SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BPHYT_RS13885 FitnessBrowser__BFirm:BPHYT_RS13885 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
30% identity, 95% coverage: 6:325/338 of query aligns to 1:333/340 of 4n54A

query
sites
4n54A

K

K

T

T

I

I

D

K

V

I

A

G

V

I

F
x
V

G
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G

A
x
L

G
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G

R
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R

I
x
L

G

G

K

K

I

I

H

H

A

A

A

T

N

N

L

I

A

A

R

T

Q

K

-

I

P

Q

G

H

V

A

R

K

L

L

K

Q

Y

A

V

A

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T

D
x
S

V
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V

N

V

R

P

E

A

A
x
E

A

L

A

D

A

W

L

A

A

K

E

E

H

L

G

G

A

V

Q

E

-

E

-

V

V

F

A

E

D

D

I

F

D

D

G

D

A

M

M

V

G

Q

D

H

A

A

S

D

I

I

G

D

A

A

T

V

V

F

I

I

C

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S
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S

S
x
P

T

S

D

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T
x
F

H
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H

A

L

D

Q

L

Q

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I

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E

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S

A

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L

A

N

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A

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K

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H

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V

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F

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E
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E

K
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K

P

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L

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A

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Y

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Y

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F

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S

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G

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M
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M

L

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H

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W

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K

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A

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A

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G

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P

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K

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Y

F

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N

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H

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N

K

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V

R

G

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T

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D

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G

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L

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G

-

T

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-

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N

active site: K96 (= K98), H183 (= H179)
binding (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol: R12 (= R17), K96 (= K98), D156 (= D157), D179 (= D175), M180 (= M176), H183 (= H179), R238 (= R234), Y244 (= Y240)
binding 1,4-dihydronicotinamide adenine dinucleotide: V8 (≠ F13), G9 (= G14), L10 (≠ A15), G11 (= G16), R12 (= R17), L13 (≠ I18), S35 (≠ D39), V36 (= V40), E40 (≠ A44), S73 (= S75), P74 (≠ S76), F77 (≠ T79), H78 (= H80), E95 (= E97), K96 (= K98), M125 (≠ Q126), F167 (vs. gap), F284 (= F280)

3ceaA Crystal structure of myo-inositol 2-dehydrogenase (np_786804.1) from lactobacillus plantarum at 2.40 a resolution
27% identity, 97% coverage: 6:334/338 of query aligns to 3:340/342 of 3ceaA

query
sites
3ceaA

K

K

T

P

I

L

D

R

V

A

A

A

V

I

F

I

G
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G

A

L

G
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G

R
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R

I
x
L

G

G

K

E

I

R

H

H

A

A

A

R

N

H

L

L

A

V

R

N

Q

K

-

I

P

Q

G

G

V

V

R

K

L

L

K

V

Y

A

V

A

V

C

D

A

V
x
L

N

D

R

S

E

N

A
x
Q

A

L

A

E

A

W

L

A

A

K

A

N

E

E

H

L

G

G

A

V

Q

E

V

T

A

T

-

Y

-

T

D

N

I

Y

D

K

G

D

A

M

M

I

G

D

D

T

A

E

S

N

I

I

G

D

A

A

T

I

V

F

I

I

C
x
V

S
x
A

S
x
P

T
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T

D

P

T
x
F

H
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H

A

P

D

E

L
x
M

I

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I

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Y

S

A

A

M

A

N

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A

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G

K

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N

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V

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F

C

C

E
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E

K
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K

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P

V

L

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G

L

L

T

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L

F

E

N

R

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A

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A

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A

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N

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M

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Y

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A

Y

L

A

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K

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D

D

A

N

G

G

E

D

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I

G

G

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K

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-

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M

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G

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E

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A

A

Y

F

A

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E

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F

F

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N

A

N

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G

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K

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D

D

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G

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L

I

active site: K98 (= K98), H185 (= H179)
binding nicotinamide-adenine-dinucleotide: G11 (= G14), G13 (= G16), R14 (= R17), L15 (≠ I18), L38 (≠ V40), Q42 (≠ A44), V74 (≠ C74), A75 (≠ S75), P76 (≠ S76), T77 (= T77), F79 (≠ T79), H80 (= H80), M83 (≠ L83), E97 (= E97), K98 (= K98), M127 (≠ Q126), F169 (vs. gap), H185 (= H179), F286 (= F279)

4mjlD Crystal structure of myo-inositol dehydrogenase from lactobacillus casei in complex with NAD and d-chiro-inositol
29% identity, 98% coverage: 8:337/338 of query aligns to 3:332/339 of 4mjlD

query
sites
4mjlD

I

V

D

K

V

V

A

G

V

V

F

I

G

G

A

T

G
|
G

R
x
A

I
x
M

G

G

K

R

I

A

H

H

A

I

A

D

N

R

L

L

A

T

R

N

-

V

Q

L

P

T

G

G

V

A

R

E

L

V

K

V

Y

A

V

V

V

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D
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D

V
x
I

N

D

R

H

E

E

A

A

A

E

A

A

L

A

A

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D

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F

-

H

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G

N

A

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V

V

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Y

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D

I

D

D

T

G

S

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M

L

G

Q

D

D

A

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S

D

I

I

G

D

A

A

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V

F

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C
x
V

S
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S

S

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T

G

D

G

T

A

H
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H

A

E

D

A

L

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A

A

L

A

D

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K

D

K

K

H

F

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F

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E

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K

P

P

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L

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A

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T

T

L

L

E

E

R

G

A

A

R

K

A

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C

I

A

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D

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E

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K

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S

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K

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K

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C

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I

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F

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M

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A

L

L

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K

A

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L

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L

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x
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x
N

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G

N

A

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-

E

-

Y

-

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H

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D

E

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P

A

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K

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K

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E

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T

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D

-

V

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V

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E

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M

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S

F
x
W

L

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R

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Y

F

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A

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Y

A

N

H

T

E

E

I

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A

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F

F

F

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D

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E

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A

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A

active site: K97 (= K98)
binding (1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol: K97 (= K98), H155 (≠ S155), N157 (≠ D157), D172 (= D175), T173 (≠ M176), H176 (= H179), Y236 (= Y240)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), A12 (≠ R17), M13 (≠ I18), D35 (= D39), I36 (≠ V40), V73 (≠ C74), S74 (= S75), H79 (= H80), E96 (= E97), K97 (= K98), M126 (≠ Q126), D172 (= D175), W274 (≠ F280), Y282 (= Y288)

4mioD Crystal structure of myo-inositol dehydrogenase from lactobacillus casei in complex with NAD(h) and myo-inositol
29% identity, 98% coverage: 8:337/338 of query aligns to 3:332/339 of 4mioD

query
sites
4mioD

I

V

D

K

V

V

A

G

V

V

F

I

G

G

A

T

G

G

R
x
A

I
x
M

G

G

K

R

I

A

H

H

A

I

A

D

N

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L

L

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G

G

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Y

A

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D
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D

V
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E

A

A

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S
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x
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H
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H

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A

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D

K

K

H

F

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F

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E

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K

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L

E

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A

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D

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M

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F

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L

L

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L

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x
H

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N

P

P

G

N

A

V

P

A

P

S

V

-

E

-

Y

-

I

-

K

N

H

Y

S

S

G

N

G

E

I

M

-

A

F

I

K

T

D
|
D

M
x
T

L

L

I

I

H
|
H

D

E

F

I

D

D

I

E

F

M

R

H

W

W

I

L

L

L

D

D

E

E

A

Y

E

T

T

S

L

I

H

Q

A

I

T

T

G

Y

S

P

C

R

L

Q

S

S

D

-

P

A

A

E

I

V

A

R

E

N

A

E

G

G

D

L

I

H

D

D

S

P

T

Q

A

L

V

A

T

T

I

L

R

T

T

T

K

K

R

K

G

G

R

T

L

V

C

I

Q

Q

I

V

N

L

T

V

A

H

R

V

R

T

A

A

A

Q

Y

Y

G

G

Y
|
Y

D

E

Q

V

R

K

F

L

E

E

V

V

L

I

G

G

S

E

H

T

G

G

M

E

L

L

Q

Q

A

L

G

P

N

N

V

Y

R

G

P

L

T

G

E

P

V

I

T

L

A

R

Y

S

S

N

K

A

T

N

E

Q

V

Q

S

T

S

A

D

-

V

-

P

V

E

E

A

M

F

S

F
x
W

L

I

E

N

R

R

Y

F

R

I

A

Q

A

A

Y
|
Y

A

N

H

T

E

E

I

V

A

Q

H

E

F

F

F

I

D

D

A

E

V

V

T

A

H

K

G

S

K

E

-

P

P

P

V

V

R

G

T

P

T

S

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

I

L

T

A

A

E

A

A

A

T

N

R

R

S

S

W

Q

R

K

E

D

G

Q

R

E

A

T

I

V

K

L

L

I

G

N

E

V

A

A

active site: K97 (= K98)
binding 1,2,3,4,5,6-hexahydroxy-cyclohexane: K97 (= K98), H155 (≠ S155), N157 (≠ D157), D172 (= D175), T173 (≠ M176), H176 (= H179), Y236 (= Y240)
binding 1,4-dihydronicotinamide adenine dinucleotide: A12 (≠ R17), M13 (≠ I18), D35 (= D39), I36 (≠ V40), S74 (= S75), A78 (≠ T79), H79 (= H80), E96 (= E97), K97 (= K98), M126 (≠ Q126), D172 (= D175), W274 (≠ F280), Y282 (= Y288)

4mioA Crystal structure of myo-inositol dehydrogenase from lactobacillus casei in complex with NAD(h) and myo-inositol
29% identity, 98% coverage: 8:337/338 of query aligns to 3:332/339 of 4mioA

query
sites
4mioA

I

V

D

K

V

V

A

G

V

V

F

I

G

G

A

T

G
|
G

R
x
A

I
x
M

G

G

K

R

I

A

H

H

A

I

A

D

N

R

L

L

A

T

R

N

-

V

Q

L

P

T

G

G

V

A

R

E

L

V

K

V

Y

A

V

V

V

T

D
|
D

V
x
I

N

D

R

H

E

E

A

A

A

E

A

A

L

A

A

V

A

R

E

D

H

F

-

H

-

L

G

N

A

A

Q

K

V

V

-

Y

A

P

D

D

I

D

D

T

G

S

A

L

M

L

G

Q

D

D

A

P

S

D

I

I

G

D

A

A

T

V

V

F

I

V

C

V

S
|
S

S
x
F

T

G

D

G

T

A

H
|
H

A

E

D

A

L

T

I

V

L

L

Q

K

S

A

A

L

A

D

Q

T

K

D

K

K

H

F

V

I

F

F

C

T

E
|
E

K
|
K

P

P

V

L

D

A

L

T

T

T

L

L

E

E

R

G

A

A

R

K

A

R

C

I

A

V

D

D

A

K

-

E

V

L

E

T

R

K

A

S

G

K

V

K

V

V

C

I

M

Q

I

V

G

G

F

F

Q

M

R

R

F

Y

D

D

P

Q

T

G

F

I

S

R

A

A

L

L

K

K

A

E

R

K

L

L

D

D

A

T

G

G

E

I

I

I

G

G

T

A

P

P

E

L

M

V

L

V

V

R

V

A

T

S

S

H

R

I

D

N

P

P

G

N

A

V

P

A

P

S

V

-

E

-

Y

-

I

-

K

N

H

Y

S

S

G

N

G

E

I

M

-

A

F

I

K

T

D

D

M

T

L

L

I

I

H

H

D

E

F

I

D

D

I

E

F

M

R

H

W

W

I

L

L

L

D

D

E

E

A

Y

E

T

T

S

L

I

H

Q

A

I

T

T

G

Y

S

P

C

R

L

Q

S

S

D

-

P

A

A

E

I

V

A

R

E

N

A

E

G

G

D

L

I

H

D

D

S

P

T

Q

A

L

V

A

T

T

I

L

R

T

T

T

K

K

R

K

G

G

R

T

L

V

C

I

Q

Q

I

V

N

L

T

V

A

H

R

V

R

T

A

A

A

Q

Y

Y

G

G

Y

Y

D

E

Q

V

R

K

F

L

E

E

V

V

L

I

G

G

S

E

H

T

G

G

M

E

L

L

Q

Q

A

L

G

P

N

N

V

Y

R

G

P

L

T

G

E

P

V

I

T

L

A

R

Y

S

S

N

K

A

T

N

E

Q

V

Q

S

T

S

A

D

-

V

-

P

V

E

E

A

M

F

S

F
x
W

L

I

E

N

R

R

Y

F

R

I

A

Q

A

A

Y
|
Y

A

N

H

T

E

E

I

V

A

Q

H

E

F

F

F

I

D

D

A

E

V

V

T

A

H

K

G

S

K

E

-

P

P

P

V

V

R

G

T

P

T

S

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

I

L

T

A

A

E

A

A

A

T

N

R

R

S

S

W

Q

R

K

E

D

G

Q

R

E

A

T

I

V

K

L

L

I

G

N

E

V

A

A

active site: K97 (= K98)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G16), A12 (≠ R17), M13 (≠ I18), D35 (= D39), I36 (≠ V40), S74 (= S75), F75 (≠ S76), H79 (= H80), E96 (= E97), K97 (= K98), W274 (≠ F280), Y282 (= Y288)

4minA Crystal structure of myo-inositol dehydrogenase from lactobacillus casei with bound cofactor NAD
29% identity, 98% coverage: 8:337/338 of query aligns to 3:332/339 of 4minA

query
sites
4minA

I

V

D

K

V

V

A

G

V

V

F

I

G

G

A

T

G
|
G

R
x
A

I
x
M

G

G

K

R

I

A

H

H

A

I

A

D

N

R

L

L

A

T

R

N

-

V

Q

L

P

T

G

G

V

A

R

E

L

V

K

V

Y

A

V

V

V

T

D
|
D

V
x
I

N

D

R

H

E

E

A

A

A

E

A

A

L

A

A

V

A

R

E

D

H

F

-

H

-

L

G

N

A

A

Q

K

V

V

-

Y

A

P

D

D

I

D

D

T

G

S

A

L

M

L

G

Q

D

D

A

P

S

D

I

I

G

D

A

A

T

V

V

F

I

V

C
x
V

S
|
S

S
x
F

T

G

D

G

T

A

H
|
H

A

E

D

A

L

T

I

V

L

L

Q

K

S

A

A

L

A

D

Q

T

K

D

K

K

H

F

V

I

F

F

C

T

E
|
E

K
|
K

P

P

V

L

D

A

L

T

T

T

L

L

E

E

R

G

A

A

R

K

A

R

C

I

A

V

D

D

A

K

-

E

V

L

E

T

R

K

A

S

G

K

V

K

V

V

C

I

M

Q

I

V

G

G

F

F

Q

M

R

R

F

Y

D

D

P

Q

T

G

F

I

S

R

A

A

L

L

K

K

A

E

R

K

L

L

D

D

A

T

G

G

E

I

I

I

G

G

T

A

P

P

E

L

M

V

L

V

V

R

V

A

T

S

S

H

R

I

D

N

P

P

G

N

A

V

P

A

P

S

V

-

E

-

Y

-

I

-

K

N

H

Y

S

S

G

N

G

E

I

M

-

A

F

I

K

T

D

D

M

T

L

L

I

I

H

H

D

E

F

I

D

D

I

E

F

M

R

H

W

W

I

L

L

L

D

D

E

E

A

Y

E

T

T

S

L

I

H

Q

A

I

T

T

G

Y

S

P

C

R

L

Q

S

S

D

-

P

A

A

E

I

V

A

R

E

N

A

E

G

G

D

L

I

H

D

D

S

P

T

Q

A

L

V

A

T

T

I

L

R

T

T

T

K

K

R

K

G

G

R

T

L

V

C

I

Q

Q

I

V

N

L

T

V

A

H

R

V

R

T

A

A

A

Q

Y

Y

G

G

Y

Y

D

E

Q

V

R

K

F

L

E

E

V

V

L

I

G

G

S

E

H

T

G

G

M

E

L

L

Q

Q

A

L

G

P

N

N

V

Y

R

G

P

L

T

G

E

P

V

I

T

L

A

R

Y

S

S

N

K

A

T

N

E

Q

V

Q

S

T

S

A

D

-

V

-

P

V

E

E

A

M

F

S

F

W

L

I

E

N

R

R

Y

F

R

I

A

Q

A

A

Y
|
Y

A

N

H

T

E

E

I

V

A

Q

H

E

F

F

F

I

D

D

A

E

V

V

T

A

H

K

G

S

K

E

-

P

P

P

V

V

R

G

T

P

T

S

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

I

L

T

A

A

E

A

A

A

T

N

R

R

S

S

W

Q

R

K

E

D

G

Q

R

E

A

T

I

V

K

L

L

I

G

N

E

V

A

A

active site: K97 (= K98)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), A12 (≠ R17), M13 (≠ I18), D35 (= D39), I36 (≠ V40), V73 (≠ C74), S74 (= S75), F75 (≠ S76), H79 (= H80), E96 (= E97), K97 (= K98), Y282 (= Y288)

3nt5A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor and product inosose (see paper)
26% identity, 97% coverage: 7:334/338 of query aligns to 2:327/337 of 3nt5A

query
sites
3nt5A

T

S

I

L

D

R

V

I

A

G

V

V

F

I

G
|
G

A

T

G
|
G

R
x
A

I
|
I

G

G

K

K

I

E

H

H

A

I

A

N

N

R

L

I

A

T

R

N

Q

K

-

L

P

S

G

G

V

A

R

E

L

I

K

V

Y

A

V

V

V

T

D
|
D

V
|
V

N

N

R

Q

E

E

A

A

A

Q

A

K

L

V

A

V

A

E

E

Q

H

Y

G

Q

A

L

Q

N

V

A

A

T

-

V

-

Y

-

P

D

N

I

D

D

D

G

S

A

L

M

L

G

A

D

D

A

E

S

N

I

V

G

D

A

A

T

V

V

L

I

V

C

T

S
|
S

S
x
W

T
x
G

D

P

T

A

H

H

A

E

D

S

L

S

I

V

L

L

Q

K

S

A

A

I

A

K

Q

A

K

Q

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

V

L

D

A

L

T

T

T

L

A

E

E

R

G

A

C

-

M

R

R

A

I

C

V

A

E

D

E

A

E

V

I

E

K

R

V

A

G

G

K

V

R

V

L

C

V

M

Q

I

V

G

G

F

F

Q

M

R

R

F

Y

D

D

P

S

T

G

F

Y

S

V

A

Q

L

L

K

K

A

E

R

A

L

L

D

D

A

N

G

H

E

V

I

I

G

G

T

E

P

P

E

L

M

M

L

I

V

H

V

C

T

A

S
x
H

R

R

D

N

P

P

G

T

A

V

P

G

P

D

V

-

E

N

Y

Y

I

T

K

T

H

D

S

M

G

A

G

V

I

V

F

-

K

-

D

D

M

T

L

L

I

V

H
|
H

D

E

F

I

D

D

I

V

F

L

R

H

W

W

I

L

L

V

D

N

D

D

E

D

A

Y

E

E

T

S

L

V

H

Q

A

V

T

I

G

Y

S

P

C

K

L

K

S

S

D

K

P

N

A

A

I

L

A

P

E

H

A

L

G

K

D

-

I

-

D

D

S

P

T

Q

A

I

V

V

T

V

I

I

R

E

T

T

K

K

R

G

G

G

R

I

L

V

C

I

Q

N

I

A

N

E

T

I

A

Y

R

V

R

N

A

C

A

K

Y

Y

G

G

Y
|
Y

D

D

Q

I

R

Q

F

C

E

E

V

I

L

V

G

G

S

E

H

D

G

G

M

I

L

I

Q

K

A

L

G

P

N

-

V

-

R

E

P

P

T

S

E

S

V

I

T

S

A

L

Y

R

S

K

K

E

T

G

E

R

V

F

S

S

S

T

D

D

V

I

P

L

E

-

A

M

F

D

F

W

L

Q

E

R

R

R

Y

F

R

V

A

A

Y
|
Y

A

D

H

V

E

E

I

I

A

Q

H

D

F

F

F

I

D

D

A

S

V

I

T

Q

-

K

H

K

G

G

K

E

P

V

V

S

R

G

T

P

T

T

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

V

L

T

A

T

E

D

A

A

A

C

T

V

R

K

S

A

W

Q

R

E

E

S

G

G

R

Q

A

K

I

E

K

K

L

V

active site: K97 (= K98), H176 (= H179)
binding (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone: K97 (= K98), H155 (≠ S155), H176 (= H179), Y235 (= Y240)
binding nicotinamide-adenine-dinucleotide: G9 (= G14), G11 (= G16), A12 (≠ R17), I13 (= I18), D35 (= D39), V36 (= V40), S74 (= S75), W75 (≠ S76), G76 (≠ T77), E96 (= E97), K97 (= K98), Y280 (= Y288)

3nt4A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor nadh and inositol (see paper)
26% identity, 97% coverage: 7:334/338 of query aligns to 2:327/337 of 3nt4A

query
sites
3nt4A

T

S

I

L

D

R

V

I

A

G

V

V

F

I

G

G

A

T

G
|
G

R
x
A

I
|
I

G

G

K

K

I

E

H

H

A

I

A

N

N

R

L

I

A

T

R

N

Q

K

-

L

P

S

G

G

V

A

R

E

L

I

K

V

Y

A

V

V

V

T

D
|
D

V
|
V

N

N

R

Q

E

E

A

A

A

Q

A

K

L

V

A

V

A

E

E

Q

H

Y

G

Q

A

L

Q

N

V

A

A

T

-

V

-

Y

-

P

D

N

I

D

D

D

G

S

A

L

M

L

G

A

D

D

A

E

S

N

I

V

G

D

A

A

T

V

V

L

I

V

C

T

S
|
S

S
x
W

T
x
G

D

P

T

A

H

H

A

E

D

S

L

S

I

V

L

L

Q

K

S

A

A

I

A

K

Q

A

K

Q

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

V

L

D

A

L

T

T

T

L

A

E

E

R

G

A

C

-

M

R

R

A

I

C

V

A

E

D

E

A

E

V

I

E

K

R

V

A

G

G

K

V

R

V

L

C

V

M

Q

I

V

G

G

F

F

Q

M

R

R

F

Y

D

D

P

S

T

G

F

Y

S

V

A

Q

L

L

K

K

A

E

R

A

L

L

D

D

A

N

G

H

E

V

I

I

G

G

T

E

P

P

E

L

M

M

L

I

V

H

V

C

T

A

S
x
H

R

R

D

N

P

P

G

T

A

V

P

G

P

D

V

-

E

N

Y

Y

I

T

K

T

H

D

S

M

G

A

G

V

I

V

F

-

K

-

D

D

M

T

L

L

I

V

H
|
H

D

E

F

I

D

D

I

V

F

L

R

H

W

W

I

L

L

V

D

N

D

D

E

D

A

Y

E

E

T

S

L

V

H

Q

A

V

T

I

G

Y

S

P

C

K

L

K

S

S

D

K

P

N

A

A

I

L

A

P

E

H

A

L

G

K

D

-

I

-

D

D

S

P

T

Q

A

I

V

V

T

V

I

I

R

E

T

T

K

K

R

G

G

G

R

I

L

V

C

I

Q

N

I

A

N

E

T

I

A

Y

R

V

R

N

A

C

A

K

Y

Y

G

G

Y
|
Y

D

D

Q

I

R

Q

F

C

E

E

V

I

L

V

G

G

S

E

H

D

G

G

M

I

L

I

Q

K

A

L

G

P

N

-

V

-

R

E

P

P

T

S

E

S

V

I

T

S

A

L

Y

R

S

K

K

E

T

G

E

R

V

F

S

S

S

T

D

D

V

I

P

L

E

-

A

M

F

D

F
x
W

L

Q

E

R

R

R

Y

F

R

V

A

A

Y

Y

A

D

H

V

E

E

I

I

A

Q

H

D

F

F

F

I

D

D

A

S

V

I

T

Q

-

K

H

K

G

G

K

E

P

V

V

S

R

G

T

P

T

T

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

V

L

T

A

T

E

D

A

A

A

C

T

V

R

K

S

A

W

Q

R

E

E

S

G

G

R

Q

A

K

I

E

K

K

L

V

active site: K97 (= K98), H176 (= H179)
binding 1,2,3,4,5,6-hexahydroxy-cyclohexane: H155 (≠ S155), H176 (= H179), Y235 (= Y240), W272 (≠ F280)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G16), A12 (≠ R17), I13 (= I18), D35 (= D39), V36 (= V40), S74 (= S75), W75 (≠ S76), G76 (≠ T77), E96 (= E97), K97 (= K98), H176 (= H179)

3nt2B Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor (see paper)
26% identity, 97% coverage: 7:334/338 of query aligns to 2:327/337 of 3nt2B

query
sites
3nt2B

T

S

I

L

D

R

V

I

A

G

V

V

F

I

G
|
G

A

T

G
|
G

R
x
A

I

I

G

G

K

K

I

E

H

H

A

I

A

N

N

R

L

I

A

T

R

N

Q

K

-

L

P

S

G

G

V

A

R

E

L

I

K

V

Y

A

V

V

V

T

D
|
D

V
|
V

N

N

R

Q

E

E

A

A

A

Q

A

K

L

V

A

V

A

E

E

Q

H

Y

G

Q

A

L

Q

N

V

A

A

T

-

V

-

Y

-

P

D

N

I

D

D

D

G

S

A

L

M

L

G

A

D

D

A

E

S

N

I

V

G

D

A

A

T

V

V

L

I

V

C

T

S
|
S

S
x
W

T

G

D

P

T
x
A

H

H

A

E

D

S

L

S

I

V

L

L

Q

K

S

A

A

I

A

K

Q

A

K

Q

K

K

H

Y

V

V

F

F

C

C

E

E

K
|
K

P

P

V

L

D

A

L

T

T

T

L

A

E

E

R

G

A

C

-

M

R

R

A

I

C

V

A

E

D

E

A

E

V

I

E

K

R

V

A

G

G

K

V

R

V

L

C

V

M

Q

I

V

G

G

F

F

Q

M

R

R

F

Y

D

D

P

S

T

G

F

Y

S

V

A

Q

L

L

K

K

A

E

R

A

L

L

D

D

A

N

G

H

E

V

I

I

G

G

T

E

P

P

E

L

M

M

L

I

V

H

V

C

T

A

S

H

R

R

D

N

P

P

G

T

A

V

P

G

P

D

V

-

E

N

Y

Y

I

T

K

T

H

D

S

M

G

A

G

V

I

V

F

-

K

-

D

D

M

T

L

L

I

V

H
|
H

D

E

F

I

D

D

I

V

F

L

R

H

W

W

I

L

L

V

D

N

D

D

E

D

A

Y

E

E

T

S

L

V

H

Q

A

V

T

I

G

Y

S

P

C

K

L

K

S

S

D

K

P

N

A

A

I

L

A

P

E

H

A

L

G

K

D

-

I

-

D

D

S

P

T

Q

A

I

V

V

T

V

I

I

R

E

T

T

K

K

R

G

G

G

R

I

L

V

C

I

Q

N

I

A

N

E

T

I

A

Y

R

V

R

N

A

C

A

K

Y

Y

G

G

Y

Y

D

D

Q

I

R

Q

F

C

E

E

V

I

L

V

G

G

S

E

H

D

G

G

M

I

L

I

Q

K

A

L

G

P

N

-

V

-

R

E

P

P

T

S

E

S

V

I

T

S

A

L

Y

R

S

K

K

E

T

G

E

R

V

F

S

S

S

T

D

D

V

I

P

L

E

-

A

M

F

D

F
x
W

L

Q

E

R

R

R

Y

F

R

V

A

A

Y
|
Y

A

D

H

V

E

E

I

I

A

Q

H

D

F

F

F

I

D

D

A

S

V

I

T

Q

-

K

H

K

G

G

K

E

P

V

V

S

R

G

T

P

T

T

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

V

L

T

A

T

E

D

A

A

A

C

T

V

R

K

S

A

W

Q

R

E

E

S

G

G

R

Q

A

K

I

E

K

K

L

V

active site: K97 (= K98), H176 (= H179)
binding 1,4-dihydronicotinamide adenine dinucleotide: G9 (= G14), G11 (= G16), A12 (≠ R17), D35 (= D39), V36 (= V40), S74 (= S75), W75 (≠ S76), A78 (≠ T79), K97 (= K98), W272 (≠ F280), Y280 (= Y288)

3nt2A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor (see paper)
26% identity, 97% coverage: 7:334/338 of query aligns to 2:327/337 of 3nt2A

query
sites
3nt2A

T

S

I

L

D

R

V

I

A

G

V

V

F

I

G
|
G

A

T

G
|
G

R
x
A

I
|
I

G

G

K

K

I

E

H

H

A

I

A

N

N

R

L

I

A

T

R

N

Q

K

-

L

P

S

G

G

V

A

R

E

L

I

K

V

Y

A

V

V

V

T

D
|
D

V
|
V

N

N

R

Q

E

E

A

A

A

Q

A

K

L

V

A

V

A

E

E

Q

H

Y

G

Q

A

L

Q

N

V

A

A

T

-

V

-

Y

-

P

D

N

I

D

D

D

G

S

A

L

M

L

G

A

D

D

A

E

S

N

I

V

G

D

A

A

T

V

V

L

I

V

C

T

S
|
S

S
x
W

T
x
G

D

P

T
x
A

H
|
H

A

E

D

S

L

S

I

V

L

L

Q

K

S

A

A

I

A

K

Q

A

K

Q

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

V

L

D

A

L

T

T

T

L

A

E

E

R

G

A

C

-

M

R

R

A

I

C

V

A

E

D

E

A

E

V

I

E

K

R

V

A

G

G

K

V

R

V

L

C

V

M

Q

I

V

G

G

F

F

Q

M

R

R

F

Y

D

D

P

S

T

G

F

Y

S

V

A

Q

L

L

K

K

A

E

R

A

L

L

D

D

A

N

G

H

E

V

I

I

G

G

T

E

P

P

E

L

M

M

L

I

V

H

V

C

T

A

S

H

R

R

D

N

P

P

G

T

A

V

P

G

P

D

V

-

E

N

Y

Y

I

T

K

T

H

D

S

M

G

A

G

V

I

V

F

-

K

-

D

D

M

T

L

L

I

V

H
|
H

D

E

F

I

D

D

I

V

F

L

R

H

W

W

I

L

L

V

D

N

D

D

E

D

A

Y

E

E

T

S

L

V

H

Q

A

V

T

I

G

Y

S

P

C

K

L

K

S

S

D

K

P

N

A

A

I

L

A

P

E

H

A

L

G

K

D

-

I

-

D

D

S

P

T

Q

A

I

V

V

T

V

I

I

R

E

T

T

K

K

R

G

G

G

R

I

L

V

C

I

Q

N

I

A

N

E

T

I

A

Y

R

V

R

N

A

C

A

K

Y

Y

G

G

Y

Y

D

D

Q

I

R

Q

F

C

E

E

V

I

L

V

G

G

S

E

H

D

G

G

M

I

L

I

Q

K

A

L

G

P

N

-

V

-

R

E

P

P

T

S

E

S

V

I

T

S

A

L

Y

R

S

K

K

E

T

G

E

R

V

F

S

S

S

T

D

D

V

I

P

L

E

-

A

M

F

D

F

W

L

Q

E

R

R

R

Y

F

R

V

A

A

Y
|
Y

A

D

H

V

E

E

I

I

A

Q

H

D

F

F

F

I

D

D

A

S

V

I

T

Q

-

K

H

K

G

G

K

E

P

V

V

S

R

G

T

P

T

T

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

V

L

T

A

T

E

D

A

A

A

C

T

V

R

K

S

A

W

Q

R

E

E

S

G

G

R

Q

A

K

I

E

K

K

L

V

active site: K97 (= K98), H176 (= H179)
binding nicotinamide-adenine-dinucleotide: G9 (= G14), G11 (= G16), A12 (≠ R17), I13 (= I18), D35 (= D39), V36 (= V40), S74 (= S75), W75 (≠ S76), G76 (≠ T77), A78 (≠ T79), H79 (= H80), E96 (= E97), K97 (= K98), H176 (= H179), Y280 (= Y288)

4l8vA Crystal structure of a12k/d35s mutant myo-inositol dehydrogenase from bacillus subtilis with bound cofactor NADP (see paper)
26% identity, 97% coverage: 7:334/338 of query aligns to 2:327/337 of 4l8vA

query
sites
4l8vA

T

S

I

L

D

R

V

I

A

G

V

V

F

I

G

G

A

T

G

G

R
x
K

I
|
I

G

G

K

K

I

E

H

H

A

I

A

N

N

R

L

I

A

T

R

N

Q

K

-

L

P

S

G

G

V

A

R

E

L

I

K

V

Y

A

V

V

V

T

D

S

V

V

N

N

R

Q

E

E

A

A

A

Q

A

K

L

V

A

V

A

E

E

Q

H

Y

G

Q

A

L

Q

N

V

A

A

T

-

V

-

Y

-

P

D

N

I

D

D

D

G

S

A

L

M

L

G

A

D

D

A

E

S

N

I

V

G

D

A

A

T

V

V

L

I

V

C

T

S
|
S

S
x
W

T

G

D

P

T

A

H
|
H

A

E

D

S

L

S

I

V

L

L

Q

K

S

A

A

I

A

K

Q

A

K

Q

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

V

L

D

A

L

T

T

T

L

A

E

E

R

G

A

C

-

M

R

R

A

I

C

V

A

E

D

E

A

E

V

I

E

K

R

V

A

G

G

K

V

R

V

L

C

V

M

Q

I

V

G

G

F

F

Q
x
M

R

R

F

Y

D

D

P

S

T

G

F

Y

S

V

A

Q

L

L

K

K

A

E

R

A

L

L

D

D

A

N

G

H

E

V

I

I

G

G

T

E

P

P

E

L

M

M

L

I

V

H

V

C

T

A

S

H

R

R

D

N

P

P

G

T

A

V

P

G

P

D

V

-

E

N

Y

Y

I

T

K

T

H

D

S

M

G

A

G

V

I

V

F

-

K

-

D

D

M

T

L

L

I

V

H
|
H

D

E

F

I

D

D

I

V

F

L

R

H

W

W

I

L

L

V

D

N

D

D

E

D

A

Y

E

E

T

S

L

V

H

Q

A

V

T

I

G

Y

S

P

C

K

L

K

S

S

D

K

P

N

A

A

I

L

A

P

E

H

A

L

G

K

D

-

I

-

D

D

S

P

T

Q

A

I

V

V

T

V

I

I

R

E

T

T

K

K

R

G

G

G

R

I

L

V

C

I

Q

N

I

A

N

E

T

I

A

Y

R

V

R

N

A

C

A

K

Y

Y

G

G

Y

Y

D

D

Q

I

R

Q

F

C

E

E

V

I

L

V

G

G

S

E

H

D

G

G

M

I

L

I

Q

K

A

L

G

P

N

-

V

-

R

E

P

P

T

S

E

S

V

I

T

S

A

L

Y

R

S

K

K

E

T

G

E

R

V

F

S

S

S

T

D

D

V

I

P

L

E

-

A

M

F

D

F
x
W

L

Q

E

R

R

R

Y

F

R

V

A

A

Y
|
Y

A

D

H

V

E

E

I

I

A

Q

H

D

F

F

F

I

D

D

A

S

V

I

T

Q

-

K

H

K

G

G

K

E

P

V

V

S

R

G

T

P

T

T

V

A

A

W

D

D

G

G

L

Y

K

I

A

A

L

A

E

V

L

T

A

T

E

D

A

A

A

C

T

V

R

K

S

A

W

Q

R

E

E

S

G

G

R

Q

A

K

I

E

K

K

L

V

active site: K97 (= K98), H176 (= H179)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K12 (≠ R17), I13 (= I18), S74 (= S75), W75 (≠ S76), H79 (= H80), E96 (= E97), K97 (= K98), M126 (≠ Q126), W272 (≠ F280), Y280 (= Y288)

3ec7A Crystal structure of putative dehydrogenase from salmonella typhimurium lt2
28% identity, 96% coverage: 7:330/338 of query aligns to 2:322/336 of 3ec7A

query
sites
3ec7A

T

T

I

L

D

K

V

A

A

G

V

I

F

V

G

G

A

I

G
|
G

R
x
M

I
|
I

G

G

K

S

I

D

H

H

A

L

A

R

N

R

L

L

A

A

R

N

Q

T

-

V

P

S

G

G

V

V

R

E

L

V

K

V

Y

A

V

V

V

C

D
|
D

V
x
I

N

V

R

A

E

G

A
x
R

A

A

A

Q

A

A

L

A

A

L

A

D

E

K

H

Y

G

A

A

I

Q

E

V

A

A

K

D

D

I

Y

D

N

G

D

-

Y

-

H

-

D

A

L

M

I

G

N

D

D

A

K

S

D

I

V

G

E

A

V

T

V

V

I

I

I

C
x
T

S
x
A

S
|
S

T
x
N

D

E

T

A

H
|
H

A

A

D

D

L

V

I

A

L

V

Q

A

S

A

A

L

A

N

Q

A

K

N

K

K

H

Y

V

V

F

F

C

C

E
|
E

K
|
K

P

P

V

L

D

A

L

V

T

T

L

A

E

A

R

D

A

C

R

Q

A

R

C

V

A

I

D

E

A

A

V

E

E

Q

R

K

A

N

G

G

V

K

-

R

V

M

C

V

M

Q

I

I

G

G

F

F

Q
x
M

R

R

F

Y

D

D

P

K

T

G

F

Y

S

V

A

Q

L

L

K

K

A

N

R

I

L

I

D

D

A

S

G

G

E

E

I

I

G

G

T

Q

P

P

E

-

M

-

L

L

V

M

V

V

T

H

S

G

R

R

D

H

P

Y

G

N

A

A

P

S

P

T

V

V

E

P

Y

E

I

Y

K

K

H

T

S

P

G

Q

G

A

I

I

F

Y

K

-

D

E

M

T

L

L

I

I

H
|
H

D

E

F

I

D

D

I

V

F

M

R

H

W

W

I

L

L

L

D

N

D

E

E

D

A

Y

E

K

T

T

L

V

H

K

-

V

-

Y

-

F

-

P

-

R

-

Q

-

S

A

S

T

L

G

V

S

T

C

T

L

L

S

R

D

D

P

P

A

Q

I

L

A

-

E

-

A

-

G

-

D

-

I

-

D

-

S

-

T

-

A

-

V

V

T

V

I

M

R

E

T

T

K

T

R

S

G

G

R

I

L

N

C

I

Q

V

I

V

N

E

T

V

A

F

R

V

R

N

A

C

A

Q

Y

Y

G

G

Y

Y

D

D

Q

I

R

H

F

C

E

D

V

V

L

T

G

G

S

E

H

K

G

G

M

M

L

A

Q

E

A

L

G

P

N

T

V

V

R

A

P

S

T

A

E

A

V

V

T

R

A

K

Y

A

S

A

K

K

-

Y

-

S

T

T

E

D

V

I

S

L

S

V

D

D

V

-

P

-

E

-

A

-

F

-

F
x
W

L

K

E

Q

R

R

Y

F

R

I

A

D

A

A

Y
|
Y

A

D

H

I

E

E

I

F

A

Q

H

D

F

F

D

D

A

R

V

L

T

N

H

A

G

G

-

L

K

P

P

P

V

A

R

G

T

P

T

T

V

S

A

W

D

D

G

G

L

Y

K

L

A

A

L

A

E

V

L

T

A

A

E

D

A

A

A

C

T

V

R

K

S

S

W

Q

R

E

E

T

G

G

R

N

active site: K97 (= K98), H176 (= H179)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), M12 (≠ R17), I13 (= I18), D35 (= D39), I36 (≠ V40), R40 (≠ A44), T73 (≠ C74), A74 (≠ S75), S75 (= S76), N76 (≠ T77), H79 (= H80), E96 (= E97), K97 (= K98), M126 (≠ Q126), W271 (≠ F280), Y279 (= Y288)

6norA Crystal structure of gend2 from gentamicin a biosynthesis in complex with NAD (see paper)
29% identity, 93% coverage: 22:334/338 of query aligns to 27:347/349 of 6norA

query
sites
6norA

H

H

A

A

A

E

N

V

L

L

A

T

R

A

Q

D

P

P

G

R

V

V

R

D

L

L

K

R

Y

W

V

V

D
|
D

V
x
R

N

D

R

E

E

R

A

V

A

G

A

T

A

D

L

L

A

A

A

T

E

R

H

F

G

G

A

A

Q

R

V

V

A

T

D

T

-

T

I

L

D

D

G

E

A

A

M

L

G

A

D

D

A

D

S

T

I

V

G

R

A

F

T

V

V

V

I

V

C
x
A

S
x
T

S
x
P

T

A

D

A

T

T

H
|
H

A

E

D

P

L

I

I

A

L

A

Q

Q

S

V

A

I

A

A

Q

A

K

G

K

R

H

N

V

V

F

L

C

V

E
|
E

K
|
K

P

P

V

L

D

V

L

L

T

S

L

T

E

G

R

H

A

A

R

R

A

Q

C

L

A

A

D

A

A

A

V

A

E

H

R

E

A

R

G

G

V

V

C

L

M

A

I

H

G

G

F

G

Q
x
N

R

F

R

V

F

Y

D

A

P

P

T

K

F

F

-

V

S

R

A

A

L

H

K

E

A

L

R

A

L

A

D

D

A

R

G

E

E

A

I

L

G

G

T

T

P

V

E

H

M

S

L

V

V

R

V

V

T

A

S

F

R

R

D

T

P

S

G

G

A

-

P

P

P

D

V
x
T

E

D

Y
x
W

I

F

K

R

H

S

S

K

-

A

-

T

-

A

-

G

G

G

I

A

F

L

K

T

D

D

M

L

L

G

I

W

H

H

D

A

F

V

D

E

I

L

F

C

R

R

W

W

I

M

L

L

D

G

D

K

E

P

A

A

E

-

T

-

L

I

H

R

A

A

T

V

G

T

S

A

C

C

L

T

S

R

D

Q

P

-

A

-

I

L

A

S

E

A

A

A

G

G

D

D

I

V

-

E

D

D

S

Q

T

G

A

V

V

V

T

L

I

I

R

E

T

F

K

A

R

D

G

G

R

A

L

I

C

G

Q

Q

I

C

N

D

T

V

A

S

R

W

R

A

A

C

A

P

Y

G

G

G

Y

E

D

Q

Q

L

R

T

F

V

E

E

V

V

L

I

G

G

S

T

H

E

G

G

M

L

L

V

Q

T

A

A

G

D

N

L

V

W

R

Q

P

G

T

M

E

G

V

V

T

E

A

A

Y

Y

S

T

K

N

T

T

E

K

V

F

S

G

S

A

D

V

V

W

-

E

P

P

E

N

A

Q

F

G

F

W

L

L

-

R

-

P

-

E

-

W

E

E

R

W

Y

I

R

R

-

N

A

S

A

G

Y
|
Y

A

V

H

H

E

Q

I

D

A

R

H

Q

F

V

D

D

A

A

V

V

T

L

H

D

G

G

K

R

P

P

V

M

R

T

T

H

T

T

V

P

A

D

D

D

G

A

L

V

K

A

A

V

L

V

E

E

L

T

A

L

E

E

A

A

T

Y

R

R

S

S

W

A

R

A

E

D

G

G

R

R

A

K

I

V

K

E

L

M

binding nicotinamide-adenine-dinucleotide: D44 (= D39), R45 (≠ V40), A80 (≠ C74), T81 (≠ S75), P82 (≠ S76), H86 (= H80), E103 (= E97), K104 (= K98), N132 (≠ Q126), T169 (≠ V163), W171 (≠ Y165), Y301 (= Y288)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 22, 23

8qc6A Crystal structure of NAD-dependent glycoside hydrolase from arthrobacter sp. U41 in complex with NAD+ and sulfoquinovose (sq) (see paper)
25% identity, 98% coverage: 3:334/338 of query aligns to 1:365/366 of 8qc6A

query
sites
8qc6A

D

E

G

A

A

V

K

R

T

T

I

I

D

R

V

Y

A

G

V

L

F

I

G

G

A

A

G

G

R
x
H

I
x
M

G

A

K

R

I

E

H

H

A

V

A

R

N

N

L

L

A

A

R

L

Q

I

P

P

G

G

V

S

R

L

L

I

K

T

Y

A

V

V

V

S

D
|
D

V
x
P

N

Q

R

P

E

S

A
x
S

A

L

A

E

L

T

A

V

A

A

E

E

H

I

G

G

A

Y

Q

E

V

V

A

T

-

T

-

F

-

P

D

D

I

H

D

R

G

E

A

L

M

L

G

V

D

S

A

G

S

L

I

V

G

D

A

A

T

L

V

V

I

I

C
x
A

S
|
S

S
x
P

T
x
N

D

D

T

T

H
|
H

A

L

D

D

L

I

I

L

-

K

-

D

L

I

Q

F

S

S

A

N

A

Q

Q

M

K

K

K

L

H

P

V

V

F

L

C

V

E
|
E

K
|
K

P

P

V

V

D

C

L

T

T

T

L

A

E

A

R

Q

A

A

R

D

A

E

C

L

A

E

D

S

A

L

V

A

E

A

R

G

A

Y

G

S

V

A

V

P

C

V

M

W

I

V

G

A

F

M

Q
x
E

R
x
Y

R

R

F

Y

D

M

P

P

T

P

F

V

S

Q

A

E

L

L

K

I

A

Q

R

A

L

A

D

H

A

G

G

G

E

K

I

L

G

G

T

N

P

V

E

F

M

M

L

L

-

S

V

I

V

V

T

E

S

H

R
|
R

D

F

P

P

G
x
F

A
x
L

P

H

P
x
K

V
|
V

E

D

-

A

-
x
W

-

N

-

R

Y

F

I

N

K

E

H

R

S

T

G

G

I

T

F

L

K

V

D
x
E

M
x
K

L

C

I

C

H
|
H

D

F

F

F

D

D

I

L

F

M

R

R

W

L

I

I

L

L

D

Q

D

D

E

E

A

P

E

T

T

R

L

I

H

Y

A

A

T

S

G

G

-

G

-

H

-

D

-

V

S

N

C

H

L

M

S

D

D

E

P

L

A

Y

I

E

A

G

E

R

A

V

G

S

D

D

-

M

I

I

D

D

S

N

T

A

A

Y

V

V

T

V

I

V

R

D

T

F

K

K

R

S

G

G

R

R

L

R

C

A

Q

M

I

L

N

E

T

L

A

S

R

M

R

F

A

A

-

E

A

G

Y

S

G

K

Y

F

D

Q

Q

E

R

R

F

I

E

S

V

I

L

V

G

G

S

D

H

A

G

A

M

K

L

I

Q

E

A

C

-

L

-

I

-

P

-

V

-

A

-

S

-

H

-

W

-

I

-

E

G

G

N

D

V

E

R

S

P

E

T

A

E

V

V

V

T

E

A

F

Y

S

S

P

K

R

T

S

E

P

V

L

S

G

S

P

D

E

V

T

P

H

E

E

A

V

F

P

F

V

L

D

E

E

R

A

Y

V

R

L

A

A

Y

G

A

A

H
|
H

E

H

I

G

A

S

H

T

F

Y

D

E

A

H

V

L

T

G

H

Y

G

R

K

K

-

A

-

I

-

L

-

G

-

E

-

G

P

P

V

V

R

E

T

V

T

T

V

V

A

A

D

D

G

G

L

L

K

Q

A

S

L

V

E

R

L

M

A

G

E

L

A

A

T

E

R

R

S

S

W

I

R

I

E

E

G

G

R

R

A

P

I

V

K

E

L

L

binding nicotinamide-adenine-dinucleotide: H15 (≠ R17), M16 (≠ I18), D37 (= D39), P38 (≠ V40), S42 (≠ A44), A75 (≠ C74), S76 (= S75), P77 (≠ S76), N78 (≠ T77), H81 (= H80), E100 (= E97), K101 (= K98), E129 (≠ Q126), K166 (≠ P162), V167 (= V163), W170 (vs. gap), H315 (= H290)
binding sulfoquinovose: K101 (= K98), Y130 (≠ R127), R160 (= R156), F163 (≠ G159), L164 (≠ A160), K166 (≠ P162), E183 (≠ D175), K184 (≠ M176), H187 (= H179), H315 (= H290)

8qc8D Crystal structure of NAD-dependent glycoside hydrolase from flavobacterium sp. (Strain k172) in complex with co-factor NAD+ (see paper)
24% identity, 97% coverage: 7:334/338 of query aligns to 1:338/339 of 8qc8D

query
sites
8qc8D

T

T

I

I

D

R

V

Y

A

G

V

L

F

I

G

G

A

A

G
|
G

R
x
H

I
x
M

G

A

K

R

I

E

H

H

A

V

A

R

N

N

L

L

A

A

R

L

Q

I

P

P

G

G

V

S

R

L

L

I

K

T

Y

A

V

V

V

A

D
|
D

V
x
P

N
x
T

R

P

E

S

A
x
S

A

L

A

E

L

T

A

A

A

R

E

E

H

I

G

G

A

Y

Q

D

V

V

A

Q

D

T

I

F

D

S

G

A

-

H

-

K

-

D

A

L

M

L

G

A

D

S

A

G

S

L

I

V

G

D

A

A

T

L

V

V

I

I

C
x
A

S
|
S

S
x
P

T
x
N

D

D

T

T

H
|
H

A

L

D

E

L

I

I

L

-

K

-

D

L

I

Q

F

S

A

A

S

A

G

Q

T

K

N

K

L

H

P

V

V

F

L

C

V

E
|
E

K
|
K

P

P

V

V

D

C

L

T

T

S

L

A

E

E

R

Q

A

A

R

D

A

E

C

L

A

E

D

E

A

L

V

A

E

A

R

T

A

Y

G

T

V

A

V

P

C

V

M

W

I

V

G

A

F

M

Q
x
E

R

Y

R

R

F

Y

D

M

P

P

T

P

F

V

S

Q

A

E

L

I

K

I

A

Q

R

A

L

A

D

H

A

S

G

G

E

K

I

L

G

G

T

N

P

I

E

H

M

M

L

L

-

S

V

I

V

V

T

E

S

H

R

R

D

F

P

P

G

F

A

L

P

H

P
x
K

V
|
V

E

D

-

A

-
x
W

-

N

-

R

Y

F

I

A

K

E

H

R

S

T

G

G

I

T

F

L

K

V

D

E

M

K

L

C

I

C

H

H

D

F

F

F

D

D

I

L

F

M

R

R

W

L

I

I

L

L

D

Q

D

D

E

E

A

P

E

T

T

R

L

I

H

Y

A

A

T

S

G

G

S

G

C

H

L

-

S

-

D

-

P

-

A

D

I

V

A

N

E

H

A

S

G

D

D

M

I

V

D

D

S

N

T

A

A

Y

V

V

T

I

I

V

R

D

T

F

K

K

R

G

G

G

R

R

L

R

C

A

Q

M

I

L

N

E

T

L

A

S

R

M

R

F

A

A

-

E

A

G

Y

S

G

K

Y

F

D

Q

Q

E

R

R

F

I

E

S

V

I

L

V

G

G

S

D

H

A

G

A

M

K

L

I

Q

E

A

-

G

-

N

-

V

-

R

-

P

-

T

T

E

L

V

I

T

P

A

V

Y

A

S

A

K

N

T

H

E

W

V

I

S

E

S

G

D

D

V

E

P

T

E

E

A

A

F

T

F

V

L

E

E

F

R

S

Y

P

R

R

A

S

A

P

Y

L

A

G

-

P

-

E

-

K

H

H

E

E

I

V

A

S

H

T

F

Y

D

E

A

H

V

L

T

G

H

Y

G

R

K

K

-

A

-

I

-

L

-

G

-

E

-

G

P

P

V

V

R

D

T

V

T

T

V

V

A

A

D

D

G

G

L

L

K

Q

A

S

L

V

E

R

L

M

A

G

E

L

A

A

T

E

R

Q

S

S

W

I

R

I

E

E

G

G

R

R

A

A

I

V

K

E

L

L

binding nicotinamide-adenine-dinucleotide: G10 (= G16), H11 (≠ R17), M12 (≠ I18), D33 (= D39), P34 (≠ V40), T35 (≠ N41), S38 (≠ A44), A71 (≠ C74), S72 (= S75), P73 (≠ S76), N74 (≠ T77), H77 (= H80), E96 (= E97), K97 (= K98), E125 (≠ Q126), K162 (≠ P162), V163 (= V163), W166 (vs. gap)

8qc8B Crystal structure of NAD-dependent glycoside hydrolase from flavobacterium sp. (Strain k172) in complex with co-factor NAD+ (see paper)
24% identity, 98% coverage: 5:334/338 of query aligns to 3:365/367 of 8qc8B

query
sites
8qc8B

A

A

K

Q

T

T

I

I

D

R

V

Y

A

G

V

L

F

I

G

G

A

A

G

G

R
x
H

I
x
M

G

A

K

R

I

E

H

H

A

V

A

R

N

N

L

L

A

A

R

L

Q

I

P

P

G

G

V

S

R

L

L

I

K

T

Y

A

V

V

V

A

D
|
D

V
x
P

N
x
T

R

P

E

S

A
x
S

A

L

A

E

L

T

A

A

A

R

E

E

H

I

G

G

A

Y

Q

D

V

V

A

Q

D

T

I

F

D

S

G

A

-

H

-

K

-

D

A

L

M

L

G

A

D

S

A

G

S

L

I

V

G

D

A

A

T

L

V

V

I

I

C
x
A

S
|
S

S
x
P

T
x
N

D

D

T

T

H
|
H

A

L

D

E

L

I

I

L

-

K

-

D

L

I

Q

F

S

A

A

S

A

G

Q

T

K

N

K

L

H

P

V

V

F

L

C

V

E
|
E

K
|
K

P

P

V

V

D

C

L

T

T

S

L

A

E

E

R

Q

A

A

R

D

A

E

C

L

A

E

D

E

A

L

V

A

E

A

R

T

A

Y

G

T

V

A

V

P

C

V

M

W

I

V

G

A

F

M

Q
x
E

R

Y

R

R

F

Y

D

M

P

P

T

P

F

V

S

Q

A

E

L

I

K

I

A

Q

R

A

L

A

D

H

A

S

G

G

E

K

I

L

G

G

T

N

P

I

E

H

M

M

L

L

-

S

V

I

V

V

T

E

S

H

R

R

D

F

P

P

G

F

A

L

P

H

P
x
K

V
|
V

E

D

-

A

-
x
W

-

N

-

R

Y

F

I

A

K

E

H

R

S

T

G

G

I

T

F

L

K

V

D

E

M

K

L

C

I

C

H

H

D

F

F

F

D

D

I

L

F

M

R

R

W

L

I

I

L

L

D

Q

D

D

E

E

A

P

E

T

T

R

L

I

H

Y

A

A

T

S

G

G

S

G

C

H

-

D

-

V

-

N

-

H

-

M

-

D

-

E

L

V

S

Y

D

D

P

G

A

L

I

I

A

S

E

D

A

M

G

-

D

-

I

V

D

D

S

N

T

A

A

Y

V

V

T

I

I

V

R

D

T

F

K

K

R

G

G

G

R

R

L

R

C

A

Q

M

I

L

N

E

T

L

A

S

R

M

R

F

A

A

-

E

A

G

Y

S

G

K

Y

F

D

Q

Q

E

R

R

F

I

E

S

V

I

L

V

G

G

S

D

H

A

G

A

M

K

L

I

Q

E

A

T

-

L

-

I

-

P

-

V

-

A

-

N

-

H

-

W

-

I

-

E

G

G

N

D

V

E

R

T

P

E

T

A

E

T

V

V

T

E

A

F

Y

S

S

P

K

R

T

S

E

P

V

L

S

G

S

P

D

E

V

K

P

H

E

E

A

V

F

P

F

V

L

D

E

E

R

A

Y

V

R

L

A

A

Y

G

A

A

H
|
H

E

H

I

G

A

S

H

T

F

Y

D

E

A

H

V

L

T

G

H

Y

G

R

K

K

-

A

-

I

-

L

-

G

-

E

-

G

P

P

V

V

R

D

T

V

T

T

V

V

A

A

D

D

G

G

L

L

K

Q

A

S

L

V

E

R

L

M

A

G

E

L

A

A

T

E

R

Q

S

S

W

I

R

I

E

E

G

G

R

R

A

A

I

V

K

E

L

L

binding nicotinamide-adenine-dinucleotide: H15 (≠ R17), M16 (≠ I18), D37 (= D39), P38 (≠ V40), T39 (≠ N41), S42 (≠ A44), A75 (≠ C74), S76 (= S75), P77 (≠ S76), N78 (≠ T77), H81 (= H80), E100 (= E97), K101 (= K98), E129 (≠ Q126), K166 (≠ P162), V167 (= V163), W170 (vs. gap), H315 (= H290)

8qc2A Crystal structure of NAD-dependent glycoside hydrolase from flavobacterium sp. (Strain k172) in complex with co-factor NAD+ and sulfoquinovose (sq) (see paper)
24% identity, 98% coverage: 5:334/338 of query aligns to 1:363/363 of 8qc2A

query
sites
8qc2A

A

A

K

Q

T

T

I

I

D

R

V

Y

A

G

V

L

F

I

G

G

A

A

G
|
G

R
x
H

I
x
M

G

A

K

R

I

E

H

H

A

V

A

R

N

N

L

L

A

A

R

L

Q

I

P

P

G

G

V

S

R

L

L

I

K

T

Y

A

V

V

V

A

D
|
D

V
x
P

N
x
T

R

P

E

S

A
x
S

A

L

A

E

L

T

A

A

A

R

E

E

H

I

G

G

A

Y

Q

D

V

V

A

Q

D

T

I

F

D

S

G

A

-

H

-

K

-

D

A

L

M

L

G

A

D

S

A

G

S

L

I

V

G

D

A

A

T

L

V

V

I

I

C
x
A

S
|
S

S
x
P

T
x
N

D

D

T

T

H
|
H

A

L

D

E

L

I

I

L

-

K

-

D

L

I

Q

F

S

A

A

S

A

G

Q

T

K

N

K

L

H

P

V

V

F

L

C

V

E
|
E

K
|
K

P

P

V

V

D

C

L

T

T

S

L

A

E

E

R

Q

A

A

R

D

A

E

C

L

A

E

D

E

A

L

V

A

E

A

R

T

A

Y

G

T

V

A

V

P

C

V

M

W

I

V

G

A

F

M

Q
x
E

R
x
Y

R

R

F

Y

D

M

P

P

T

P

F

V

S

Q

A

E

L

I

K

I

A

Q

R

A

L

A

D

H

A

S

G

G

E

K

I

L

G

G

T

N

P

I

E

H

M

M

L

L

-

S

V

I

V

V

T

E

S

H

R
|
R

D

F

P

P

G
x
F

A
x
L

P

H

P
x
K

V
|
V

E

D

-

A

-
x
W

-

N

-

R

Y

F

I

A

K

E

H

R

S

T

G

G

I

T

F

L

K

V

D
x
E

M

K

L

C

I

C

H
|
H

D

F

F

F

D

D

I

L

F

M

R

R

W

L

I

I

L

L

D

Q

D

D

E

E

A

P

E

T

T

R

L

I

H

Y

A

A

T

S

G

G

S

G

C

H

-

D

-

V

-

N

-

H

-

M

-

D

-

E

L

V

S

Y

D

D

P

G

A

L

I

I

A

S

E

D

A

M

G

-

D

-

I

V

D

D

S

N

T

A

A

Y

V

V

T

I

I

V

R

D

T

F

K

K

R

G

G

G

R

R

L

R

C

A

Q

M

I

L

N

E

T

L

A

S

R

M

R

F

A

A

-

E

A

G

Y

S

G

K

Y

F

D

Q

Q

E

R

R

F

I

E

S

V

I

L

V

G

G

S

D

H

A

G

A

M

K

L

I

Q

E

A

T

-

L

-

I

-

P

-

V

-

A

-

N

-

H

-

W

-

I

-

E

G

G

N

D

V

E

R

T

P

E

T

A

E

T

V

V

T

E

A

F

Y

S

S

P

K

R

T

S

E

P

V

L

S

G

S

P

D

E

V

K

P

H

E

E

A

V

F

P

F

V

L

D

E

E

R

A

Y

V

R

L

A

A

Y

G

A

A

H
|
H

E

H

I

G

A

S

H

T

F

Y

D

E

A

H

V

L

T

G

H

Y

G

R

K

K

-

A

-

I

-

L

-

G

-

E

-

G

P

P

V

V

R

D

T

V

T

T

V

V

A

A

D

D

G

G

L

L

K

Q

A

S

L

V

E

R

L

M

A

G

E

L

A

A

T

E

R

Q

S

S

W

I

R

I

E

E

G

G

R

R

A

A

I

V

K

E

L

L

binding nicotinamide-adenine-dinucleotide: G12 (= G16), H13 (≠ R17), M14 (≠ I18), D35 (= D39), P36 (≠ V40), T37 (≠ N41), S40 (≠ A44), A73 (≠ C74), S74 (= S75), P75 (≠ S76), N76 (≠ T77), H79 (= H80), E98 (= E97), K99 (= K98), E127 (≠ Q126), K164 (≠ P162), V165 (= V163), W168 (vs. gap), H313 (= H290)
binding sulfoquinovose: K99 (= K98), Y128 (≠ R127), R158 (= R156), F161 (≠ G159), L162 (≠ A160), K164 (≠ P162), E181 (≠ D175), H185 (= H179), H313 (= H290)

2glxA Crystal structure analysis of bacterial 1,5-af reductase (see paper)
27% identity, 94% coverage: 17:334/338 of query aligns to 2:328/332 of 2glxA

query
sites
2glxA

R

R

I

W

G

G

K

L

I

I

H
x
G

A
|
A

A
x
S

N
x
T

L
x
I

A

A

R

R

Q

E

-

W

-

V

-

I

-

G

-

A

-

I

-

R

-

A

P

T

G

G

V

G

R

E

L

V

K

V

Y

S

V

M

D
x
S

V
x
T

N

S

R

A

E

E

A
x
R

A

G

A

A

L

Y

A

A

A

T

E

E

H

N

G

G

-

I

-

G

A

K

Q

S

V

V

A

T

D

S

I

V

D

E

G

E

A

L

M

V

G

G

D

D

A

P

S

D

I

V

G

D

A

A

T

V

V

Y

I

V

C
x
S

S
x
T

S

T

T
x
N

D

E

T

L

H
|
H

A

R

D

E

L

Q

I

T

L

L

Q

A

S

A

A

I

A

R

Q

A

K

G

K

K

H

H

V

V

F

L

C

C

E
|
E

K
|
K

P

P

V

L

D

A

L

M

T

T

L

L

E

E

R

D

A

A

R

R

A

E

C

M

A

V

D

V

A

A

V

A

E

R

R

E

A

A

G

G

V

V

C

L

M

G

I

T

G

N

F

H

Q
x
H

R

L

R

R

F

N

D

A

P

A

T

A

F

H

S

R

A

A

L

M

K

R

A

D

R

A

L

I

D

A

A

E

G

G

E

R

I

I

G

G

T

R

P

P

E

-

M

-

L

-

V

-

V

I

T

A

S

A

R

R

D

V

P

F

G

H

A

A

-

V

-

Y

-

L

P

P

-

H

-

L

-

Q

-

G

-
x
W

-
x
R

V

L

E

E

Y

R

I

P

K

E

H

A

S

G

G

G

I

V

F

I

K

L

D

D

M

I

L

T

I

V

H
|
H

D

D

F

A

D

D

I

T

F

L

R

R

W

F

I

V

L

L

-

N

D

D

E

P

A

A

E

E

T

A

L

V

H

A

A

I

T

S

G

H

S

S

C

A

L

-

S

-

D

-

P

-

A

G

I

M

A

G

E

K

A

E

G

G

D

V

I

E

D

D

S

G

T

V

A

M

V

G

T

V

I

L

R

R

T

F

K

Q

R

S

G

G

R

V

L

I

C

A

Q

Q

I

F

N

H

T

D

A

A

R

F

R

T

A

T

A

K

Y

F

G

A

Y

-

D

E

Q

T

R

G

F

F

E

E

V

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active site: K93 (= K98), H179 (= H179)
binding acetate ion: K93 (= K98), H179 (= H179)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (≠ H22), A8 (= A23), S9 (≠ A24), T10 (≠ N25), I11 (≠ L26), S32 (≠ D39), T33 (≠ V40), R37 (≠ A44), S69 (≠ C74), T70 (≠ S75), N72 (≠ T77), H75 (= H80), E92 (= E97), K93 (= K98), H121 (≠ Q126), W161 (vs. gap), R162 (vs. gap), Y282 (= Y288)

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)
27% identity, 94% coverage: 17:334/338 of query aligns to 3:329/333 of Q2I8V6

query
sites
Q2I8V6

R

R

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x
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ASTI 9:12 (≠ AANL 23:26) binding
S10 (≠ A24) mutation to G: Almost no effect.
A13 (= A27) mutation to G: Can use NAD as cosubstrate as well as NADP.
S33 (≠ D39) mutation to D: No activity.
ST 33:34 (≠ DV 39:40) binding
R38 (≠ A44) binding
TTNELH 71:76 (≠ SSTDTH 75:80) binding
EK 93:94 (= EK 97:98) binding
K94 (= K98) mutation to G: Less than 1% remaining activity.
N120 (≠ G124) binding
WR 162:163 (vs. gap) binding
D176 (= D175) mutation to A: Less than 1% remaining activity.
H180 (= H179) mutation to A: Less than 2% remaining activity.
G206 (≠ A208) mutation to I: No effect.
Y283 (= Y288) binding

6jw8A The crystal structure of kand2 in complex with nadh and 3"-deamino-3"- hydroxykanamycin b (see paper)
26% identity, 97% coverage: 8:334/338 of query aligns to 2:336/342 of 6jw8A

query
sites
6jw8A

I

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D

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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 (≠ S155), N154 (≠ D157), D175 (= D175), L176 (≠ M176), H179 (= H179), E236 (≠ Y240), W271 (vs. gap)
binding 1,4-dihydronicotinamide adenine dinucleotide: G10 (= G16), F11 (≠ R17), M12 (≠ I18), D33 (= D39), L34 (≠ V40), T70 (≠ C74), T71 (≠ S75), P72 (≠ S76), N73 (≠ T77), L75 (≠ T79), H76 (= H80), Q79 (≠ L83), E93 (= E97), K94 (= K98), N122 (≠ Q126), W161 (≠ Y165), H179 (= H179), Y290 (= Y288)

Query Sequence

>BPHYT_RS13885 FitnessBrowser__BFirm:BPHYT_RS13885
MTDGAKTIDVAVFGAGRIGKIHAANLARQPGVRLKYVVDVNREAAAALAAEHGAQVADID
GAMGDASIGATVICSSTDTHADLILQSAAQKKHVFCEKPVDLTLERARACADAVERAGVV
CMIGFQRRFDPTFSALKARLDAGEIGTPEMLVVTSRDPGAPPVEYIKHSGGIFKDMLIHD
FDIFRWILDDEAETLHATGSCLSDPAIAEAGDIDSTAVTIRTKRGRLCQINTARRAAYGY
DQRFEVLGSHGMLQAGNVRPTEVTAYSKTEVSSDVPEAFFLERYRAAYAHEIAHFFDAVT
HGKPVRTTVADGLKALELAEAATRSWREGRAIKLGEAS

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