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), F167 (= F172), D179 (= D182), M180 (≠ C183), H183 (= H186), R238 (= R242), Y244 (≠ N248), F284 (= F288)
binding 1,4-dihydronicotinamide adenine dinucleotide: V8 (= V13), G9 (= G14), L10 (= L15), G11 (= G16), R12 (= R17), L13 (= L18), S35 (= S40), V36 (≠ P41), V37 (= V42), E40 (= E45), V72 (= V77), S73 (≠ T78), P74 (= P79), S75 (= S80), F77 (≠ L82), H78 (= H83), Q81 (= Q86), E95 (= E100), K96 (= K101), M125 (= M130), F167 (= F172), H183 (= H186), F284 (= F288), F292 (= F296)

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: I10 (≠ V13), G11 (= G14), L12 (= L15), G13 (= G16), R14 (= R17), L15 (= L18), C36 (= C39), A37 (≠ S40), L38 (≠ P41), Q42 (≠ E45), V74 (= V77), A75 (≠ T78), P76 (= P79), T77 (≠ S80), F79 (≠ L82), H80 (= H83), M83 (≠ Q86), E97 (= E100), K98 (= K101), P99 (= P102), M127 (= M130), F169 (= F172), H185 (= H186), F286 (= F288), F294 (= F296)

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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active site: K97 (= K101), H176 (= H186)
binding nicotinamide-adenine-dinucleotide: V8 (= V13), G9 (= G14), G11 (= G16), M12 (≠ R17), I13 (≠ L18), C34 (= C39), D35 (≠ S40), I36 (≠ P41), V37 (= V42), R40 (≠ E43), Y58 (= Y62), T73 (≠ V77), A74 (≠ T78), S75 (≠ P79), N76 (≠ S80), A78 (≠ L82), 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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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 nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), K12 (≠ R17), I13 (≠ L18), T73 (≠ V77), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), H79 (= H83), E96 (= E100), K97 (= K101), P98 (= P102), M126 (= M130), H176 (= H186), 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
x
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
x
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
x
G

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 (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), W274 (≠ F288)
binding nicotinamide-adenine-dinucleotide: I8 (≠ V13), G9 (= G14), G11 (= G16), A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), D37 (≠ E43), V73 (= V77), S74 (≠ T78), F75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), D172 (= D182), H176 (= H186), 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
x
I

G
|
G

L
x
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
x
G

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), W274 (≠ F288)
binding 1,4-dihydronicotinamide adenine dinucleotide: I8 (≠ V13), G9 (= G14), T10 (≠ L15), G11 (= G16), A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), V73 (= V77), S74 (≠ T78), F75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), D172 (= D182), H176 (= H186), 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
x
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
x
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
x
G

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

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: I8 (≠ V13), G9 (= G14), G11 (= G16), A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), D37 (≠ E43), V73 (= V77), S74 (≠ T78), F75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), H176 (= H186), 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
x
I

G
|
G

L
x
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
x
G

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

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 nicotinamide-adenine-dinucleotide: I8 (≠ V13), G9 (= G14), T10 (≠ L15), G11 (= G16), A12 (≠ R17), M13 (≠ L18), D35 (≠ P41), I36 (≠ V42), V73 (= V77), S74 (≠ T78), F75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), H176 (= H186), W274 (≠ F288), 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
x
I

G
|
G

L
x
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
x
T

S
x
D

P
x
V

V
x
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

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
x
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), R127 (= R131), H155 (≠ T159), N157 (≠ D161), D172 (= D182), H176 (= H186), Y235 (≠ N248)
binding nicotinamide-adenine-dinucleotide: I8 (≠ V13), G9 (= G14), T10 (≠ L15), G11 (= G16), A12 (≠ R17), I13 (≠ L18), T34 (≠ C39), D35 (≠ S40), V36 (≠ P41), N37 (≠ V42), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), M126 (= M130), 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
x
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
x
T

S
x
D

P
x
V

V
x
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
x
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
x
H

A

R

D
x
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
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 1,2,3,4,5,6-hexahydroxy-cyclohexane: K97 (= K101), H155 (≠ T159), N157 (≠ D161), H176 (= H186), Y235 (≠ N248), W272 (≠ F288)
binding 1,4-dihydronicotinamide adenine dinucleotide: I8 (≠ V13), G9 (= G14), G11 (= G16), A12 (≠ R17), I13 (≠ L18), T34 (≠ C39), D35 (≠ S40), V36 (≠ P41), N37 (≠ V42), T73 (≠ V77), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), G124 (= G128), M126 (= M130), H176 (= H186), Y280 (≠ F296)

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
x
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
x
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
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: I8 (≠ V13), G9 (= G14), G11 (= G16), A12 (≠ R17), I13 (≠ L18), T34 (≠ C39), D35 (≠ S40), V36 (≠ P41), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), P98 (= P102), M126 (= M130), H176 (= H186), 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
x
I

G
|
G

L
x
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
x
T

S
x
D

P
x
V

V
x
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
x
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
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 nicotinamide-adenine-dinucleotide: I8 (≠ V13), G9 (= G14), T10 (≠ L15), G11 (= G16), A12 (≠ R17), I13 (≠ L18), T34 (≠ C39), D35 (≠ S40), V36 (≠ P41), N37 (≠ V42), T73 (≠ V77), S74 (≠ T78), W75 (≠ P79), G76 (≠ S80), A78 (≠ L82), H79 (= H83), E96 (= E100), K97 (= K101), P98 (= P102), M126 (= M130), H176 (= H186), W272 (≠ F288), 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
x
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
x
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