

active site: K94 (= K101), H180 (= H186)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G14), A9 (≠ L15), S10 (≠ G16), T11 (≠ R17), I12 (≠ L18), S33 (≠ C39), S34 (= S40), R38 (≠ E44), T71 (= T78), N73 (≠ S80), H76 (= H83), K94 (= K101), Q160 (≠ D166)

2glxA Crystal structure analysis of bacterial 1,5-af reductase (see paper)
36% identity, 58% coverage: 64:266/349 of query aligns to 56:253/332 of 2glxA

query
sites
2glxA

E

E

L

L

L

V

G

G

D

D

R

P

E

D

V

V

D

D

A

A

V

V

W

Y

L

V

V
x
S

T
|
T

P

T

S
x
N

S

E

L

L

H
|
H

A

R

Q

E

Q

Q

I

T

V

L

D

A

A

A

L

I

R

R

A

A

G

G

K

K

H

H

V

V

F

L

C

C

E
|
E

K
|
K

P

P

L

L

S

A

L

M

D

T

L

L

A

-

E

E

C

D

E

A

R

R

V

E

L

M

A

V

E

V

S

A

A

A

R

R

Y

E

P

A

H

G

L

V

Q

V

A

L

T

G

I

T

G

N

F

H

M
x
H

R

L

R

R

F

N

D

A

P

A

S

A

Y

H

R

R

D

A

A

M

F

R

E

D

K

A

I

I

E

A

A

E

G

G

K

R

I

I

G

G

R

R

P

P

F

I

L

A

V

A

R

R

S

V

Q

F

T

H

A

A

D

V

-

Y

-

L

Q

P

N

P

D

H

S

L

D

Q

G

G

F
x
W

F
x
R

V

L

R

E

F

R

A

P

A

E

T

A

S

G

G

G

I

V

F

I

L

L

D

D

C

I

T

T

V

V

H
|
H

D

D

I

A

D

D

V

T

A

L

R

R

W

F

L

V

L

L

G

N

K

D

P

D

R

P

A

A

K

E

R

A

V

V

F

-

A

-

G

-

A

-

A

A

V

I

M

S

H

H

E

S

-

A

G

G

L

M

R

G

E

K

F

E

G

G

D

V

V

E

D

D

N

G

G

V

V

M

A

G

I

V

C

L

E

R

F

F

E

Q

G

S

G

G

K

V

L

I

A

A

M

Q

F

F

Y

H

A

D

S

A

R

F

T

T

Q

T

A

K

H

F

G

A

N

-

D

E

T

T

H

G

S

F

E

E

V

V

I

H

G

G

T

T

A

E

G

G

A

S

L

L

A

-

I

I

G

G

R

R

N

N

active site: K93 (= K101), H179 (= H186)
binding acetate ion: K93 (= K101), H179 (= H186)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: S69 (≠ V77), T70 (= T78), N72 (≠ S80), H75 (= H83), E92 (= E100), K93 (= K101), H121 (≠ M130), W161 (≠ F168), R162 (≠ F169)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 7, 8, 9, 10, 11, 32, 33, 37, 282

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)
36% identity, 58% coverage: 64:266/349 of query aligns to 57:254/333 of Q2I8V6

query
sites
Q2I8V6

E

E

L

L

L

V

G

G

D

D

R

P

E

D

V

V

D

D

A

A

V

V

W

Y

L

V

V

S

T
|
T

P
x
T

S
x
N

S
x
E

L
|
L

H
|
H

A

R

Q

E

Q

Q

I

T

V

L

D

A

A

A

L

I

R

R

A

A

G

G

K

K

H

H

V

V

F

L

C

C

E
|
E

K
|
K

P

P

L

L

S

A

L

M

D

T

L

L

A

-

E

E

C

D

E

A

R

R

V

E

L

M

A

V

E

V

S

A

A

A

R

R

Y

E

P

A

H

G

L

V

Q

V

A

L

T

G

I

T

G
x
N

F

H

M

H

R

L

R

R

F

N

D

A

P

A

S

A

Y

H

R

R

D

A

A

M

F

R

E

D

K

A

I

I

E

A

A

E

G

G

K

R

I

I

G

G

R

R

P

P

F

I

L

A

V

A

R

R

S

V

Q

F

T

H

A

A

D

V

-

Y

-

L

Q

P

N

P

D

H

S

L

D

Q

G

G

F
x
W

F
x
R

V

L

R

E

F

R

A

P

A

E

T

A

S

G

G

G

I

V

F

I

L

L

D
|
D

C

I

T

T

V

V

H
|
H

D

D

I

A

D

D

V

T

A

L

R

R

W

F

L

V

L

L

G

N

K

D

P

D

R

P

A

A

K

E

R

A

V

V

F

-

A

-

G

-

A

-

A

A

V

I

M

S

H

H

E

S

-

A

G

G

L

M

R
x
G

E

K

F

E

G

G

D

V

V

E

D

D

N

G

G

V

V

M

A

G

I

G

C

V

E

R

F

F

E

Q

G

S

G

G

K

V

L

I

A

A

M

Q

F

F

Y

H

A

D

S

A

R

F

T

T

Q

T

A

K

H

F

G

A

N

-

D

E

T

T

H

G

S

F

E

E

V

V

I

H

G

G

T

T

A

E

G

G

A

S

L

L

A

-

I

I

G

G

R

R

N

N

TTNELH 71:76 (≠ TPSSLH 78:83) binding
EK 93:94 (= EK 100:101) binding
K94 (= K101) mutation to G: Less than 1% remaining activity.
N120 (≠ G128) binding
WR 162:163 (≠ FF 168:169) binding
D176 (= D182) mutation to A: Less than 1% remaining activity.
H180 (= H186) mutation to A: Less than 2% remaining activity.
G206 (≠ R216) mutation to I: No effect.

Sites not aligning to the query:

9:12 binding
10 S→G: Almost no effect.
13 A→G: Can use NAD as cosubstrate as well as NADP.
33 S→D: No activity.
33:34 binding
38 binding
283 binding

6jw6A The crystal structure of kand2 in complex with NAD (see paper)
31% identity, 82% coverage: 8:293/349 of query aligns to 2:272/341 of 6jw6A

query
sites
6jw6A

V

V

R

R

V

V

G

G

V

V

G

G

L

A

G
|
G

R
x
F

L
x
M

G

G

K

G

R

V

H

H

A

A

E

E

N

V

L

V

A

A

Y

A

R

H

V

-

P

P

G

G

A

A

S

R

L

L

V

E

A

A

A

V

C

H

S

-

P

-

V

-

E
x
D

E
x
L

E

D

R

P

A

A

W

A

A

A

R

R

-

D

-

L

-

A

E

E

A

R

L

F

P

R

A

A

P

E

R

R

L

A

Y

E

E

P

D

S

Y

W

A

A

E

D

L

L

G

A

D

D

R

P

E

A

V

I

D

D

A

L

V

L

W

I

L

I

V
x
T

T
|
T

P
|
P

S
x
N

S

G

L
|
L

H
|
H

A

H

Q

R

Q
|
Q

I

A

V

A

D

E

A

A

L

L

R

R

A

A

G

G

K

K

H

H

V

V

F

L

C

V

E
|
E

K
|
K

P

P

L

L

S

G

L

V

-

T

-

P

-

E

-

Q

-

V

-

A

D

E

L

L

A

V

E

E

C

L

-

A

-

G

-

R

-

H

E

D

R

R

V

V

L

L

A

A

E

H

S

G

A

S

R
x
N

Y

F

P

V

H

H

L

-

Q

-

A

-

T

S

I

P

G

K

F

F

M

V

R

R

R

-

F

-

D

-

P

-

S

-

Y

A

R

R

D

Q

A

L

F

V

E

A

K

D

I

T

E

E

A

A

G

-

K

-

I

F

G

G

R

R

P

P

F

H

L

L

V

V

R

R

S

V

Q

V

T

F

A

R

D

N

Q

S

N

G

D

P

S

E

D

A

G

A

F
x
W

F

A

V

A

R

S

F

K

A

D

A

L

T

A

S

G

G

G

I

A

F

L

L

L

D

D

C

L

T

G

V

C

H
|
H

D

A

I

V

D

E

V

L

A

C

R

R

W

W

L

L

G

D

K

G

P

A

R

D

A

V

K

E

R

S

V

V

F

S

A

A

A

R

G

L

A

Q

A

R

V

V

M

R

H

P

E

P

G

A

L

L

R

E

E

-

F

-

G

-

D

-

V

-

D

D

N

Q

G

A

V

L

A

L

I

V

C

M

E

E

F

F

E

A

G

D

G

G

K

A

L

V

A

G

M

Q

F

C

Y

D

A

V

S

S

R

W

T

V

Q

T

A

Q

H

G

G

G

N

E

D

Q

T

V

H

T

S

A

E

E

V

I

I

I

G

G

T

T

A

K

G

G

A

R

L

V

A

-

I

-

G

-

R

-

N

-

P

-

R

-

A

-

N

-

R

E

V

V

E

D

I

L

Y

W

D

T

A

G

T

M

G

G

I

L

R

R

N

A

E

Y

C

S

T

D

P

K

N

G

F

Y

F

Q

D

D

R

V

F

W

E

D

binding nicotinamide-adenine-dinucleotide: G10 (= G16), F11 (≠ R17), M12 (≠ L18), D33 (≠ E43), L34 (≠ E44), T70 (≠ V77), T71 (= T78), P72 (= P79), N73 (≠ S80), L75 (= L82), H76 (= H83), Q79 (= Q86), E93 (= E100), K94 (= K101), N122 (≠ R119), W161 (≠ F168), H179 (= H186)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 290

6jw8A The crystal structure of kand2 in complex with nadh and 3"-deamino-3"- hydroxykanamycin b (see paper)
31% identity, 82% coverage: 8:293/349 of query aligns to 2:272/342 of 6jw8A

query
sites
6jw8A

V

V

R

R

V

V

G

G

V

V

G

G

L

A

G
|
G

R
x
F

L
x
M

G

G

K

G

R

V

H

H

A

A

E

E

N

V

L

V

A

A

Y

A

R

H

V

-

P

P

G

G

A

A

S

R

L

L

V

E

A

A

A

V

C

H

S

-

P

-

V

-

E
x
D

E
x
L

E

D

R

P

A

A

W

A

A

A

R

R

-

D

-

L

-

A

E

E

A

R

L

F

P

R

A

A

P

E

R

R

L

A

Y

E

E

P

D

S

Y

W

A

A

E

D

L

L

G

A

D

D

R

P

E

A

V

I

D

D

A

L

V

L

W

I

L

I

V
x
T

T
|
T

P
|
P

S
x
N

S

G

L
|
L

H
|
H

A

H

Q

R

Q
|
Q

I

A

V

A

D

E

A

A

L

L

R

R

A

A

G

G

K

K

H

H

V

V

F

L

C

V

E
|
E

K
|
K

P

P

L

L

S

G

L

V

-

T

-

P

-

E

-

Q

-

V

-

A

D

E

L

L

A

V

E

E

C

L

-

A

-

G

-

R

-

H

E

D

R

R

V

V

L

L

A

A

E

H

S

G

A

S

R
x
N

Y

F

P

V

H

H

L

-

Q

-

A

-

T

S

I

P

G

K

F

F

M

V

R

R

R

-

F

-

D

-

P

-

S

-

Y

A

R

R

D

Q

A

L

F

V

E

A

K

D

I

T

E

E

A

A

G

-

K

-

I

F

G

G

R

R

P

P

F

H

L

L

V

V

R

R

S

V

Q

V

T
x
F

A

R

D
x
N

Q

S

N

G

D

P

S

E

D

A

G

A

F
x
W

F

A

V

A

R

S

F

K

A

D

A

L

T

A

S

G

G

G

I

A

F

L

L

L

D
|
D

C
x
L

T

G

V

C

H
|
H

D

A

I

V

D

E

V

L

A

C

R

R

W

W

L

L

G

D

K

G

P

A

R

D

A

V

K

E

R

S

V

V

F

S

A

A

A

R

G

L

A

Q

A

R

V

V

M

R

H

P

E

P

G

A

L

L

R

E

E

-

F

-

G

-

D

-

V

-

D

D

N

Q

G

A

V

L

A

L

I

V

C

M

E

E

F

F

E

A

G

D

G

G

K

A

L

V

A

G

M

Q

F

C

Y

D

A

V

S

S

R

W

T

V

Q

T

A

Q

H

G

G

G

N
x
E

D

Q

T

V

H

T

S

A

E

E

V

I

I

I

G

G

T

T

A

K

G

G

A

R

L

V

A

-

I

-

G

-

R

-

N

-

P

-

R

-

A

-

N

-

R

E

V

V

E

D

I

L

Y

W

D

T

A

G

T

M

G

G

I

L

R

R

N

A

E

Y

C

S

T

D

P

K

N

G

F

Y

F

Q

D

D

R

V

F
x
W

E

D

binding (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol: F11 (≠ R17), F152 (≠ T159), N154 (≠ D161), D175 (= D182), L176 (≠ C183), H179 (= H186), E236 (≠ N248), W271 (≠ F292)
binding 1,4-dihydronicotinamide adenine dinucleotide: G10 (= G16), F11 (≠ R17), M12 (≠ L18), D33 (≠ E43), L34 (≠ E44), T70 (≠ V77), T71 (= T78), P72 (= P79), N73 (≠ S80), L75 (= L82), H76 (= H83), Q79 (= Q86), E93 (= E100), K94 (= K101), N122 (≠ R119), W161 (≠ F168), H179 (= H186)

Sites not aligning to the query:

binding 1,4-dihydronicotinamide adenine dinucleotide: 290

6jw7A The crystal structure of kand2 in complex with nadh and 3"-deamino-3"- hydroxykanamycin a (see paper)
31% identity, 82% coverage: 8:293/349 of query aligns to 2:272/342 of 6jw7A

query
sites
6jw7A

V

V

R

R

V

V

G

G

V

V

G
|
G

L

A

G
|
G

R
x
F

L
x
M

G

G

K

G

R

V

H

H

A

A

E

E

N

V

L

V

A

A

Y

A

R

H

V

-

P

P

G

G

A

A

S

R

L

L

V

E

A

A

A

V

C

H

S

-

P

-

V

-

E
x
D

E
x
L

E

D

R

P

A

A

W

A

A

A

R

R

-

D

-

L

-

A

E

E

A

R

L

F

P

R

A

A

P

E

R

R

L

A

Y

E

E

P

D

S

Y

W

A

A

E

D

L

L

G

A

D

D

R

P

E

A

V

I

D

D

A

L

V

L

W

I

L

I

V
x
T

T
|
T

P
|
P

S
x
N

S

G

L
|
L

H
|
H

A

H

Q

R

Q
|
Q

I

A

V

A

D

E

A

A

L

L

R

R

A

A

G

G

K

K

H

H

V

V

F

L

C

V

E
|
E

K
|
K

P

P

L

L

S

G

L

V

-

T

-

P

-

E

-

Q

-

V

-

A

D

E

L

L

A

V

E

E

C

L

-

A

-

G

-

R

-

H

E

D

R

R

V

V

L

L

A

A

E

H

S

G

A

S

R
x
N

Y

F

P

V

H

H

L

-

Q

-

A

-

T

S

I

P

G

K

F

F

M

V

R

R

R

-

F

-

D

-

P

-

S

-

Y

A

R

R

D

Q

A

L

F

V

E

A

K

D

I

T

E

E

A

A

G

-

K

-

I

F

G

G

R

R

P

P

F

H

L

L

V

V

R

R

S

V

Q

V

T

F

A

R

D
x
N

Q

S

N

G

D

P

S

E

D

A

G

A

F
x
W

F

A

V

A

R

S

F

K

A

D

A

L

T

A

S

G

G

G

I

A

F

L

L

L

D
|
D

C

L

T

G

V

C

H
|
H

D

A

I

V

D

E

V

L

A

C

R

R

W

W

L

L

G

D

K

G

P

A

R

D

A

V

K

E

R

S

V

V

F

S

A

A

A

R

G

L

A

Q

A

R

V

V

M

R

H

P

E

P

G

A

L

L

R

E

E

-

F

-

G

-

D

-

V

-

D

D

N

Q

G

A

V

L

A

L

I

V

C

M

E

E

F

F

E

A

G

D

G

G

K

A

L

V

A

G

M

Q

F

C

Y

D

A

V

S

S

R

W

T

V

Q

T

A

Q

H

G

G

G

N
x
E

D

Q

T

V

H

T

S

A

E

E

V

I

I

I

G

G

T

T

A

K

G

G

A

R

L

V

A

-

I

-

G

-

R

-

N

-

P

-

R

-

A

-

N

-

R

E

V

V

E

D

I

L

Y

W

D

T

A

G

T

M

G

G

I

L

R

R

N

A

E

Y

C

S

T

D

P

K

N

G

F

Y

F

Q

D

D

R

V

F
x
W

E

D

binding (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-bis(azanyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol: F11 (≠ R17), N154 (≠ D161), D175 (= D182), H179 (= H186), E236 (≠ N248), W271 (≠ F292)
binding 1,4-dihydronicotinamide adenine dinucleotide: G8 (= G14), G10 (= G16), F11 (≠ R17), M12 (≠ L18), D33 (≠ E43), L34 (≠ E44), T70 (≠ V77), T71 (= T78), P72 (= P79), N73 (≠ S80), L75 (= L82), H76 (= H83), Q79 (= Q86), E93 (= E100), K94 (= K101), N122 (≠ R119), W161 (≠ F168)

Sites not aligning to the query:

binding 1,4-dihydronicotinamide adenine dinucleotide: 290

1rydA Crystal structure of glucose-fructose oxidoreductase from zymomonas mobilis
32% identity, 40% coverage: 59:197/349 of query aligns to 87:228/381 of 1rydA

query
sites
1rydA

Y
|
Y

E

S

D

N

Y

F

A

D

E

K

L

I

L

A

G

K

D

D

R

P

E

K

V

I

D

D

A

A

V

V

W

Y

L

I

V

I

T
x
L

P
|
P

S
x
N

S

S

L
|
L

H
|
H

A

A

Q

E

Q

F

I

A

V

I

D

R

A

A

L

F

R

K

A

A

G

G

K

K

H

H

V

V

F

M

C

C

E
|
E

K
|
K

P

P

L

M

S

A

L

T

D

S

L

V

A

A

E

D

C

C

E

Q

R

R

V

M

L

I

A

-

E

D

S

A

A

A

R

K

Y

A

P

A

H

N

L

K

Q

K

A

L

T

M

I

I

G

G

F

Y

M
x
R

R

C

R

H

F

Y

D

D

P

P

S

M

Y

N

R

R

D

A

A

A

F

V

E

K

K

L

I

I

E

R

A

E

G

N

K

Q

I

L

G

G

R

K

P

L

F

G

L

M

V

V

-

T

-

D

R

N

S

S

Q

D

T

V

A

M

D

D

Q

Q

N

N

D

D

-

P

S
x
A

D

Q

G

Q

F
x
W

F
x
R

V

L

R

R

F

R

A

E

A

L

T

A

S

G

G

G

I

S

F

L

L

M

D

D

C

I

T

G

V

I

H
x
Y

D

G

I

L

D

N

V

G

A

T

R

R

W

Y

L

L

G

G

K

E

active site: K129 (= K101), Y217 (≠ H186)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y87 (= Y59), L106 (≠ T78), P107 (= P79), N108 (≠ S80), L110 (= L82), H111 (= H83), E128 (= E100), K129 (= K101), R157 (≠ M130), A196 (≠ S165), W199 (≠ F168), R200 (≠ F169), Y217 (≠ H186)

Sites not aligning to the query:

1h6dA Oxidized precursor form of glucose-fructose oxidoreductase from zymomonas mobilis complexed with glycerol (see paper)
32% identity, 40% coverage: 59:197/349 of query aligns to 89:230/383 of 1h6dA

query
sites
1h6dA

Y
|
Y

E

S

D

N

Y

F

A

D

E

K

L

I

L

A

G

K

D

D

R

P

E

K

V

I

D

D

A

A

V

V

W

Y

L

I

V
x
I

T
x
L

P
|
P

S
x
N

S

S

L

L

H
|
H

A

A

Q

E

Q

F

I

A

V

I

D

R

A

A

L

F

R

K

A

A

G

G

K

K

H

H

V

V

F

M

C

C

E
|
E

K
|
K

P

P

L

M

S

A

L

T

D

S

L

V

A

A

E

D

C

C

E

Q

R

R

V

M

L

I

A

-

E

D

S

A

A

A

R

K

Y

A

P

A

H

N

L

K

Q

K

A

L

T

M

I

I

G

G

F

Y

M
x
R

R

C

R

H

F

Y

D

D

P

P

S

M

Y

N

R

R

D

A

A

A

F

V

E

K

K

L

I

I

E

R

A

E

G

N

K

Q

I

L

G

G

R

K

P

L

F

G

L

M

V

V

-

T

-

D

R

N

S

S

Q

D

T

V

A

M

D

D

Q

Q

N

N

D

D

-

P

S
x
A

D

Q

G

Q

F
x
W

F
x
R

V

L

R

R

F

R

A

E

A

L

T

A

S

G

G

G

I

S

F

L

L

M

D
|
D

C

I

T

G

V

I

H
x
Y

D

G

I

L

D

N

V

G

A

T

R

R

W

Y

L

L

G

G

K

E

active site: K131 (= K101), Y219 (≠ H186)
binding glycerol: K131 (= K101), R202 (≠ F169), D215 (= D182), Y219 (≠ H186)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y89 (= Y59), I107 (≠ V77), L108 (≠ T78), P109 (= P79), N110 (≠ S80), H113 (= H83), E130 (= E100), K131 (= K101), R159 (≠ M130), A198 (≠ S165), W201 (≠ F168), R202 (≠ F169), Y219 (≠ H186)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 17, 18, 19, 40, 41, 42, 43, 44, 66, 67, 71, 298

Query Sequence

>BPHYT_RS13880 FitnessBrowser__BFirm:BPHYT_RS13880
MTAAAPRVRVGVVGLGRLGKRHAENLAYRVPGASLVAACSPVEEERAWAREALPAPRLYE
DYAELLGDREVDAVWLVTPSSLHAQQIVDALRAGKHVFCEKPLSLDLAECERVLAESARY
PHLQATIGFMRRFDPSYRDAFEKIEAGKIGRPFLVRSQTADQNDSDGFFVRFAATSGGIF
LDCTVHDIDVARWLLGKPRAKRVFAAGAAVMHEGLREFGDVDNGVAICEFEGGKLAMFYA
SRTQAHGNDTHSEVIGTAGALAIGRNPRANRVEIYDATGIRNECTPNFFDRFEDAFLFEA
RAFVAAVRGGVGASAAQAGAGASLADAVEATRIGVALRESLLRGEAVTL

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