SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_017549801.1 NCBI__GCF_000330705.1:WP_017549801.1 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)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
60% identity, 100% coverage: 1:258/258 of query aligns to 3:260/260 of 6zzqA

query
sites
6zzqA

M

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active site: G17 (= G15), S142 (= S140), Y155 (= Y153)
binding acetoacetic acid: Q94 (= Q92), S142 (= S140), K152 (= K150), Y155 (= Y153), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G13 (= G11), S16 (= S14), G17 (= G15), I18 (≠ L16), D37 (= D35), M38 (≠ I36), D63 (= D61), V64 (= V62), N90 (= N88), A91 (= A89), G92 (= G90), M140 (= M138), A141 (= A139), S142 (= S140), Y155 (= Y153), K159 (= K157), Y187 (= Y185), V188 (= V186), T190 (= T188)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
60% identity, 100% coverage: 1:258/258 of query aligns to 4:261/261 of 6zzsD

query
sites
6zzsD

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active site: G18 (= G15), S143 (= S140), Y156 (= Y153)
binding nicotinamide-adenine-dinucleotide: G14 (= G11), S17 (= S14), I19 (≠ L16), D38 (= D35), M39 (≠ I36), D64 (= D61), V65 (= V62), N91 (= N88), A92 (= A89), G93 (= G90), M141 (= M138), A142 (= A139), S143 (= S140), Y156 (= Y153), K160 (= K157), P186 (= P183), G187 (= G184), V189 (= V186), T191 (= T188), L193 (= L190)
binding 3-oxidanylidenepentanoic acid: Q95 (= Q92), S143 (= S140), N145 (= N142), K153 (= K150), Y156 (= Y153), Q197 (= Q194)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
41% identity, 100% coverage: 1:258/258 of query aligns to 1:260/260 of 2ztlA

query
sites
2ztlA

M

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active site: G15 (= G15), N114 (≠ M112), S142 (= S140), Y155 (= Y153), K159 (= K157), L200 (= L198)
binding (3s)-3-hydroxybutanoic acid: Q94 (= Q92), S142 (= S140), H144 (≠ N142), K152 (= K150), Y155 (= Y153), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), G15 (= G15), I16 (≠ L16), F36 (≠ I36), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ I111), Y155 (= Y153), K159 (= K157), P185 (= P183), W187 (≠ Y185), V188 (= V186), T190 (= T188), V193 (= V191)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
41% identity, 100% coverage: 1:258/258 of query aligns to 1:260/260 of 1wmbA

query
sites
1wmbA

M

M

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active site: G15 (= G15), N114 (≠ M112), S142 (= S140), Y155 (= Y153), K159 (= K157), L200 (= L198)
binding cacodylate ion: S142 (= S140), Y155 (= Y153), W257 (≠ Y255)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
40% identity, 100% coverage: 1:258/258 of query aligns to 1:260/260 of 5b4tA

query
sites
5b4tA

M

M

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K

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R

G

I

L

D

D

V

I

L

L

F

V

N

N

N
|
N

A

A

G
|
G

L

I

Q
|
Q

H

H

V

T

S

A

D

P

I

I

E

E

E

E

F

F

P

P

T

V

D

D

K

K

F

W

R

N

Q

A

M

I

I

I

D

A

I
x
L

M
x
N

L

L

V

S

A

A

P

V

F

F

I

H

G

G

T

T

K

A

H

A

V

A

M

L

P

P

I

I

M

M

K

Q

E

K

Q

Q

G

G

S

W

G

G

T

R

I

I

L

I

N

N

M
x
I

A

A

S
|
S

I

A

N
x
H

G

G

V

L

I

V

G

A

F

S

A

V

G

N

K
|
K

A

S

A

A

Y
|
Y

N

V

S

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

A

T

A

A

L

L

E

E

A

N

A

A

E

G

H

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

D

R

T
|
T

P

P

L
|
L

V
|
V

R

E

G

K

Q
|
Q

M

I

E

E

D

A

L
x
I

A

S

Q

Q

S

Q

R

K

G

G

V

I

A

D

A

I

D

E

K

A

V

A

I

A

E

R

E

E

V

L

L

L

F

A

P

E

L

K

I

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

E

T

I

P

G

E

E

Q

I

L

A

G

D

G

Y

A

A

A

M

V

F

F

L

L

T

S

S

S

D

A

S

A

A

A

K

D

G

Q

V

M

T

T

G

G

Q

T

A

T

V

L

L

S

I

L

D

D

G

G

G

G

Y

W

T

T

V

A

Q

R

active site: G15 (= G15), N114 (≠ M112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (≠ L198)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q92), S142 (= S140), H144 (≠ N142), K152 (= K150), Y155 (= Y153), W187 (≠ Y185), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (≠ A13), G15 (= G15), I16 (≠ L16), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), G92 (= G90), L113 (≠ I111), I140 (≠ M138), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (≠ Y185), V188 (= V186), T190 (= T188), L192 (= L190), V193 (= V191)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
40% identity, 100% coverage: 1:258/258 of query aligns to 1:260/260 of 3w8dA

query
sites
3w8dA

M

M

V

L

K

K

D

G

K

K

V

K

T

A

I

V

I

V

T

T

G
|
G

A

S

A
x
T

S
|
S

G
|
G

L
x
I

G

G

L

L

E

A

I

M

S

A

K

T

V

E

F

L

L

A

K

K

N

A

G

G

A

A

K

D

V

V

V

V

L

I

S

N

-

G

-
x
F

-

G

-

Q

-

P

-

E

D

D

I

I

N

E

Q

R

E

E

K

R

L

-

D

S

E

T

I

L

V

E

E

S

D

K

L

F

K

G

A

V

K

K

A

A

Y

Y

D

Y

C

-

L

-

G

-

I

L

R

N

A
|
A

D
|
D

V
x
L

T

S

S

D

E

A

D

Q

D

A

I

T

E

R

N

D

L

F

I

I

D

A

R

K

T

A

K

A

E

E

E

A

Y

L

G

G

R

G

I

L

D

D

V

I

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

L

I

Q
|
Q

H

H

V

T

S

A

D

P

I

I

E

E

E

E

F

F

P

P

T

V

D

D

K

K

F

W

R

N

Q

A

M

I

I

I

D

A

I
x
L

M
x
N

L

L

V

S

A

A

P

V

F

F

I

H

G

G

T

T

K

A

H

A

V

A

M

L

P

P

I

I

M

M

K

Q

E

K

Q

Q

G

G

S

W

G

G

T

R

I

I

L

I

N

N

M

I

A

A

S
|
S

I

A

N
x
H

G

G

V

L

I

V

G

A

F

S

A

V

G

N

K
|
K

A

S

A

A

Y
|
Y

N

V

S

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

A

T

A

A

L

L

E

E

A

N

A

A

E

G

H

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

D

R

T
|
T

P

P

L
|
L

V
|
V

R

E

G

K

Q
|
Q

M

I

E

E

D

A

L
x
I

A

S

Q

Q

S

Q

R

K

G

G

V

I

A

D

A

I

D

E

K

A

V

A

I

A

E

R

E

E

V

L

L

L

F

A

P

E

L

K

I

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

E

T

I

P

G

E

E

Q

I

L

A

G

D

G

Y

A

A

A

M

V

F

F

L

L

T

S

S

S

D

A

S

A

A

A

K

D

G

Q

V

M

T

T

G

G

Q

T

A

T

V

L

L

S

I

L

D

D

G

G

G

G

Y
x
W

T

T

V

A

Q

R

active site: G15 (= G15), N114 (≠ M112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (≠ L198)
binding methylmalonic acid: Q94 (= Q92), S142 (= S140), H144 (≠ N142), K152 (= K150), Y155 (= Y153), W187 (≠ Y185), Q196 (= Q194), W257 (≠ Y255)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (≠ A13), S14 (= S14), G15 (= G15), I16 (≠ L16), F36 (vs. gap), A62 (= A60), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ I111), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (≠ Y185), V188 (= V186), T190 (= T188), L192 (= L190), V193 (= V191)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
40% identity, 100% coverage: 1:258/258 of query aligns to 1:260/260 of 3vdrA

query
sites
3vdrA

M

M

V

L

K

K

D

G

K

K

V

K

T

A

I

V

I

V

T

T

G
|
G

A

S

A
x
T

S

S

G
|
G

L
x
I

G

G

L

L

E

A

I

M

S

A

K

T

V

E

F

L

L

A

K

K

N

A

G

G

A

A

K

D

V

V

V

V

L

I

S

N

-

G

-
x
F

-

G

-

Q

-

P

-

E

D

D

I

I

N

E

Q

R

E

E

K

R

L

-

D

S

E

T

I

L

V

E

E

S

D

K

L

F

K

G

A

V

K

K

A

A

Y

Y

D

Y

C

-

L

-

G

-

I

L

R

N

A

A

D
|
D

V
x
L

T

S

S

D

E

A

D

Q

D

A

I

T

E

R

N

D

L

F

I

I

D

A

R

K

T

A

K

A

E

E

E

A

Y

L

G

G

R

G

I

L

D

D

V

I

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

L

I

Q
|
Q

H

H

V

T

S

A

D

P

I

I

E

E

E

E

F

F

P

P

T

V

D

D

K

K

F

W

R

N

Q

A

M

I

I

I

D

A

I
x
L

M
x
N

L

L

V

S

A

A

P

V

F

F

I

H

G

G

T

T

K

A

H

A

V

A

M

L

P

P

I

I

M

M

K

Q

E

K

Q

Q

G

G

S

W

G

G

T

R

I

I

L

I

N

N

M

I

A

A

S
|
S

I

A

N
x
H

G

G

V

L

I

V

G

A

F

S

A

V

G

N

K
|
K

A

S

A

A

Y
|
Y

N

V

S

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

A

T

A

A

L

L

E

E

A

N

A

A

E

G

H

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P

P

G
|
G

Y
x
W

V
|
V

D

R

T
|
T

P

P

L
|
L

V
|
V

R

E

G

K

Q
|
Q

M

I

E

E

D

A

L
x
I

A

S

Q

Q

S

Q

R

K

G

G

V

I

A

D

A

I

D

E

K

A

V

A

I

A

E

R

E

E

V

L

L

L

F

A

P

E

L

K

I

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

E

T

I

P

G

E

E

Q

I

L

A

G

D

G

Y

A

A

A

M

V

F

F

L

L

T

S

S

S

D

A

S

A

A

A

K

D

G

Q

V

M

T

T

G

G

Q

T

A

T

V

L

L

S

I

L

D

D

G

G

G

G

Y
x
W

T

T

V

A

Q

R

active site: G15 (= G15), N114 (≠ M112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (≠ L198)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q92), H144 (≠ N142), K152 (= K150), Y155 (= Y153), W187 (≠ Y185), Q196 (= Q194), W257 (≠ Y255)
binding acetoacetic acid: Q94 (= Q92), H144 (≠ N142), K152 (= K150), Y155 (= Y153), W187 (≠ Y185), Q196 (= Q194), W257 (≠ Y255)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (≠ A13), I16 (≠ L16), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ I111), K159 (= K157), G186 (= G184), V188 (= V186), T190 (= T188), L192 (= L190), V193 (= V191)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G11), T13 (≠ A13), I16 (≠ L16), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ I111), S142 (= S140), Y155 (= Y153), K159 (= K157), G186 (= G184), V188 (= V186), T190 (= T188), L192 (= L190), V193 (= V191)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
40% identity, 100% coverage: 1:258/258 of query aligns to 1:260/260 of 3vdqA

query
sites
3vdqA

M

M

V

L

K

K

D

G

K

K

V

K

T

A

I

V

I

V

T

T

G
|
G

A

S

A

T

S
|
S

G
|
G

L
x
I

G

G

L

L

E

A

I

M

S

A

K

T

V

E

F

L

L

A

K

K

N

A

G

G

A

A

K

D

V

V

V

V

L

I

S

N

-

G

-
x
F

-

G

-

Q

-

P

-

E

D

D

I

I

N

E

Q

R

E

E

K

R

L

-

D

S

E

T

I

L

V

E

E

S

D

K

L

F

K

G

A

V

K

K

A

A

Y

Y

D

Y

C

-

L

-

G

-

I

L

R

N

A

A

D
|
D

V
x
L

T

S

S

D

E

A

D

Q

D

A

I

T

E

R

N

D

L

F

I

I

D

A

R

K

T

A

K

A

E

E

E

A

Y

L

G

G

R

G

I

L

D

D

V

I

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

L

I

Q
|
Q

H

H

V

T

S

A

D

P

I

I

E

E

E

E

F

F

P

P

T

V

D

D

K

K

F

W

R

N

Q

A

M

I

I

I

D

A

I
x
L

M
x
N

L

L

V

S

A

A

P

V

F

F

I

H

G

G

T

T

K

A

H

A

V

A

M

L

P

P

I

I

M

M

K

Q

E

K

Q

Q

G

G

S

W

G

G

T

R

I

I

L

I

N

N

M
x
I

A

A

S
|
S

I

A

N
x
H

G

G

V

L

I

V

G

A

F

S

A

V

G

N

K
|
K

A

S

A

A

Y
|
Y

N

V

S

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

A

T

A

A

L

L

E

E

A

N

A

A

E

G

H

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

D

R

T
|
T

P

P

L
|
L

V
|
V

R

E

G

K

Q
|
Q

M

I

E

E

D

A

L
x
I

A

S

Q

Q

S

Q

R

K

G

G

V

I

A

D

A

I

D

E

K

A

V

A

I

A

E

R

E

E

V

L

L

L

F

A

P

E

L

K

I

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

E

T

I

P

G

E

E

Q

I

L

A

G

D

G

Y

A

A

A

M

V

F

F

L

L

T

S

S

S

D

A

S

A

A

A

K

D

G

Q

V

M

T

T

G

G

Q

T

A

T

V

L

L

S

I

L

D

D

G

G

G

G

Y

W

T

T

V

A

Q

R

active site: G15 (= G15), N114 (≠ M112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (≠ L198)
binding acetate ion: Q94 (= Q92), H144 (≠ N142), K152 (= K150), W187 (≠ Y185), L192 (= L190), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), S14 (= S14), I16 (≠ L16), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ I111), I140 (≠ M138), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (≠ Y185), V188 (= V186), T190 (= T188), L192 (= L190), V193 (= V191)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
38% identity, 100% coverage: 1:258/258 of query aligns to 1:236/236 of 1x1tA

query
sites
1x1tA

M

M

V

L

K

K

D

G

K

K

V

V

T

A

I

V

I

V

T

T

G
|
G

A

S

A
x
T

S
|
S

G
|
G

L
x
I

G

G

L

L

E

G

I

I

S

A

K

T

V

A

F

L

L

A

K

A

N

Q

G

G

A

A

K

D

V

I

V

V

L

L

S

N

D
x
G

I
x
F

-

G

N

D

Q

A

E

A

K

E

L

I

D

E

E

K

I

V

V

R

E

A

D

G

L

L

K

A

A

A

K

Q

A

H

-

G

-

V

-

K

-

V

-

L

Y

Y

D

D

C

G

L

-

G

-

I

-

R

-

A

A

D
|
D

V
x
L

T

S

S

K

E

G

D

E

D

A

I

V

E

R

N

G

L

L

I

V

D

D

R

N

T

A

K

V

E

R

E

Q

Y

M

G

G

R

R

I

I

D

D

V

I

L

L

F

V

N

N

N
|
N

A

A

G
|
G

L

I

Q

Q

H

H

V

T

S

A

D

L

I

I

E

E

E

D

F

F

P

P

T

T

D

E

K

K

F

W

R

D

Q

A

M

I

I

L

D

A

I
x
L

M
x
N

L

L

V

S

A

A

P

V

F

F

I

H

G

G

T

T

K

A

H

A

V

A

M

L

P

P

I

H

M

M

K

K

E

K

Q

Q

G

G

S

F

G

G

T

R

I

I

L

I

N

N

M

I

A

A

S
|
S

I

A

N
x
H

G

G

V

L

I

V

G

A

F

S

A

A

G

N

K

K

A

S

A

A

Y
|
Y

N

V

S

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

K

K

V

V

A

T

A

A

L

L

E

E

A

T

A

A

E

G

H

Q

G

G

I

I

T

T

V

A

N

N

A

A

I

I

C

C

P
|
P

G

G

Y
x
W

V
|
V

D

R

T
|
T

P

L

L

L

V

S

R

E

G

K

Q

Q

M

-

E

-

D

-

L

-

A

-

Q

-

S

-

R

-

G

-

V

-

A

-

A

-

D

-

K

-

V

-

I

-

E

-

E

-

V

-

L

-

F

-

P

-

L

-

I

-

P

P

Q

S

K

L

R

Q

L

F

I

V

E

T

I

P

G

E

E

Q

I

L

A

G

D

G

Y

T

A

A

M

V

F

F

L

L

T

A

S

S

D

D

S

A

A

A

K

A

G

Q

V

I

T

T

G

G

Q

T

A

T

V

V

L

S

I

V

D

D

G

G

G

G

Y
x
W

T

T

V

A

Q

R

active site: G15 (= G15), N114 (≠ M112), S142 (= S140), Y155 (= Y153), K159 (= K157)
binding cacodylate ion: S142 (= S140), H144 (≠ N142), Y155 (= Y153), W187 (≠ Y185), W233 (≠ Y255)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (≠ A13), S14 (= S14), G15 (= G15), I16 (≠ L16), G35 (≠ D35), F36 (≠ I36), D63 (= D61), L64 (≠ V62), N90 (= N88), G92 (= G90), L113 (≠ I111), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), W187 (≠ Y185), V188 (= V186), T190 (= T188)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
38% identity, 100% coverage: 2:258/258 of query aligns to 2:255/255 of 2q2qD

query
sites
2q2qD

V

L

K

K

D

G

K

K

V

T

T

A

I

L

I

V

T

T

G
|
G

A

S

A
x
T

S
|
S

G
|
G

L
x
I

G

G

L

L

E

G

I

I

S

A

K

Q

V

V

F

L

L

A

K

R

N

A

G

G

A

A

K

N

V

I

V

V

L

L

S

N

D

G

I
x
F

N

G

-

D

-

P

Q

A

E

P

K

A

L

L

D

A

E

E

I

I

V

A

E

R

D

H

-

G

L

V

K

K

A

A

K

V

A

H

Y

H

D

P

C

-

L

-

G

-

I

-

R

-

A

A

D
|
D

V
x
L

T

S

S

D

E

V

D

A

D

Q

I

I

E

E

N

A

L

L

I

F

D

A

R

L

T

A

K

E

E

R

E

E

Y

F

G

G

R

G

I

V

D

D

V

I

L

L

F

V

N

N

N
|
N

A

A

G
|
G

L

I

Q

Q

H

H

V

V

S

A

D

P

I

V

E

E

E

Q

F

F

P

P

T

L

D

E

K

S

F

W

R

D

Q

K

M

I

I

I

D

A

I
x
L

M

N

L

L

V

S

A

A

P

V

F

F

I

H

G

G

T

T

K

R

H

L

V

A

M

L

P

P

I

G

M

M

K

R

E

A

Q

R

G

N

S

W

G

G

T

R

I

I

L

I

N

N

M
x
I

A

A

S
|
S

I

V

N

H

G

G

V

L

I

V

G

G

F

S

A

T

G

G

K

K

A

A

A

A

Y
|
Y

N

V

S

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

A

V

A

G

L

L

E

E

A

T

A

A

E

T

H

S

G

N

I

V

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

D

L

T
|
T

P

P

L
|
L

V
|
V

R

Q

G

K

Q

Q

M

I

E

D

D

D

L
x
R

A

A

Q

A

S

N

R

G

G

G

V

D

A

P

A

L

D

-

K

Q

V

A

I

Q

E

H

E

D

V

L

L

L

F

A

P

E

L

K

I

Q

P

P

Q

S

K

L

R

A

L

F

I

V

E

T

I

P

G

E

E

H

I

L

A

G

D

E

Y

L

A

V

M

L

F

F

L

L

T

C

S

S

D

E

S

A

A

G

K

S

G

Q

V

V

T

R

G

G

Q

A

A

A

V

W

L

N

I

V

D

D

G

G

G

G

Y

W

T

L

V

A

Q

Q

active site: G15 (= G15), S138 (= S140), Y151 (= Y153), K155 (= K157), R196 (≠ L198)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (≠ A13), S14 (= S14), G15 (= G15), I16 (≠ L16), F36 (≠ I36), D59 (= D61), L60 (≠ V62), N86 (= N88), G88 (= G90), L109 (≠ I111), I136 (≠ M138), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), W183 (≠ Y185), V184 (= V186), T186 (= T188), L188 (= L190), V189 (= V191)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
37% identity, 99% coverage: 1:256/258 of query aligns to 2:246/248 of 6ixmC

query
sites
6ixmC

M

I

V

L

K

D

D

N

K

K

V

V

T

A

I

L

I

V

T

T

G
|
G

A

A

A

G

S
|
S

G
|
G

L
x
I

G

G

L

L

E

A

I

V

S

A

K

H

V

S

F

Y

L

A

K

K

N

E

G

G

A

A

K

K

V

V

V

I

L

V

S

S

D
|
D

I
|
I

N

N

Q

E

E

D

K

H

L

G

D

N

E

K

I

A

V

V

E

E

D

D

L

I

K

K

A

A

K

Q

A

G

Y

G

D

E

C

A

L

S

G

F

I

V

R

K

A
|
A

D
|
D

V
x
T

T

S

S

N

E

P

D

E

D

E

I

V

E

E

N

A

L

L

I

V

D

K

R

R

T

T

K

V

E

E

E

I

Y

Y

G

G

R

R

I

L

D

D

V

I

L

A

F

C

N

N

N
|
N

A
|
A

G

G

L

I

Q

G

H

G

V

E

S

Q

D

A

I

L

E

A

-

G

E

D

F

Y

P

G

T

L

D

D

K

S

F

W

R

R

Q

K

M

V

I

L

D

S

I

I

M

N

L

L

V

D

A

G

P

V

F

F

I

Y

G

G

T

C

K

K

H

Y

V

E

M

L

P

E

I

Q

M

M

K

E

E

K

Q

N

G

G

S

G

G

G

T

V

I

I

L

V

N

N

M
|
M

A

A

S
|
S

I

I

N

H

G

G

V

I

I

V

G

A

F

A

A

P

G

L

K

S

A

S

A

A

Y
|
Y

N

T

S

S

A

A

K
|
K

H

H

G

A

V

V

I

V

G

G

L

L

T

T

K

K

V

N

A

I

A

G

L

A

E

E

A

Y

A

G

E

Q

H

K

G

N

I

I

T

R

V

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

Y
|
Y

V
x
I

D

E

T

T

P

P

L
|
L

V

-

R

-

G

-

Q

-

M

L

E

E

D

S

L

L

A

T

Q

-

S

-

R

-

G

-

V

-

A

-

A

-

D

-

K

K

V

E

I

M

E

K

E

E

V

A

L

L

F

I

P

S

L

K

I

H

P

P

Q

M

K

G

R

R

L

L

I

G

E

K

I

P

G

E

E

E

I

V

A

A

D

E

Y

L

A

V

M

L

F

F

L

L

T

S

S

S

D

E

S

K

A

S

K

S

G

F

V

M

T

T

G

G

Q

G

A

Y

V

Y

L

L

I

V

D

D

G

G

G

G

Y

Y

T

T

active site: G16 (= G15), S142 (= S140), Y155 (= Y153), K159 (= K157)
binding nicotinamide-adenine-dinucleotide: G12 (= G11), S15 (= S14), G16 (= G15), I17 (≠ L16), D36 (= D35), I37 (= I36), A61 (= A60), D62 (= D61), T63 (≠ V62), N89 (= N88), A90 (= A89), M140 (= M138), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), A186 (≠ G184), Y187 (= Y185), I188 (≠ V186), L192 (= L190)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
38% identity, 98% coverage: 5:258/258 of query aligns to 5:255/255 of 5yssB

query
sites
5yssB

K

K

V

T

T

A

I

L

I

V

T

T

G
|
G

A

S

A
x
T

S
|
S

G
|
G

L
x
I

G

G

L

L

E

G

I

I

S

A

K

Q

V

V

F

L

L

A

K

Q

N

A

G

G

A

A

K

T

V

L

V

I

L

L

S

N

-
x
G

-
x
F

-

G

D

D

I

V

N

D

Q

A

E

A

K

K

L

-

D

D

E

A

I

V

V

A

E

Q

D

Y

L

G

K

K

A

T

K

P

A

G

Y

Y

D

H

C

-

L

-

G

-

I

-

R

G

A

A

D

D

V
x
L

T

S

S

D

E

E

D

A

D

Q

I

I

E

A

N

D

L

M

I

M

D

R

R

Y

T

A

K

E

E

S

E

E

Y

F

G

G

R

G

I

V

D

D

V

I

L

L

F

I

N

N

N
|
N

A

A

G
|
G

L
x
I

Q

Q

H

H

V

V

S

S

D

P

I

I

E

E

E

T

F

F

P

P

T

V

D

D

K

K

F

W

R

N

Q

A

M

I

I

I

D

A

I

I

M

N

L

L

V

S

A

S

P

V

F

F

I

H

G

T

T

T

K

R

H

L

V

A

M

L

P

P

I

G

M

M

K

R

E

A

Q

R

G

N

S

W

G

G

T

R

I

I

L

I

N

N

M

I

A
|
A

S

S

I

V

N

H

G

G

V

L

I

V

G

A

F

S

A

K

G

E

K

K

A

S

A

A

Y
|
Y

N

V

S

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

T

A

I

A

A

L

L

E

E

A

T

A

A

E

Q

H

T

G

E

I

I

T

T

V

C

N

N

A

A

I

L

C

C

P
|
P

G
|
G

Y

W

V
|
V

D

L

T
|
T

P

P

L

L

V

V

R

Q

G

Q

Q

Q

M

I

E

-

D

D

L

K

A

R

Q

I

S

A

R

E

G

G

V

A

A

E

A

P

D

E

K

A

V

A

I

R

E

D

E

A

V

L

L

L

F

A

P

E

L

K

I

Q

P

P

Q

S

K

R

R

E

L

F

I

V

E

T

I

P

G

E

E

Q

I

L

A

G

D

N

Y

L

A

A

M

L

F

F

L

L

T

C

S

S

D

D

S

G

A

A

K

A

G

Q

V

V

T

R

G

G

Q

V

A

A

V

W

L

N

I

M

D

D

G

G

G

G

Y

W

T

V

V

A

Q

Q

binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (≠ A13), S14 (= S14), G15 (= G15), I16 (≠ L16), G35 (vs. gap), F36 (vs. gap), L60 (≠ V62), N86 (= N88), G88 (= G90), I89 (≠ L91), A137 (= A139), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), V184 (= V186), T186 (= T188)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 98% coverage: 2:254/258 of query aligns to 5:241/244 of 4nbuB

query
sites
4nbuB

V

L

K

Q

D

D

K

K

V

V

T

A

I

I

I

I

T

T

G
|
G

A

A

A

A

S
x
N

G
|
G

L
x
I

G

G

L

L

E

E

I

A

S

A

K

R

V

V

F

F

L

M

K

K

N

E

G

G

A

A

K

K

V

V

V

V

L

I

S

A

D
|
D

I
x
F

N

N

Q

E

E

A

K

A

L

G

D

K

E

E

I

A

V

V

E

E

D

A

L

N

K

P

A

G

K

V

A

V

Y

F

D

-

C

-

L

-

G

-

I

I

R

R

A
x
V

D
|
D

V
|
V

T

S

S

D

E

R

D

E

D

S

I

V

E

H

N

R

L

L

I

V

D

E

R

N

T

V

K

A

E

E

E

R

Y

F

G

G

R

K

I

I

D

D

V

I

L

L

F

I

N

N

N
|
N

A
|
A

G
|
G

L
x
I

Q

T

H

R

V
x
D

S

S

D

M

I

L

E

S

E
x
K

F

M

P

T

T

V

D

D

K

Q

F

F

R

Q

Q

Q

M

V

I

I

D

N

I

V

M
x
N

L

L

V

T

A

G

P

V

F

F

I

H

G

C

T

T

K

Q

H

A

V

V

M

L

P

P

I

Y

M

M

K

A

E

E

Q

Q

G

G

S

K

G

G

T

K

I

I

L

I

N

N

M
x
T

A

S

S
|
S

I

V

N

T

G

G

V

T

I

Y

G

G

F
x
N

A
x
V

G

G

K
x
Q

A

T

A

N

Y
|
Y

N

A

S

A

A

A

K
|
K

H

A

G

G

V

V

I

I

G

G

L

M

T

T

K

K

V

T

A

W

A

A

L

K

E

E

A

L

A

A

E

R

H

K

G

G

I

I

T

N

V

V

N

N

A

A

I

V

C

A

P
|
P

G

G

Y
x
F

V
x
T

D

E

T
|
T

P

A

L
x
M

V

V

R

-

G

-

Q

-

M

-

E

-

D

-

L

-

A

-

Q

-

S

-

R

-

G

A

V

E

A

V

A

P

D

E

K

K

V

V

I

I

E

E

E
x
K

V

-

L

M

F

K

P

A

L

Q

I

V

P

P

Q

M

K

G

R

R

L

L

I

G

E

K

I

P

G

E

E

D

I

I

A

A

D

N

Y

A

A

Y

M

L

F

F

L

L

T

A

S

S

D

H

S

E

A

S

K

D

G

Y

V

V

T

N

G

G

Q

H

A

V

V

L

L

H

I

V

D

D

G

G

G

G

active site: G18 (= G15), N111 (≠ M112), S139 (= S140), Q149 (≠ K150), Y152 (= Y153), K156 (= K157)
binding acetoacetyl-coenzyme a: D93 (≠ V94), K98 (≠ E99), S139 (= S140), N146 (≠ F147), V147 (≠ A148), Q149 (≠ K150), Y152 (= Y153), F184 (≠ Y185), M189 (≠ L190), K200 (≠ E212)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G11), N17 (≠ S14), G18 (= G15), I19 (≠ L16), D38 (= D35), F39 (≠ I36), V59 (≠ A60), D60 (= D61), V61 (= V62), N87 (= N88), A88 (= A89), G89 (= G90), I90 (≠ L91), T137 (≠ M138), S139 (= S140), Y152 (= Y153), K156 (= K157), P182 (= P183), F184 (≠ Y185), T185 (≠ V186), T187 (= T188), M189 (≠ L190)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)- hydroxypropylethane thiosulfonate dehydrogenases (see paper)
37% identity, 98% coverage: 4:256/258 of query aligns to 2:248/250 of 2cfcA

query
sites
2cfcA

D

S

K

R

V

V

T

A

I

I

I

V

T

T

G
|
G

A

A

A

S

S
|
S

G
|
G

L
x
N

G

G

L

L

E

A

I

I

S

A

K

T

V

R

F

F

L

L

K

A

N

R

G

G

A

D

K

R

V

V

V

A

L

A

S

L

D
|
D

I
x
L

N

S

Q

A

E

E

K

T

L

L

D

E

E

E

I

T

V

A

E

R

-

T

D

H

L

W

K

H

A

A

K

Y

A

A

Y

D

D

K

C

V

L

L

G

R

I

V

R

R

A
|
A

D
|
D

V
|
V

T

A

S

D

E

E

D

G

D

D

I

V

E

N

N

A

L

A

I

I

D

A

R

A

T

T

K

M

E

E

E

Q

Y

F

G

G

R

A

I

I

D

D

V

V

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

L

I

Q

T

H

G

V

N

S

S

D

E

-

A

-

G

-

V

I

L

E

H

E

T

F

T

P

P

T

V

D

E

K

Q

F

F

R

D

Q

K

M

V

I

M

D

A

I

V

M

N

L

V

V

R

A

G

P

I

F

F

I

L

G

G

T

C

K

R

H

A

V

V

M

L

P

P

I

H

M

M

K

L

E

L

Q

Q

G

G

S

A

G

G

T

V

I

I

L

V

N

N

M
x
I

A

A

S
|
S

I

V

N

A

G

S

V

L

I

V

G

A

F
|
F

A

P

G

G

K
x
R

A

S

A

A

Y
|
Y

N

T

S

T

A

S

K
|
K

H

G

G

A

V

V

I

L

G

Q

L

L

T

T

K

K

V

S

A

V

A

A

L

V

E

D

A

Y

A

A

E

G

H

S

G

G

I

I

T

R

V

C

N

N

A

A

I

V

C

C

P
|
P

G
|
G

Y
x
M

V
x
I

D

E

T
|
T

P
|
P

L
x
M

V
x
T

R

Q

G
x
W

Q
x
R

M

L

E

-

D

D

L

Q

A

P

Q

E

S

L

R

R

G

-

V

-

A

-

A

-

D

D

K

Q

V

V

I

L

E

A

E

R

V

-

L

-

F

-

P

-

L

-

I

I

P

P

Q

Q

K

K

R

E

L

I

I

G

E

T

I

A

G

A

E

Q

I

V

A

A

D

D

Y

A

A

V

M

M

F

F

L

L

T

A

S

G

D

E

S

D

A

A

K

T

G

Y

V

V

T

N

G

G

Q

A

A

A

V

L

L

V

I

M

D

D

G

G

G

A

Y

Y

T

T

active site: G13 (= G15), S142 (= S140), Y155 (= Y153), K159 (= K157)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (= F147), R152 (≠ K150), Y155 (= Y153), W195 (≠ G193), R196 (≠ Q194)
binding nicotinamide-adenine-dinucleotide: G9 (= G11), S12 (= S14), G13 (= G15), N14 (≠ L16), D33 (= D35), L34 (≠ I36), A59 (= A60), D60 (= D61), V61 (= V62), N87 (= N88), A88 (= A89), G89 (= G90), I140 (≠ M138), P185 (= P183), G186 (= G184), M187 (≠ Y185), I188 (≠ V186), T190 (= T188), P191 (= P189), M192 (≠ L190), T193 (≠ V191)

Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
37% identity, 98% coverage: 4:256/258 of query aligns to 2:248/250 of Q56840

query
sites
Q56840

D

S

K

R

V

V

T

A

I

I

I

V

T

T

G

G

A

A

A

S

S
|
S

G
|
G

L
x
N

G

G

L

L

E

A

I

I

S

A

K

T

V

R

F

F

L

L

K

A

N

R

G

G

A

D

K

R

V

V

V

A

L

A

S

L

D
|
D

I

L

N

S

Q

A

E

E

K

T

L

L

D

E

E

E

I

T

V

A

E

R

-

T

D

H

L

W

K

H

A

A

K

Y

A

A

Y

D

D

K

C

V

L

L

G

R

I

V

R

R

A

A

D
|
D

V
|
V

T

A

S

D

E

E

D

G

D

D

I

V

E

N

N

A

L

A

I

I

D

A

R

A

T

T

K

M

E

E

E

Q

Y

F

G

G

R

A

I

I

D

D

V

V

L

L

F

V

N

N

N
|
N

A

A

G

G

L

I

Q

T

H

G

V

N

S

S

D

E

-

A

-

G

-

V

I

L

E

H

E

T

F

T

P

P

T

V

D

E

K

Q

F

F

R

D

Q

K

M

V

I

M

D

A

I

V

M

N

L

V

V

R

A

G

P

I

F

F

I

L

G

G

T

C

K

R

H

A

V

V

M

L

P

P

I

H

M

M

K

L

E

L

Q

Q

G

G

S

A

G

G

T

V

I

I

L

V

N

N

M

I

A

A

S
|
S

I

V

N

A

G

S

V

L

I

V

G

A

F

F

A

P

G

G

K
x
R

A

S

A

A

Y
|
Y

N

T

S

T

A

S

K
|
K

H

G

G

A

V

V

I

L

G

Q

L

L

T

T

K

K

V

S

A

V

A

A

L

V

E

D

A

Y

A

A

E

G

H

S

G

G

I

I

T
x
R

V

C

N

N

A

A

I

V

C

C

P

P

G

G

Y

M

V
x
I

D
x
E

T
|
T

P
|
P

L
x
M

V

T

R

Q

G
x
W

Q
x
R

M

L

E

-

D

D

L

Q

A

P

Q

E

S

L

R
|
R

G

-

V

-

A

-

A

-

D

D

K

Q

V

V

I

L

E

A

E
x
R

V

-

L

-

F

-

P

-

L

-

I

I

P

P

Q

Q

K

K

R

E

L

I

I

G

E

T

I

A

G

A

E

Q

I

V

A

A

D

D

Y

A

A