SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SM_b20899 FitnessBrowser__Smeli:SM_b20899 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
31% identity, 95% coverage: 2:316/330 of query aligns to 2:329/340 of 4n54A

query
sites
4n54A

T

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active site: K96 (= K93), H183 (= H174)
binding (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol: R12 (= R12), K96 (= K93), D156 (= D152), F167 (vs. gap), D179 (= D170), M180 (= M171), H183 (= H174), R238 (= R229), Y244 (= Y235), F284 (= F275)
binding 1,4-dihydronicotinamide adenine dinucleotide: V8 (≠ L8), G9 (= G9), L10 (≠ A10), G11 (= G11), R12 (= R12), L13 (≠ I13), S35 (≠ D34), V36 (≠ A35), V37 (≠ F36), E40 (≠ A39), V72 (≠ C69), S73 (≠ T70), P74 (= P71), S75 (≠ T72), F77 (≠ T74), H78 (= H75), Q81 (≠ L78), E95 (= E92), K96 (= K93), M125 (≠ N121), F167 (vs. gap), H183 (= H174), F284 (= F275), F292 (≠ Y283)

3ceaA Crystal structure of myo-inositol 2-dehydrogenase (np_786804.1) from lactobacillus plantarum at 2.40 a resolution
28% identity, 96% coverage: 3:320/330 of query aligns to 5:331/342 of 3ceaA

query
sites
3ceaA

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active site: K98 (= K93), H185 (= H174)
binding nicotinamide-adenine-dinucleotide: I10 (≠ L8), G11 (= G9), L12 (≠ A10), G13 (= G11), R14 (= R12), L15 (≠ I13), C36 (≠ A33), A37 (≠ D34), L38 (≠ A35), Q42 (≠ A39), V74 (≠ C69), A75 (≠ T70), P76 (= P71), T77 (= T72), F79 (≠ T74), H80 (= H75), M83 (≠ L78), E97 (= E92), K98 (= K93), P99 (= P94), M127 (≠ N121), F169 (vs. gap), H185 (= H174), F286 (= F275), F294 (≠ Y283)

3nt5A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor and product inosose (see paper)
28% identity, 97% coverage: 1:320/330 of query aligns to 1:318/337 of 3nt5A

query
sites
3nt5A

M

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active site: K97 (= K93), H176 (= H174)
binding (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone: K97 (= K93), R127 (= R122), H155 (≠ S150), N157 (≠ D152), D172 (= D170), H176 (= H174), Y235 (= Y235)
binding nicotinamide-adenine-dinucleotide: I8 (≠ L8), G9 (= G9), T10 (≠ A10), G11 (= G11), A12 (≠ R12), I13 (= I13), T34 (≠ A33), D35 (= D34), V36 (≠ A35), N37 (≠ F36), S74 (≠ T70), W75 (≠ P71), G76 (≠ T72), A78 (≠ T74), H79 (= H75), E96 (= E92), K97 (= K93), M126 (≠ N121), Y280 (= Y283)

3nt4A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor nadh and inositol (see paper)
28% identity, 97% coverage: 1:320/330 of query aligns to 1:318/337 of 3nt4A

query
sites
3nt4A

M

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A

Q

V

L

R

K

K

E

A

A

I

L

D

D

D

N

G

H

R

V

I

I

G

G

E

E

V

P

E

L

M

M

V

I

T

H

I

C

T

A

S
x
H

R

R

D
x
N

P

P

S

T

A

V

P

G

P

D

V

-

D

N

Y

Y

I

T

K

T

R

D

S

M

G

A

G

V

I

V

F

-

R

-

D

D

M

T

T

L

I

V

H
|
H

D

E

F

I

D

D

M

V

A

L

R

H

F

W

L

L

L

V

G

N

E

D

P

Y

V

E

S

S

V

V

T

-

A

-

T

-

A

-

A

Q

V

V

L

I

I

Y

D

P

K

K

A

K

I

S

G

K

D

N

A

A

G

L

D

P

Y

H

-

L

-

K

D

D

S

P

V

Q

S

I

V

V

I

V

L

I

Q

E

T

T

A

K

S

G

G

G

K

-

Q

-

A

-

I

I

I

V

S

I

N

N

S

A

R

E

-

I

-

Y

-

V

R

N

A

C

T

K

Y

Y

G

G

Y
|
Y

D

D

Q

I

R

Q

I

C

E

E

V

I

H

V

G

G

S

E

K

D

G

G

A

I

V

I

A

K

A

L

E

P

N

-

Q

-

R

E

P

P

V

S

S

S

I

I

E

S

I

L

A

R

T

K

G

E

D

G

G

R

Y

F

T

S

R

T

P

D

P

I

L

L

H

M

D

D

F

-

F
x
W

M

Q

T

R

R

R

Y

F

T

V

E

A

A

A

Y
|
Y

A

D

N

V

E

E

I

I

E

Q

S

D

F

F

I

I

A

D

A

S

I

I

E

Q

K

K

G

K

A

G

E

E

I

V

A

S

-

G

P

P

S

T

G

A

N

W

D

D

G

G

L

Y

A

I

A

A

L

A

A

V

L

T

A

T

D

D

A

A

A

C

V

V

R

K

S

A

active site: K97 (= K93), H176 (= H174)
binding 1,2,3,4,5,6-hexahydroxy-cyclohexane: K97 (= K93), H155 (≠ S150), N157 (≠ D152), H176 (= H174), Y235 (= Y235), W272 (≠ F275)
binding 1,4-dihydronicotinamide adenine dinucleotide: I8 (≠ L8), G9 (= G9), G11 (= G11), A12 (≠ R12), I13 (= I13), T34 (≠ A33), D35 (= D34), V36 (≠ A35), N37 (≠ F36), T73 (≠ C69), S74 (≠ T70), W75 (≠ P71), G76 (≠ T72), A78 (≠ T74), H79 (= H75), E96 (= E92), K97 (= K93), G124 (= G119), M126 (≠ N121), H176 (= H174), Y280 (= Y283)

3nt2B Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor (see paper)
28% identity, 97% coverage: 1:320/330 of query aligns to 1:318/337 of 3nt2B

query
sites
3nt2B

M

M

T

S

V

L

R

R

F

I

G

G

L

V

L
x
I

G
|
G

A

T

G
|
G

R
x
A

I
|
I

G

G

K

K

V

E

H

H

A

I

K

N

A

R

V

I

S

T

G

N

N

K

-

L

A

S

D

G

A

A

R

E

L

I

V

V

A

A

V

V

A
x
T

D
|
D

A
x
V

F

N

P

Q

A

E

A

A

E

Q

A

K

I

V

A

V

G

E

A

Q

Y

Y

G

Q

C

L

E

N

V

A

R

T

T

V

I

Y

-

P

-

N

-

D

D

D

A

S

I

L

E

L

A

A

A

D

A

E

D

N

I

V

D

D

A

A

V

V

V

L

I

V

C

T

T
x
S

P
x
W

T
x
G

D

P

T
x
A

H
|
H

A

E

D

S

L

S

I

V

E

L

R

K

F

A

A

I

R

K

A

A

G

Q

K

K

A

Y

I

V

F

F

C

C

E
|
E

K
|
K

P
|
P

I

L

D

A

L

T

D

T

A

A

E

E

R

-

V

-

R

-

A

G

C

C

L

M

K

R

V

I

V

V

S

E

D

E

T

E

-

I

-

K

-

V

-

G

K

K

A

R

K

L

L

V

M

Q

V

V

G

G

F

F

N
x
M

R

R

F

Y

D

D

P

S

H

G

F

Y

M

V

A

Q

V

L

R

K

K

E

A

A

I

L

D

D

D

N

G

H

R

V

I

I

G

G

E

E

V

P

E

L

M

M

V

I

T

H

I

C

T

A

S

H

R

R

D

N

P

P

S

T

A

V

P

G

P

D

V

-

D

N

Y

Y

I

T

K

T

R

D

S

M

G

A

G

V

I

V

F

-

R

-

D

D

M

T

T

L

I

V

H
|
H

D

E

F

I

D

D

M

V

A

L

R

H

F

W

L

L

L

V

G

N

E

D

P

Y

V

E

S

S

V

V

T

-

A

-

T

-

A

-

A

Q

V

V

L

I

I

Y

D

P

K

K

A

K

I

S

G

K

D

N

A

A

G

L

D

P

Y

H

-

L

-

K

D

D

S

P

V

Q

S

I

V

V

I

V

L

I

Q

E

T

T

A

K

S

G

G

G

K

-

Q

-

A

-

I

I

I

V

S

I

N

N

S

A

R

E

-

I

-

Y

-

V

R

N

A

C

T

K

Y

Y

G

G

Y

Y

D

D

Q

I

R

Q

I

C

E

E

V

I

H

V

G

G

S

E

K

D

G

G

A

I

V

I

A

K

A

L

E

P

N

-

Q

-

R

E

P

P

V

S

S

S

I

I

E

S

I

L

A

R

T

K

G

E

D

G

G

R

Y

F

T

S

R

T

P

D

P

I

L

L

H

M

D

D

F

-

F
x
W

M

Q

T

R

R

R

Y

F

T

V

E

A

A

A

Y
|
Y

A

D

N

V

E

E

I

I

E

Q

S

D

F

F

I

I

A

D

A

S

I

I

E

Q

K

K

G

K

A

G

E

E

I

V

A

S

-

G

P

P

S

T

G

A

N

W

D

D

G

G

L

Y

A

I

A

A

L

A

A

V

L

T

A

T

D

D

A

A

A

C

V

V

R

K

S

A

active site: K97 (= K93), H176 (= H174)
binding 1,4-dihydronicotinamide adenine dinucleotide: I8 (≠ L8), G9 (= G9), G11 (= G11), A12 (≠ R12), I13 (= I13), T34 (≠ A33), D35 (= D34), V36 (≠ A35), S74 (≠ T70), W75 (≠ P71), G76 (≠ T72), A78 (≠ T74), H79 (= H75), E96 (= E92), K97 (= K93), P98 (= P94), M126 (≠ N121), H176 (= H174), W272 (≠ F275), Y280 (= Y283)

3nt2A Crystal structure of myo-inositol dehydrogenase from bacillus subtilis with bound cofactor (see paper)
28% identity, 97% coverage: 1:320/330 of query aligns to 1:318/337 of 3nt2A

query
sites
3nt2A

M

M

T

S

V

L

R

R

F

I

G

G

L

V

L
x
I

G
|
G

A
x
T

G
|
G

R
x
A

I
|
I

G

G

K

K

V

E

H

H

A

I

K

N

A

R

V

I

S

T

G

N

N

K

-

L

A

S

D

G

A

A

R

E

L

I

V

V

A

A

V

V

A
x
T

D
|
D

A
x
V

F
x
N

P

Q

A

E

A

A

E

Q

A

K

I

V

A

V

G

E

A

Q

Y

Y

G

Q

C

L

E

N

V

A

R

T

T

V

I

Y

-

P

-

N

-

D

D

D

A

S

I

L

E

L

A

A

A

D

A

E

D

N

I

V

D

D

A

A

V

V

V

L

I

V

C
x
T

T
x
S

P
x
W

T
x
G

D

P

T
x
A

H
|
H

A

E

D

S

L

S

I

V

E

L

R

K

F

A

A

I

R

K

A

A

G

Q

K

K

A

Y

I

V

F

F

C

C

E
|
E

K
|
K

P
|
P

I

L

D

A

L

T

D

T

A

A

E

E

R

-

V

-

R

-

A

G

C

C

L

M

K

R

V

I

V

V

S

E

D

E

T

E

-

I

-

K

-

V

-

G

K

K

A

R

K

L

L

V

M

Q

V

V

G

G

F

F

N
x
M

R

R

F

Y

D

D

P

S

H

G

F

Y

M

V

A

Q

V

L

R

K

K

E

A

A

I

L

D

D

D

N

G

H

R

V

I

I

G

G

E

E

V

P

E

L

M

M

V

I

T

H

I

C

T

A

S

H

R

R

D

N

P

P

S

T

A

V

P

G

P

D

V

-

D

N

Y

Y

I

T

K

T

R

D

S

M

G

A

G

V

I

V

F

-

R

-

D

D

M

T

T

L

I

V

H
|
H

D

E

F

I

D

D

M

V

A

L

R

H

F

W

L

L

L

V

G

N

E

D

P

Y

V

E

S

S

V

V

T

-

A

-

T

-

A

-

A

Q

V

V

L

I

I

Y

D

P

K

K

A

K

I

S

G

K

D

N

A

A

G

L

D

P

Y

H

-

L

-

K

D

D

S

P

V

Q

S

I

V

V

I

V

L

I

Q

E

T

T

A

K

S

G

G

G

K

-

Q

-

A

-

I

I

I

V

S

I

N

N

S

A

R

E

-

I

-

Y

-

V

R

N

A

C

T

K

Y

Y

G

G

Y

Y

D

D

Q

I

R

Q

I

C

E

E

V

I

H

V

G

G

S

E

K

D

G

G

A

I

V

I

A

K

A

L

E

P

N

-

Q

-

R

E

P

P

V

S

S

S

I

I

E

S

I

L

A

R

T

K

G

E

D

G

G

R

Y

F

T

S

R

T

P

D

P

I

L

L

H

M

D

D

F

-

F
x
W

M

Q

T

R

R

R

Y

F

T

V

E

A

A

A

Y
|
Y

A

D

N

V

E

E

I

I

E

Q

S

D

F

F

I

I

A

D

A

S

I

I

E

Q

K

K

G

K

A

G

E

E

I

V

A

S

-

G

P

P

S

T

G

A

N

W

D

D

G

G

L

Y

A

I

A

A

L

A

A

V

L

T

A

T

D

D

A

A

A

C

V

V

R

K

S

A

active site: K97 (= K93), H176 (= H174)
binding nicotinamide-adenine-dinucleotide: I8 (≠ L8), G9 (= G9), T10 (≠ A10), G11 (= G11), A12 (≠ R12), I13 (= I13), T34 (≠ A33), D35 (= D34), V36 (≠ A35), N37 (≠ F36), T73 (≠ C69), S74 (≠ T70), W75 (≠ P71), G76 (≠ T72), A78 (≠ T74), H79 (= H75), E96 (= E92), K97 (= K93), P98 (= P94), M126 (≠ N121), H176 (= H174), W272 (≠ F275), Y280 (= Y283)

4l8vA Crystal structure of a12k/d35s mutant myo-inositol dehydrogenase from bacillus subtilis with bound cofactor NADP (see paper)
28% identity, 97% coverage: 1:320/330 of query aligns to 1:318/337 of 4l8vA

query
sites
4l8vA

M

M

T

S

V

L

R

R

F

I

G

G

L

V

L

I

G

G

A

T

G
|
G

R
x
K

I
|
I

G

G

K

K

V

E

H

H

A

I

K

N

A

R

V

I

S

T

G

N

N

K

-

L

A

S

D

G

A

A

R

E

L

I

V

V

A

A

V

V

A

T

D

S

A

V

F

N

P

Q

A

E

A

A

E

Q

A

K

I

V

A

V

G

E

A

Q

Y

Y

G

Q

C

L

E

N

V

A

R

T

T

V

I

Y

-

P

-

N

-

D

D

D

A

S

I

L

E

L

A

A

A

D

A

E

D

N

I

V

D

D

A

A

V

V

V

L

I

V

C
x
T

T
x
S

P
x
W

T
x
G

D

P

T

A

H
|
H

A

E

D

S

L

S

I

V

E

L

R

K

F

A

A

I

R

K

A

A

G

Q

K

K

A

Y

I

V

F

F

C

C

E
|
E

K
|
K

P
|
P

I

L

D

A

L

T

D

T

A

A

E

E

R

-

V

-

R

-

A

G

C

C

L

M

K

R

V

I

V

V

S

E

D

E

T

E

-

I

-

K

-

V

-

G

K

K

A

R

K

L

L

V

M

Q

V

V

G

G

F

F

N
x
M

R

R

F

Y

D

D

P

S

H

G

F

Y

M

V

A

Q

V

L

R

K

K

E

A

A

I

L

D

D

D

N

G

H

R

V

I

I

G

G

E

E

V

P

E

L

M

M

V

I

T

H

I

C

T

A

S

H

R

R

D

N

P

P

S

T

A

V

P

G

P

D

V

-

D

N

Y

Y

I

T

K

T

R

D

S

M

G

A

G

V

I

V

F

-

R

-

D

D

M

T

T

L

I

V

H
|
H

D

E

F

I

D

D

M

V

A

L

R

H

F

W

L

L

L

V

G

N

E

D

P

Y

V

E

S

S

V

V

T

-

A

-

T

-

A

-

A

Q

V

V

L

I

I

Y

D

P

K

K

A

K

I

S

G

K

D

N

A

A

G

L

D

P

Y

H

-

L

-

K

D

D

S

P

V

Q

S

I

V

V

I

V

L

I

Q

E

T

T

A

K

S

G

G

G

K

-

Q

-

A

-

I

I

I

V

S

I

N

N

S

A

R

E

-

I

-

Y

-

V

R

N

A

C

T

K

Y

Y

G

G

Y

Y

D

D

Q

I

R

Q

I

C

E

E

V

I

H

V

G

G

S

E

K

D

G

G

A

I

V

I

A

K

A

L

E

P

N

-

Q

-

R

E

P

P

V

S

S

S

I

I

E

S

I

L

A

R

T

K

G

E

D

G

G

R

Y

F

T

S

R

T

P

D

P

I

L

L

H

M

D

D

F

-

F
x
W

M

Q

T

R

R

R

Y

F

T

V

E

A

A

A

Y
|
Y

A

D

N

V

E

E

I

I

E

Q

S

D

F

F

I

I

A

D

A

S

I

I

E

Q

K

K

G

K

A

G

E

E

I

V

A

S

-

G

P

P

S

T

G

A

N

W

D

D

G

G

L

Y

A

I

A

A

L

A

A

V

L

T

A

T

D

D

A

A

A

C

V

V

R

K

S

A

active site: K97 (= K93), H176 (= H174)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G11), K12 (≠ R12), I13 (= I13), T73 (≠ C69), S74 (≠ T70), W75 (≠ P71), G76 (≠ T72), H79 (= H75), E96 (= E92), K97 (= K93), P98 (= P94), M126 (≠ N121), H176 (= H174), W272 (≠ F275), Y280 (= Y283)

3ec7A Crystal structure of putative dehydrogenase from salmonella typhimurium lt2
29% identity, 97% coverage: 1:320/330 of query aligns to 1:317/336 of 3ec7A

query
sites
3ec7A

M

M

T

T

V

L

R

K

F

A

G

G

L

I

L
x
V

G
|
G

A

I

G
|
G

R
x
M

I
|
I

G

G

K

S

V

D

H

H

-

L

-

R

-

L

A

A

K

N

A

T

V

V

S

S

G

G

N

-

A

-

D

-

A

V

R

E

L

V

V

V

A

A

V

V

A
x
C

D
|
D

A
x
I

F
x
V

P

A

A

G

A
x
R

A

A

E

Q

A

A

I

A

A

L

G

D

A

K

Y

Y

G

A

C

I

E

E

V

A

R

K

T

D

I

Y

D

N

A

D

I
x
Y

E

H

A

D

A

L

-

I

-

N

-

D

A

K

D

D

I

V

D

E

A

V

V

V

V

I

I

I

C
x
T

T
x
A

P
x
S

T
x
N

D

E

T
x
A

H
|
H

A

A

D

D

L

V

I

A

E

V

R

A

F

A

A

L

R

N

A

A

G

N

K

K

A

Y

I

V

F

F

C

C

E
|
E

K
|
K

P

P

I

L

D

A

L

V

D

T

A

A

E

A

R

D

V

-

R

-

A

-

C

C

L

Q

K

R

V

V

V

I

-

E

-

A

-

E

-

Q

S

K

D

N

T

G

K

K

A

R

K

M

L

V

M

Q

V

I

G

G

F

F

N
x
M

R

R

F

Y

D

D

P

K

H

G

F

Y

M

V

A

Q

V

L

R

K

K

N

A

I

I

I

D

D

D

S

G

G

R

E

I

I

G

G

E

Q

V

P

E

L

M

M

V

V

T

-

I

-

T

H

S

G

R

R

D

H

P

Y

S

N

A

A

P

S

P

T

V

V

D

P

Y

E

I

Y

K

K

R

T

S

P

G

Q

G

A

I

I

F

Y

R

E

D

T

M

L

T

-

I

I

H
|
H

D

E

F

I

D

D

M

V

A

M

R

H

F

W

L

L

G

N

E

E

E

D

P

Y

V

K

S

T

V

V

-

K

-

V

-

Y

-

F

-

P

-

R

-

Q

T

S

A

S

T

L

A

V

A

T

V

T

L

L

I

R

D

D

K

P

A

Q

I

L

G

-

D

-

A

-

G

-

D

-

Y

-

D

-

S

-

V

-

S

-

V

V

I

V

L

M

Q

E

T

T

A

T

S

S

G

G

K

I

Q

N

A

I

I

V

S

E

N

V

S

F

R

V

R

N

A

C

T

Q

Y

Y

G

G

Y

Y

D

D

Q

I

R

H

I

C

E

D

V

V

H

T

G

G

S

E

K

K

G

G

A

-

V

-

A

M

A

A

E

E

N

L

Q

P

R

T

P

V

V

A

S

S

I

A

E

A

I

V

A

R

T

K

G

A

D

A

G

K

Y

Y

T

S

R

T

P

D

P

I

L

L

H

V

D

D

F

-

F
x
W

M

K

T

Q

R

R

Y

F

T

I

E

D

A

A

Y
|
Y

A

D

N

I

E

E

I

F

E

Q

S

D

F

F

I

F

A

D

A

R

I

L

E

N

K

A

G

G

A

L

E

P

I

P

A

A

-

G

P

P

S

T

G

S

N

W

D

D

G

G

L

Y

A

L

A

A

L

A

A

V

L

T

A

A

D

D

A

A

A

C

V

V

R

K

S

S

active site: K97 (= K93), H176 (= H174)
binding nicotinamide-adenine-dinucleotide: V8 (≠ L8), G9 (= G9), G11 (= G11), M12 (≠ R12), I13 (= I13), C34 (≠ A33), D35 (= D34), I36 (≠ A35), V37 (≠ F36), R40 (≠ A39), Y58 (≠ I57), T73 (≠ C69), A74 (≠ T70), S75 (≠ P71), N76 (≠ T72), A78 (≠ T74), H79 (= H75), E96 (= E92), K97 (= K93), M126 (≠ N121), W271 (≠ F275), Y279 (= Y283)

4koaA Crystal structure analysis of 1,5-anhydro-d-fructose reductase from sinorhizobium meliloti (see paper)
28% identity, 99% coverage: 3:329/330 of query aligns to 2:329/333 of 4koaA

query
sites
4koaA

V

I

R

R

F

W

G

G

L

L

L

I

G
|
G

A
|
A

G
x
S

R
x
T

I
|
I

G

A

K

R

V

E

H

W

A

V

K

I

A

G

V

A

S

I

G

R

N

A

A

A

D

G

A

G

R

E

L

V

V

V

A

S

V

V

A

M

D
x
S

A
x
S

F

S

P

A

A

E

A
x
R

A

G

E

E

A

A

I

Y

A

A

G

A

A

E

Y

N

G

G

C

I

E

A

-

K

-

A

V

V

R

T

T

S

I

V

D

D

A

D

I

L

E

V

A

G

A

D

A

P

D

D

I

V

D

D

A

A

V

V

V

Y

I

I

C
x
S

T
|
T

P

T

T
x
N

D

E

T

L

H
|
H

A

H

D

G

L

Q

I

A

E

L

R

A

F

A

A

I

R

R

A

A

G

G

K

K

A

H

I

V

F

L

C

C

E
|
E

K
|
K

P

P

I

L

D

A

L

M

D

N

A

L

E

N

R

-

V

-

R

D

A

G

C

C

L

E

K

M

V

V

V

L

S

K

D

A

T

C

K

E

A

A

K

G

L

V

M

V

V

L

G

G

F

T

N

N

R

H

-

H

-

L

R

R

F

N

D

A

P

A

H

T

F

H

M

R

A

A

V

M

R

R

K

E

A

A

I

I

D

A

G

G

R

R

I

I

G

G

E

R

V

-

E

-

M

-

V

-

T

P

I

I

T

A

S

A

R

R

D

V

P

F

S

H

A

A

-

V

-

Y

-

L

P

P

-

H

-

L

-
x
Q

-

G

-

W

-

R

V

L

D

D

Y
x
K

I

P

K

E

R

A

S

G

G

G

I

V

F

I

R

L

D

D

M

I

T

T

I

V

H
|
H

D

D

F

A

D

D

M

T

A

L

R

R

F

F

L

V

L

L

G

N

E

D

P

P

V

I

S

E

V

A

T

V

A

A

T

I

A

S

A

H

V

-

L

-

I

-

D

S

K

A

A

G

I

M

G

G

D

K

A

E

G

G

D

L

Y

E

D

D

S

G

V

V

S

M

V

G

I

V

L

L

Q

R

T

F

A

R

S

S

G

G

K

V

Q

I

A

A

I

Q

I

F

S

H

N

D

S

A

R

F

R

T

A

T

T

K

Y

F

G

A

Y

-

D

E

Q

T

R

G

I

L

E

E

V

V

H

H

G

G

S

T

K

A

G

G

A

S

V

L

A

I

A

G

E

R

N

N

-

V

-

M

-

T

Q

Q

R

R

P

P

V

V

-

G

S

T

I

V

E

V

I

L

A

R

T

N

G

E

D

E

G

G

Y

E

T

S

R

E

P

L

P

P

L

L

H

-

D

-

F

-

M

-

T

-

R

D

Y

H

T

R

E

N

A

L

Y

Y

A

E

N

T

E

A

I

I

E

A

S

A

F

F

I

H

A

S

A

A

I

I

E

G

K

G

G

N

A

G

E

R

I

P

A

S

P

A

S

S

G

G

N

E

D

D

G

G

L

V

A

W

A

S

L

L

A

A

L

T

A

G

D

L

A

A

A

V

V

V

R

K

S

A

V

A

A

A

E

T

K

G

R

G

Q

A

I

V

S

E

I

I

active site: K94 (= K93), H180 (= H174)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), A9 (= A10), S10 (≠ G11), T11 (≠ R12), I12 (= I13), S33 (≠ D34), S34 (≠ A35), R38 (≠ A39), S70 (≠ C69), T71 (= T70), N73 (≠ T72), H76 (= H75), E93 (= E92), K94 (= K93), Q160 (vs. gap), K166 (≠ Y160)

6a3iA Levoglucosan dehydrogenase, complex with nadh and levoglucosan (see paper)
28% identity, 99% coverage: 2:329/330 of query aligns to 2:369/372 of 6a3iA

query
sites
6a3iA

T

N

V

L

R

N

F

V

G

G

L

L

L

I

G
|
G

A

G

G
|
G

R
x
F

I
x
M

G

G

K

K

V

A

H

H

A

S

K

L

A

A

V

Y

S

A

-

A

-

M

-

P

-

M

-

F

G

W

N

P

A

A

D

P

A

A

R

L

L

P

V

V

-

R

-

K

A

V

V

I

A
|
A

D
x
E

A
|
A

F

N

P

P

A

E

A

L

A

A

E

A

A

E

I

A

A

A

G

R

A

R

Y

F

G

G

C

F

E

E

V

N

R

S

T

T

I

S

D

D

-
x
W

-

R

A

S

I

I

E

I

A

D

A

P

D

D

I

I

D

H

A

V

V

V

V

D

I

I

C
x
A

T
|
T

P
|
P

T
x
N

D

H

T
x
L

H
|
H

A

A

D

E

L

I

I

A

E

I

R

A

F

A

A

A

R

E

A

A

G

G

K

K

A

H

I

I

F

I

C

C

E
|
E

K
|
K

P
|
P

I

L

D

A

L

R

D

T

A

G

E

E

R

E

V

S

R

K

A

A

C

M

L

Y

K

D

V

A

V

V

S

K

D

D

T

K

K

N

A

I

K

V

L

H

M

M

V

V

G

A

F

F

N

N

R
x
Y

R

R

F

R

D

T

P

P

H

A

F

V

M

A

A

L

V

A

R

K

K

K

A

Y

I

I

D

E

G

G

R

A

I

I

G

G

E

R

V

I

-

L

-

S

-

F

-

R

-

G

E

T

M
x
Y

V

L

T
x
Q

I

D

T

W

S

S

R

A

D

D

P

P

S

N

A

S

P

P

P

L

V

S

D
x
W

Y
x
R

I

F

K

Q

R

K

S

S

-

I

-

A

-

G

G

S

G

G

I

A

F

L

R

G

D
|
D

M
x
I

T

A

I

T

H
|
H

D

V

F

I

D

D

M

M

A

A

R

R

F

Y

L

L

L

V

G

G

E

E

E

F

P

S

V

A

S

V

V

N

T

A

A

V

T

L

A

S

A

T

V

W

L

I

I

P

D

E

K

R

A

P

I

L

G

Q

D

S

A

K

G

G

D

P

Y

V

-

D

-

V

-

D

D

D

S

E

V

V

S

M

V

T

I

M

L

I

Q

R

T

F

A

A

S

N

G

G

K

A

Q

V

A

G

I

S

I

V

S

E

N

A

S

T

R

R

R

N

A

A

T

-

Y

H

G

G

Y

R

D

N

Q
x
N

R

Y

I

I

-

T

-

F

E

E

V

I

H

H

G

G

S

T

K

E

G

G

A

S

V

I

A

V

A

F

E

N

N

Y

Q

E

R

R

P

R

V

D

S

E

I

L

E

Q

I

V

A

A

T

F

G

A

D

S

G

D

-

Q

-

A

-

D

-

R

-

G

-

F

-

R

-

T

-

V

Y

Y

T

T

R

G

P

-

P

P

L

A

H

H

D

P

F

Y

-

G

-

E

-

G

-

L

-

W

-

P

-

I

-

P

-

A

F

L

M

G

T

I

R

G

Y

Y

T

G

E

E

A

T

Y

K

A

I

N

I

E

E

I

A

E

H

S

D

F

F

I

F

A

K

A

A

I

I

E

A

K

E

G

G

A

G

E

S

I

V

A

S

P

P

S

S

G

F

N

A

D

D

G

G

L

Y

A

Q

A

V

L

A

A

L

L

I

A

D

D

D

A

A

A

I

V

V

R

E

S

S

V

A

A

A

E

K

K

E

R

S

Q

W

I

V

S

D

I

V

binding Levoglucosan: K103 (= K93), Y132 (≠ R122), Y160 (≠ M145), Q162 (≠ T147), R175 (≠ Y160), D188 (= D170), I189 (≠ M171), H192 (= H174), N257 (≠ Q237)
binding 1,4-dihydronicotinamide adenine dinucleotide: G9 (= G9), G11 (= G11), F12 (≠ R12), M13 (≠ I13), A41 (= A33), E42 (≠ D34), A43 (= A35), W64 (vs. gap), A79 (≠ C69), T80 (= T70), P81 (= P71), N82 (≠ T72), L84 (≠ T74), H85 (= H75), E102 (= E92), K103 (= K93), P104 (= P94), W174 (≠ D159), R175 (≠ Y160)

5a06A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with sorbitol (see paper)
26% identity, 92% coverage: 27:329/330 of query aligns to 29:336/336 of 5a06A

query
sites
5a06A

A

S

R

R

L

L

V

A

A

A

V

L

A

V

D
x
S

A
x
G

F
x
T

P

P

A

E

A
x
K

A

L

E

K

A

T

I

Y

A

G

G

E

A

Q

Y

Y

G

G

C

I

-

P

-

E

-

T

-

H

-

R

-

Y

E

S

V
x
Y

R

E

T

T

I

F

D

D

A

R

I

I

E

I

A

D

A

N

A

P

D

D

I
x
V

D
|
D

A

I

V

V

V

Y

I

V

C
x
I

T
|
T

P
|
P

T
x
N

D

S

T
x
L

H
|
H

A

R

D

P

L

F

I

T

E

E

R

R

F

A

A

A

R

R

A

A

G
|
G

K
|
K

A
x
H

I

V

F

M

C

C

E
|
E

K
|
K

P

P

I

M

D

A

L

N

D

T

A

V

E

A

R

D

V

C

R

E

A

A

C

M

L
x
I

K

A

V

A

V
x
C

S
x
K

D

K

T

A

K
x
G

A
x
R

K
|
K

L
|
L

M

M

V

I

G

G

F

Y

N
x
R

R

S

R

R

F

F

D

Q

P

A

H

H

F

N

M

I

A

E

V

A

R

I

K

K

A

L

I

V

D

R

D

D

G

G

R

A

I

L

G

G

E

P

V

V

E

R

M

T

V

V

T

V

-

T

-

D

-

H

-

G

I
x
F

T

T

S

I

R

G

D

D

P

P

S

K

A

Q

P
x
W

P
x
R

V

L

D

N

Y

R

I

A

K
x
L

R

A

S

G

G

G

I

S

F

L

R

M

D
|
D

M

I

T

G

I

I

H
x
Y

D

S

F

L

D

N

M

A

A

A

R

R

F

Y

L

L

L

T

G

G

E

E

P

P

V

V

S

A

V

V

T

N

A

A

T

V

A

E

A

S

V

T

-

D

L

R

I

S

D

D

K

P

A

R

I

F

G

G

D

E

A

V

G

E

D

D

Y

I

D

I

S

N

V

F

S

Q

V

L

I

L

L

F

Q

P

T

S

A

G

S

A

G

T

K

A

Q

N

A

C

I

V

I

S

S

A

N

Y

S

S

R

V

R

N

A

C

T

N

Y

-

G

-

Y

-

D

-

Q

-

R

R

I

Y

E

R

V

V

H

S

G

G

S

P

K

K

G

G

A

W

V

V

-

E

-

I

-

D

A

P

A

A

E

T

N

S

Q
x
Y

R

Q

P

G

V

Q

S

A

I

M

E

R

I

A

A

Q

T

L

G

G

D

G

G

-

Y

-

T

-

R

-

P

P

L

A

H

P

D

R

F

E

F

P

M

A

T

P

R

Q

Y

P

T
x
K

E

N

A

Q

Y

F

A

S

N
x
A

E

Q

I

L

E

D

S
x
H

F

L

I

S

A
x
E

A

C

I
|
I

E

L

K

T

G

G

A

R

E
|
E

I

P

A

I

P

V

S
x
G

G
|
G

N

D

D

D

G

G

L

L

A

K

A

D

L

L

A

R

L

V

A

I

D

E

A

A

A

I

V

Y

R

R

S

A

V

A

A

R

E

E

K

G

R

R

Q

T

I

V

S

K

I

L

active site: K101 (= K93), Y186 (≠ H174)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: S36 (≠ D34), G37 (≠ A35), T38 (≠ F36), K41 (≠ A39), Y59 (≠ V51), I77 (≠ C69), T78 (= T70), P79 (= P71), N80 (≠ T72), L82 (≠ T74), H83 (= H75), E100 (= E92), K101 (= K93), R129 (≠ N121), W168 (≠ P156), R169 (≠ P157), L174 (≠ K162), Y186 (≠ H174), Y264 (≠ Q253)
binding sorbitol: V71 (≠ I63), D72 (= D64), G94 (= G86), K95 (= K87), H96 (≠ A88), K101 (= K93), I114 (≠ L106), C117 (≠ V109), K118 (≠ S110), G121 (≠ K113), R122 (≠ A114), R122 (≠ A114), K123 (= K115), L124 (= L116), R129 (≠ N121), F160 (≠ I148), R169 (≠ P157), D182 (= D170), Y186 (≠ H174), Y264 (≠ Q253), K287 (≠ T280), A292 (≠ N285), H296 (≠ S289), E299 (≠ A292), I301 (= I294), E306 (= E299), G310 (≠ S303), G311 (= G304)

Sites not aligning to the query:

5a05A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with maltotriose (see paper)
26% identity, 92% coverage: 27:329/330 of query aligns to 28:335/335 of 5a05A

query
sites
5a05A

A

S

R

R

L

L

V

A

A

A

V

L

A

V

D
x
S

A
x
G

F
x
T

P

P

A

E

A
x
K

A

L

E

K

A

T

I

Y

A

G

G

E

A

Q

Y

Y

G

G

C

I

-

P

-

E

-

T

-

H

-

R

-

Y

E

S

V
x
Y

R

E

T

T

I

F

D

D

A

R

I

I

E

I

A

D

A

N

A

P

D

D

I

V

D

D

A

I

V

V

V

Y

I

V

C
x
I

T
|
T

P
|
P

T
x
N

D

S

T
x
L

H
|
H

A

R

D

P

L

F

I

T

E

E

R

R

F

A

A

A

R

R

A

A

G

G

K

K

A

H

I

V

F

M

C

C

E
|
E

K
|
K

P

P

I

M

D

A

L

N

D

T

A

V

E

A

R

D

V

C

R

E

A

A

C

M

L

I

K

A

V

A

V

C

S

K

D

K

T

A

K

G

A

R

K

K

L

L

M

M

V

I

G

G

F

Y

N
x
R

R

S

R

R

F

F

D

Q

P

A

H

H

F

N

M

I

A

E

V

A

R

I

K

K

A

L

I

V

D

R

D

D

G

G

R

A

I

L

G

G

E

P

V

V

E

R

M

T

V

V

T

V

-

T

-

D

-

H

-

G

I
x
F

T

T

S

I

R

G

D

D

P

P

S

K

A

Q

P
x
W

P
x
R

V

L

D

N

Y

R

I

A

K
x
L

R

A

S

G

G

G

I

S

F

L

R

M

D
|
D

M

I

T

G

I

I

H
x
Y

D

S

F

L

D

N

M

A

A

A

R

R

F

Y

L

L

L

T

G

G

E

E

P

P

V

V

S

A

V

V

T

N

A

A

T

V

A

E

A

S

V

T

-

D

L

R

I

S

D

D

K

P

A

R

I

F

G

G

D

E

A

V

G

E

D

D

Y

I

D

I

S

N

V

F

S

Q

V

L

I

L

L

F

Q

P

T

S

A

G

S

A

G

T

K

A

Q

N

A

C

I

V

I

S

S

A

N

Y

S

S

R

V

R

N

A

C

T
x
N

Y

-

G

-

Y

-

D

-

Q

-

R

R

I

Y

E

R

V

V

H

S

G

G

S

P

K

K

G

G

A

W

V

V

-

E

-

I

-

D

A
x
P

A

A

E

T

N
x
S

Q
x
Y

R

Q

P

G

V

Q

S

A

I

M

E

R

I

A

A

Q

T

L

G

G

D

G

G

-

Y

-

T

-

R

-

P

P

L

A

H

P

D

R

F

E

F

P

M

A

T

P

R

Q

Y

P

T

K

E

N

A

Q

Y

F

A

S

N

A

E

Q

I

L

E

D

S

H

F

L

I

S

A

E

A

C

I

I

E

L

K

T

G

G

A

R

E

E

I

P

A

I

P

V

S

G

G

G

N

D

D

D

G

G

L

L

A

K

A

D

L

L

A

R

L

V

A

I

D

E

A

A

A

I

V

Y

R

R

S

A

V

A

A

R

E

E

K

G

R

R

Q

T

I

V

S

K

I

L

active site: K100 (= K93), Y185 (≠ H174)
binding beta-D-glucopyranose: K100 (= K93), R128 (≠ N121), F159 (≠ I148), R168 (≠ P157), D181 (= D170), Y185 (≠ H174), Y263 (≠ Q253)
binding alpha-D-glucopyranose: F159 (≠ I148), N244 (≠ T232), N244 (≠ T232), P259 (≠ A249), S262 (≠ N252)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: S35 (≠ D34), G36 (≠ A35), T37 (≠ F36), K40 (≠ A39), Y58 (≠ V51), I76 (≠ C69), T77 (= T70), P78 (= P71), N79 (≠ T72), L81 (≠ T74), H82 (= H75), E99 (= E92), K100 (= K93), R128 (≠ N121), W167 (≠ P156), R168 (≠ P157), L173 (≠ K162), Y185 (≠ H174), Y263 (≠ Q253)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 9, 10, 11, 12, 13

5a04A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glucose (see paper)
26% identity, 92% coverage: 27:329/330 of query aligns to 28:335/335 of 5a04A

query
sites
5a04A

A

S

R

R

L

L

V

A

A

A

V

L

A

V

D
x
S

A
x
G

F
x
T

P

P

A

E

A
x
K

A

L

E

K

A

T

I

Y

A

G

G

E

A

Q

Y

Y

G

G

C

I

-

P

-

E

-

T

-

H

-

R

-

Y

E

S

V
x
Y

R

E

T

T

I

F

D

D

A

R

I

I

E

I

A

D

A

N

A

P

D

D

I

V

D

D

A

I

V

V

V

Y

I

V

C
x
I

T
|
T

P
|
P

T
x
N

D

S

T
x
L

H
|
H

A

R

D

P

L

F

I

T

E

E

R

R

F

A

A

A

R

R

A

A

G

G

K

K

A

H

I

V

F

M

C

C

E
|
E