SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 6936328 FitnessBrowser__SB2B:6936328 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)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
51% identity, 97% coverage: 8:266/266 of query aligns to 2:260/260 of 5b4tA

query
sites
5b4tA

L

L

E

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

Q

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

N

D

L

V

I

V

L

I

H
x
N

G
|
G

L
x
F

L

G

P

Q

E

P

D

E

E

D

G

I

Q

E

S

R

M

E

A

R

A

S

D

T

F

L

A

E

A

S

Q

K

Y

F

R

G

I

V

R

K

T

A

F

Y

S

L

N

N

A
|
A

D
|
D

L
|
L

R

S

Q

D

P

A

E

Q

S

A

I

T

H

R

R

D

F

F

M

I

A

A

E

K

G

A

T

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q
|
Q

H

H

T

T

D

A

S

P

V

I

A

E

S

E

F

F

P

P

I

V

E

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

Q

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P
|
P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

V
x
I

A

S

N

Q

T

Q

K

K

G

G

L

I

D

D

Y

I

H

E

E

A

A

A

R

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

A

A

L

V

F

F

L

L

C

S

G

S

D

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G21), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (≠ V206)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q100), S142 (= S148), H144 (= H150), K152 (= K158), Y155 (= Y161), W187 (= W193), L192 (= L198), Q196 (= Q202), W257 (= W263)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), N34 (≠ H40), G35 (= G41), F36 (≠ L42), A62 (= A68), D63 (= D69), L64 (= L70), N90 (= N96), A91 (= A97), G92 (= G98), I93 (= I99), L113 (≠ I119), I140 (= I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (= W193), V188 (= V194), T190 (= T196), P191 (= P197), L192 (= L198), V193 (≠ I199)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
51% identity, 97% coverage: 8:266/266 of query aligns to 2:260/260 of 3w8dA

query
sites
3w8dA

L

L

E

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

Q

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

N

D

L

V

I

V

L

I

H
x
N

G
|
G

L
x
F

L

G

P

Q

E

P

D

E

E

D

G

I

Q

E

S

R

M

E

A

R

A

S

D

T

F

L

A

E

A

S

Q

K

Y

F

R

G

I

V

R

K

T

A

F

Y

S

L

N

N

A
|
A

D
|
D

L
|
L

R

S

Q

D

P

A

E

Q

S

A

I

T

H

R

R

D

F

F

M

I

A

A

E

K

G

A

T

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q
|
Q

H

H

T

T

D

A

S

P

V

I

A

E

S

E

F

F

P

P

I

V

E

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

Q

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P
|
P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

V
x
I

A

S

N

Q

T

Q

K

K

G

G

L

I

D

D

Y

I

H

E

E

A

A

A

R

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

A

A

L

V

F

F

L

L

C

S

G

S

D

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G21), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (≠ V206)
binding methylmalonic acid: Q94 (= Q100), S142 (= S148), H144 (= H150), K152 (= K158), Y155 (= Y161), W187 (= W193), L192 (= L198), Q196 (= Q202), W257 (= W263)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), N34 (≠ H40), G35 (= G41), F36 (≠ L42), A62 (= A68), D63 (= D69), L64 (= L70), N90 (= N96), A91 (= A97), G92 (= G98), I93 (= I99), L113 (≠ I119), I140 (= I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (= W193), V188 (= V194), T190 (= T196), P191 (= P197), L192 (= L198), V193 (≠ I199)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
51% identity, 97% coverage: 8:266/266 of query aligns to 2:260/260 of 3vdrA

query
sites
3vdrA

L

L

E

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

Q

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

N

D

L

V

I

V

L

I

H

N

G

G

L
x
F

L

G

P

Q

E

P

D

E

E

D

G

I

Q

E

S

R

M

E

A

R

A

S

D

T

F

L

A

E

A

S

Q

K

Y

F

R

G

I

V

R

K

T

A

F

Y

S

L

N

N

A

A

D
|
D

L
|
L

R

S

Q

D

P

A

E

Q

S

A

I

T

H

R

R

D

F

F

M

I

A

A

E

K

G

A

T

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

T

T

D

A

S

P

V

I

A

E

S

E

F

F

P

P

I

V

E

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

Q

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P

P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

V
x
I

A

S

N

Q

T

Q

K

K

G

G

L

I

D

D

Y

I

H

E

E

A

A

A

R

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

A

A

L

V

F

F

L

L

C

S

G

S

D

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G21), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (≠ V206)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q100), S142 (= S148), H144 (= H150), K152 (= K158), Y155 (= Y161), W187 (= W193), L192 (= L198), Q196 (= Q202), W257 (= W263)
binding acetoacetic acid: Q94 (= Q100), S142 (= S148), H144 (= H150), K152 (= K158), Y155 (= Y161), G186 (= G192), W187 (= W193), L192 (= L198), Q196 (= Q202), W257 (= W263)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), F36 (≠ L42), D63 (= D69), L64 (= L70), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ I119), I140 (= I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (= W193), V188 (= V194), T190 (= T196), L192 (= L198), V193 (≠ I199)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), F36 (≠ L42), D63 (= D69), L64 (= L70), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ I119), I140 (= I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (= W193), V188 (= V194), T190 (= T196), L192 (= L198), V193 (≠ I199)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
51% identity, 97% coverage: 8:266/266 of query aligns to 2:260/260 of 3vdqA

query
sites
3vdqA

L

L

E

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

Q

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

N

D

L

V

I

V

L

I

H
x
N

G

G

L
x
F

L

G

P

Q

E

P

D

E

E

D

G

I

Q

E

S

R

M

E

A

R

A

S

D

T

F

L

A

E

A

S

Q

K

Y

F

R

G

I

V

R

K

T

A

F

Y

S

L

N

N

A
|
A

D
|
D

L
|
L

R
x
S

Q

D

P

A

E

Q

S

A

I

T

H

R

R

D

F

F

M

I

A

A

E

K

G

A

T

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

T

T

D

A

S

P

V

I

A

E

S

E

F

F

P

P

I

V

E

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

Q

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P
|
P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

V
x
I

A

S

N

Q

T

Q

K

K

G

G

L

I

D

D

Y

I

H

E

E

A

A

A

R

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

A

A

L

V

F

F

L

L

C

S

G

S

D

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

W

W

T

T

A

A

Q

R

active site: G15 (= G21), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (≠ V206)
binding acetate ion: Q94 (= Q100), H144 (= H150), K152 (= K158), Y155 (= Y161), W187 (= W193), L192 (= L198), Q196 (= Q202)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), N34 (≠ H40), F36 (≠ L42), A62 (= A68), D63 (= D69), L64 (= L70), S65 (≠ R71), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ I119), I140 (= I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (= W193), V188 (= V194), T190 (= T196), P191 (= P197), L192 (= L198), V193 (≠ I199)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
51% identity, 97% coverage: 8:266/266 of query aligns to 2:260/260 of 2ztlA

query
sites
2ztlA

L

L

E

K

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

Q

T

V

A

L

L

A

A

E

A

Q

Q

G

G

C

A

N

D

L

I

I

V

L

L

H
x
N

G
|
G

L
x
F

L

G

P

D

E

A

D

A

E

E

G

I

Q

E

S

K

M

V

A

R

A

A

D

G

F

L

A

A

Q

Q

Y

H

R

G

I

V

R

K

T

V

F

L

F

Y

S

D

N

G

A
|
A

D
|
D

L
|
L

R

S

Q

K

P

G

E

E

S

A

I

V

H

R

R

G

F

L

M

V

A

D

E

N

G

A

T

V

K

R

A

Q

L

M

G

G

S

R

I

I

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q
|
Q

H

H

T

T

D

A

S

L

V

I

A

E

S

D

F

F

P

P

I

T

E

E

K

K

W

W

N

D

D

A

I

I

I

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

A

A

A

V

L

P

P

A

H

M

M

A

K

Q

K

K

Q

R

G

W

F

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

A

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

T

A

A

E

G

Q

Q

G

G

I

I

T

T

V

A

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P
|
P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

S

A

A

V
x
L

A

A

N

E

T

K

K

N

G

G

L

V

D

D

Y

Q

H

E

E

T

A

A

R

A

Y

R

Q

E

L

L

V

L

T

S

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

T

A

A

L

V

F

F

L

L

C

A

G

S

D

D

A

A

R

A

G

Q

I

I

T

T

G

G

A

T

S

T

L

V

A

S

M

V

D

D

G

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G21), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), L200 (≠ V206)
binding (3s)-3-hydroxybutanoic acid: Q94 (= Q100), S142 (= S148), H144 (= H150), K152 (= K158), Y155 (= Y161), G186 (= G192), W187 (= W193), L192 (= L198), Q196 (= Q202), W257 (= W263)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), N34 (≠ H40), G35 (= G41), F36 (≠ L42), A62 (= A68), D63 (= D69), L64 (= L70), N90 (= N96), A91 (= A97), G92 (= G98), I93 (= I99), L113 (≠ I119), I140 (= I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (= W193), V188 (= V194), T190 (= T196), P191 (= P197), L192 (= L198), V193 (≠ I199)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
51% identity, 97% coverage: 8:266/266 of query aligns to 2:260/260 of 1wmbA

query
sites
1wmbA

L

L

E

K

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G

G

S

S

T

T

S

S

G
|
G

I

I

G

G

L

L

A

G

T

I

A

A

Q

T

V

A

L

L

A

A

E

A

Q

Q

G

G

C

A

N

D

L

I

I

V

L

L

H

N

G

G

L

F

L

G

P

D

E

A

D

A

E

E

G

I

Q

E

S

K

M

V

A

R

A

A

D

G

F

L

A

A

Q

Q

Y

H

R

G

I

V

R

K

T

V

F

L

F

Y

S

D

N

G

A

A

D

D

L

L

R

S

Q

K

P

G

E

E

S

A

I

V

H

R

R

G

F

L

M

V

A

D

E

N

G

A

T

V

K

R

A

Q

L

M

G

G

S

R

I

I

D

D

I

I

L

L

I

V

N

N

A

A

G

G

I

I

Q
|
Q

H

H

T

T

D

A

S

L

V

I

A

E

S

D

F

F

P

P

I

T

E

E

K

K

W

W

N

D

D

A

I

I

I

L

A

A

I

L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

A

A

A

V

L

P

P

A

H

M

M

A

K

Q

K

K

Q

R

G

W

F

G

G

R

R

I

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

A

N

N

K

K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

T

A

A

E

G

Q

Q

G

G

I

I

T

T

V

A

N

N

A

A

I

I

C

C

P

P

G
|
G

W

W

V

V

D

R

T

T

P

P

L

L

I

V

N

E

K

K

Q

Q

I

I

E

S

A

A

V
x
L

A

A

N

E

T

K

K

N

G

G

L

V

D

D

Y

Q

H

E

E

T

A

A

R

A

Y

R

Q

E

L

L

V

L

T

S

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

T

A

A

L

V

F

F

L

L

C

A

G

S

D

D

A

A

R

A

G

Q

I

I

T

T

G

G

A

T

S

T

L

V

A

S

M

V

D

D

G

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G21), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), L200 (≠ V206)
binding cacodylate ion: Q94 (= Q100), S142 (= S148), H144 (= H150), Y155 (= Y161), G186 (= G192), W257 (= W263)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
53% identity, 98% coverage: 7:266/266 of query aligns to 1:255/255 of 5yssB

query
sites
5yssB

S

N

L

L

E

T

G

G

K

K

V

T

G

A

L

L

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

Q

Q

V

V

L

L

A

A

E

Q

Q

A

G

G

C

A

N

T

L

L

I

I

L

L

H
x
N

G
|
G

L
x
F

L

G

P

D

E

V

D

D

E

-

G

-

Q

-

S

-

M

A

A

A

A

K

D

D

F

A

A

V

A

A

Q

Q

Y

Y

R

G

I

K

R

T

T

P

F

G

F

Y

S

H

N

G

A
|
A

D
|
D

L
|
L

R

S

Q

D

P

E

E

A

S

Q

I

I

H

A

R

D

F

M

M

M

A

R

E

Y

G

A

T

E

K

S

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

I

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q

Q

H

H

T

V

D

S

S

P

V

I

A

E

S

T

F

F

P

P

I

V

E

D

K

K

W

W

N

N

D

A

I

I

A

A

I
|
I

N

N

L

L

S

S

A

V

F

F

H

H

T

T

M

T

Q

R

Q

L

A

A

V

L

P

P

A

G

M

M

A

R

Q

A

K

R

R

N

W

W

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

V

H

H

G

G

L

L

V

V

A

A

S

S

V

K

N

E

K

K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

T

V

I

A

A

I

L

E

E

C

T

A

A

E

Q

Q

T

G

E

I

I

T

T

V

C

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

L

T
|
T

P
|
P

L
|
L

I

V

N

Q

K

Q

Q

Q

I

I

E

D

A

K

V

R

A

I

N

-

T

A

K

E

G

G

L

A

D

E

Y

P

H

E

E

A

A

A

R

R

Y

D

Q

A

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

R

E

E

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

N

F

L

A

A

L

L

F

F

L

L

C

C

G

S

D

D

A

G

A

A

R

A

G

Q

I

V

T

R

G

G

A

V

S

A

L

W

A

N

M

M

D

D

G

G

W

W

T

V

A

A

Q

Q

binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), N34 (≠ H40), G35 (= G41), F36 (≠ L42), A58 (= A68), D59 (= D69), L60 (= L70), N86 (= N96), A87 (= A97), G88 (= G98), I89 (= I99), I109 (= I119), I136 (= I146), A137 (= A147), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (= P191), G182 (= G192), W183 (= W193), V184 (= V194), T186 (= T196), P187 (= P197), L188 (= L198)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
50% identity, 98% coverage: 7:266/266 of query aligns to 1:255/255 of 2q2qD

query
sites
2q2qD

S

T

L

L

E

K

G

G

K

K

V

T

G

A

L

L

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

Q

Q

V

V

L

L

A

A

E

R

Q

A

G

G

C

A

N

N

L

I

I

V

L

L

H
x
N

G
|
G

L
x
F

L

-

P

-

E

G

D

D

E

P

G

A

Q

P

S

A

M

L

A

A

A

E

D

-

F

-

A

I

A

A

Q

R

Y

H

R

G

I

V

R

K

T

A

F

V

F

H

S

H

N

P

A
|
A

D
|
D

L
|
L

R

S

Q

D

P

V

E

A

S

Q

I

I

H

E

R

A

F

L

M

F

A

A

E

L

G

A

T

E

K

R

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q

Q

H

H

T

V

D

A

S

P

V

V

A

E

S

Q

F

F

P

P

I

L

E

E

K

S

W

W

N

D

D

K

I

I

A

A

I
x
L

N

N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

R

Q

L

A

A

V

L

P

P

A

G

M

M

A

R

Q

A

K

R

R

N

W

W

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

V

H

H

G

G

L

L

V

V

A

G

S

S

V

T

N

G

K

K

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

A

G

I

L

E

E

C

T

A

A

E

T

Q

S

G

N

I

V

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

L

T
|
T

P
|
P

L
|
L

I
x
V

N

Q

K

K

Q

Q

I

I

E

D

A

D

V
x
R

A

A

N

A

T

N

K

G

G

G

L

-

D

D

Y

P

H

L

E

Q

A

A

R

Q

Y

H

Q

D

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

A

M

F

L

V

D

T

P

P

R

E

Q

H

I

L

G

G

E

E

F

L

A

V

L

L

F

F

L

L

C

C

G

S

D

E

A

A

A

G

R

S

G

Q

I

V

T

R

G

G

A

A

S

A

L

W

A

N

M

V

D

D

G

G

W

W

T

L

A

A

Q

Q

active site: G15 (= G21), S138 (= S148), Y151 (= Y161), K155 (= K165), R196 (≠ V206)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), N34 (≠ H40), G35 (= G41), F36 (≠ L42), A58 (= A68), D59 (= D69), L60 (= L70), N86 (= N96), A87 (= A97), G88 (= G98), I89 (= I99), L109 (≠ I119), I136 (= I146), A137 (= A147), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (= P191), G182 (= G192), W183 (= W193), V184 (= V194), T186 (= T196), P187 (= P197), L188 (= L198), V189 (≠ I199)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
47% identity, 97% coverage: 8:266/266 of query aligns to 2:236/236 of 1x1tA

query
sites
1x1tA

L

L

E

K

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

Q

T

V

A

L

L

A

A

E

A

Q

Q

G

G

C

A

N

D

L

I

I

V

L

L

H
x
N

G
|
G

L
x
F

L

G

P

D

E

A

D

A

E

E

G

I

Q

E

S

K

M

V

A

R

A

A

D

G

F

L

A

A

Q

Q

Y

H

R

G

I

V

R

K

T

V

F

L

F

Y

S

D

N

G

A
|
A

D
|
D

L
|
L

R
x
S

Q

K

P

G

E

E

S

A

I

V

H

R

R

G

F

L

M

V

A

D

E

N

G

A

T

V

K

R

A

Q

L

M

G

G

S

R

I

I

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q

Q

H

H

T

T

D

A

S

L

V

I

A

E

S

D

F

F

P

P

I

T

E

E

K

K

W

W

N

D

D

A

I

I

I

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

M

T

Q

A

A

A

V

L

P

P

A

H

M

M

A

K

Q

K

K

Q

R

G

W

F

G

G

R

R

I

I

N

N

I
|
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

A

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

T

A

A

E

G

Q

Q

G

G

I

I

T

T

V

A

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P

-

L

-

I

-

N

-

K

-

Q

-

I

-

E

-

A

-

V

-

A

-

N

-

T

-

K

-

G

-

L

-

D

-

Y

-

H

-

E

-

A

-

R

-

Y

-

Q

-

L

L

V

L

T

S

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

T

A

A

L

V

F

F

L

L

C

A

G

S

D

D

A

A

R

A

G

Q

I

I

T

T

G

G

A

T

S

T

L

V

A

S

M

V

D

D

G

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G21), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165)
binding cacodylate ion: S142 (= S148), H144 (= H150), K152 (= K158), Y155 (= Y161), W187 (= W193), W233 (= W263)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (= T19), S14 (= S20), G15 (= G21), I16 (= I22), N34 (≠ H40), G35 (= G41), F36 (≠ L42), A62 (= A68), D63 (= D69), L64 (= L70), S65 (≠ R71), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ I119), I140 (= I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (= W193), V188 (= V194), T190 (= T196)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
39% identity, 98% coverage: 6:266/266 of query aligns to 3:261/261 of 6zzsD

query
sites
6zzsD

R

K

S

L

L

L

E

D

G

G

K

K

V

V

G

A

L

F

I

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

Q

K

V

K

L

F

A

A

E

Q

Q

E

G

G

C

A

N

K

L

V

I

V

L

I

H

S

G
x
D

L
x
M

L

N

P

A

E

E

D

-

E

K

G

C

Q

Q

S

E

M

T

A

A

A

N

D

S

F

L

A

K

A

E

Q

Q

Y

-

R

G

I

F

R

D

T

A

F

L

F

S

S

A

N

P

A
x
C

D
|
D

L
x
V

R

T

Q

D

P

E

E

D

S

A

I

Y

H

K

R

Q

F

A

M

I

A

E

E

L

G

T

T

Q

K

K

A

T

L

F

G

G

S

T

I

V

D

D

I

I

L

L

I

I

N

N

N
|
N

A
|
A

G
|
G

I
x
F

Q
|
Q

H

H

T

V

D

A

S

P

V

I

A

E

S

E

F

F

P

P

I

T

E

A

K

V

W

F

N

Q

D

K

I

L

I

V

A

Q

I
x
V

N

M

L

L

S

T

S

G

A

A

F

F

H

I

T

G

M

I

Q

K

Q

H

A

V

V

L

P

P

A

I

M

M

A

K

Q

A

K

Q

R

K

W

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

V

I

H
x
N

G

G

L

L

V

I

A

G

S

F

V

A

N

G

K
|
K

A

A

A

G

Y
|
Y

C

N

A

S

A

A

K
|
K

H

H

G

G

I

V

V

I

G

G

L

L

T

T

K

K

V

V

V

A

A

A

I

L

E

E

C

C

A

A

E

R

Q

D

G

G

I

I

T

T

V

V

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W
x
Y

V
|
V

D

D

T
|
T

P

P

L
|
L

I
x
V

N

R

K

G

Q
|
Q

I

I

E

A

A

D

V

L

A

A

N

K

T

T

K

R

G

N

L

V

D

S

Y

L

H

D

E

S

A

A

R

L

Y

E

Q

D

L

V

V

I

T

L

A

A

K

M

Q

V

P

P

L

Q

P

K

E

R

M

L

L

L

D

S

P

V

R

E

Q

E

I

I

G

A

E

D

F

Y

A

A

L

I

F

F

L

L

C

A

G

S

D

S

A

K

A

A

R

G

G

G

I

V

T

T

G

G

A

Q

S

A

L

V

A

V

M

M

D

D

G

G

W

Y

T

T

A

A

Q

Q

active site: G18 (= G21), S143 (= S148), Y156 (= Y161)
binding nicotinamide-adenine-dinucleotide: G14 (= G17), S17 (= S20), G18 (= G21), I19 (= I22), D38 (≠ G41), M39 (≠ L42), C63 (≠ A68), D64 (= D69), V65 (≠ L70), N91 (= N96), A92 (= A97), G93 (= G98), F94 (≠ I99), V114 (≠ I119), M141 (≠ I146), A142 (= A147), S143 (= S148), Y156 (= Y161), K160 (= K165), P186 (= P191), G187 (= G192), Y188 (≠ W193), V189 (= V194), T191 (= T196), L193 (= L198), V194 (≠ I199)
binding 3-oxidanylidenepentanoic acid: Q95 (= Q100), S143 (= S148), N145 (≠ H150), K153 (= K158), Y156 (= Y161), L193 (= L198), Q197 (= Q202)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
39% identity, 98% coverage: 6:266/266 of query aligns to 2:260/260 of 6zzqA

query
sites
6zzqA

R

K

S

L

L

L

E

D

G

G

K

K

V

V

G

A

L

F

I

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

Q

K

V

K

L

F

A

A

E

Q

Q

E

G

G

C

A

N

K

L

V

I

V

L

I

H

S

G
x
D

L
x
M

L

N

P

A

E

E

D

-

E

K

G

C

Q

Q

S

E

M

T

A

A

A

N

D

S

F

L

A

K

A

E

Q

Q

Y

-

R

G

I

F

R

D

T

A

F

L

F

S

S

A

N

P

A
x
C

D
|
D

L
x
V

R

T

Q

D

P

E

E

D

S

A

I

Y

H

K

R

Q

F

A

M

I

A

E

E

L

G

T

T

Q

K

K

A

T

L

F

G

G

S

T

I

V

D

D

I

I

L

L

I

I

N

N

N
|
N

A
|
A

G
|
G

I
x
F

Q
|
Q

H

H

T

V

D

A

S

P

V

I

A

E

S

E

F

F

P

P

I

T

E

A

K

V

W

F

N

Q

D
x
K

I

L

I

V

A

Q

I
x
V

N

M

L

L

S

T

S

G

A

A

F

F

H

I

T

G

M

I

Q

K

Q

H

A

V

V

L

P

P

A

I

M

M

A

K

Q

A

K

Q

R

K

W

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

V

I

H
x
N

G

G

L

L

V

I

A

G

S

F

V

A

N

G

K
|
K

A

A

A

G

Y
|
Y

C

N

A

S

A

A

K
|
K

H

H

G

G

I

V

V

I

G

G

L

L

T

T

K

K

V

V

V

A

A

A

I

L

E

E

C

C

A

A

E

R

Q

D

G

G

I

I

T

T

V

V

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W
x
Y

V
|
V

D

D

T
|
T

P

P

L
|
L

I
x
V

N

R

K

G

Q
|
Q

I

I

E

A

A

D

V

L

A

A

N

K

T

T

K

R

G

N

L

V

D

S

Y

L

H

D

E

S

A

A

R

L

Y

E

Q

D

L

V

V

I

T

L

A

A

K

M

Q

V

P

P

L

Q

P

K

E

R

M

L

L

L

D

S

P

V

R

E

Q

E

I

I

G

A

E

D

F

Y

A

A

L

I

F

F

L

L

C

A

G

S

D

S

A

K

A

A

R

G

G

G

I

V

T

T

G

G

A

Q

S

A

L

V

A

V

M

M

D

D

G

G

W

Y

T

T

A

A

Q

Q

active site: G17 (= G21), S142 (= S148), Y155 (= Y161)
binding acetoacetic acid: F93 (≠ I99), Q94 (= Q100), K109 (≠ D115), V113 (≠ I119), S142 (= S148), N144 (≠ H150), K152 (= K158), Y155 (= Y161), Y187 (≠ W193), Q196 (= Q202)
binding nicotinamide-adenine-dinucleotide: G13 (= G17), S16 (= S20), G17 (= G21), I18 (= I22), D37 (≠ G41), M38 (≠ L42), C62 (≠ A68), D63 (= D69), V64 (≠ L70), N90 (= N96), A91 (= A97), G92 (= G98), V113 (≠ I119), M140 (≠ I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), Y187 (≠ W193), V188 (= V194), T190 (= T196), L192 (= L198), V193 (≠ I199)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
36% identity, 97% coverage: 7:263/266 of query aligns to 5:244/247 of 3op4A

query
sites
3op4A

S

N

L

L

E

E

G

G

K

K

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

K

A

A

T

I

A

A

Q

E

V

L

L

L

A

A

E

E

Q

R

G

G

C

A

N

K

L

V

I

I

L

-

H

-

G

G

L

T

L
x
A

P
x
T

E

S

D

E

E

S

G

G

Q

A

S

Q

M

A

A

I

A

S

D

D

F

Y

A

L

A

G

Q

D

Y

N

R

G

I

K

R

G

T

M

F

A

F
x
L

S

-

N

-

A

-

D
x
N

L
x
V

R

T

Q

N

P

P

E

E

S

S

I

I

H

E

R

A

F

V

M

L

A

K

E

A

G

I

T

T

K

D

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q

T

H

R

T

D

D

N

S

L

V

L

A

M

S

R

F

M

P

K

I

E

E

E

K

E

W

W

N

S

D

D

I

I

I

M

A

E

I
x
T

N

N

L

L

S

T

S

S

A

I

F

F

H

R

T

L

M

S

Q

K

Q

A

A

V

V

L

P

R

A

G

M

M

A

M

Q

K

K

K

R

R

W

Q

G

G

R

R

I

I

N

N

I
x
V

A
x
G

S
|
S

V

V

H

V

G

G

L

T

V

M

A

G

S

N

V

A

N

G

K

Q

A

A

A

N

Y
|
Y

C

A

A

A

K
|
K

H

A

G

G

I

V

V

I

G

G

L

F

T

T

K

K

V

S

V

M

A

A

I

R

E

E

C

V

A

A

E

S

Q

R

G

G

I

V

T

T

V

V

N

N

A

T

I

V

C

A

P
|
P

G
|
G

W
x
F

V
x
I

D

E

T
|
T

P
x
D

L
x
M

I

-

N

-

K

-

Q

-

I

-

E

-

A

-

V

-

A

-

N

-

T

T

K

K

G

A

L

L

D

N

Y

D

H

E

E

Q

A

R

R

T

Y

A

Q

T

L

L

V

-

T

-

A

A

K

Q

Q

V

P

P

L

A

P

G

E

R

M

L

L

G

D

D

P

P

R

R

Q

E

I

I

G

A

E

S

F

A

A

V

L

A

F

F

L

L

C

A

G

S

D

P

A

E

A

A

R

A

G

Y

I

I

T

T

G

G

A

E

S

T

L

L

A

H

M

V

D

N

G

G

W

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), S17 (≠ T19), R18 (≠ S20), G19 (= G21), I20 (= I22), A39 (≠ L43), T40 (≠ P44), L61 (≠ F65), N62 (≠ D69), V63 (≠ L70), N89 (= N96), A90 (= A97), G91 (= G98), I92 (= I99), T112 (≠ I119), V139 (≠ I146), G140 (≠ A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), F186 (≠ W193), I187 (≠ V194), T189 (= T196), D190 (≠ P197), M191 (≠ L198)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
35% identity, 97% coverage: 7:263/266 of query aligns to 5:240/243 of 4i08A

query
sites
4i08A

S

N

L

L

E

E

G

G

K

K

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

K

A

A

T

I

A

A

Q

E

V

L

L

L

A

A

E

E

Q

R

G

G

C

A

N

K

L

V

I

I

L

-

H

-

G

G

L

T

L
x
A

P
x
T

E

S

D

E

E

S

G

G

Q

A

S

Q

M

A

A

I

A

S

D

D

F

Y

A

L

A

G

Q

D

Y

N

R

G

I

K

R

G

T

M

F

A

F
x
L

S

-

N

-

A

-

D
x
N

L
x
V

R

T

Q

N

P

P

E

E

S

S

I

I

H

E

R

A

F

V

M

L

A

K

E

A

G

I

T

T

K

D

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q

T

H

R

T

D

D

N

S

L

V

L

A

M

S

R

F

M

P

K

I

E

E

E

K

E

W

W

N

S

D

D

I

I

I

M

A

E

I
x
T

N
|
N

L

L

S

T

S

S

A

I

F

F

H

R

T

L

M

S

Q

K

Q

A

A

V

V

L

P

R

A

G

M

M

A

M

Q

K

K

K

R

R

W

Q

G

G

R

R

I

I

N

N

I
x
V

A
x
G

S
|
S

V

V

H

V

G

G

L

T

V

M

A

G

S

N

V

A

N

G

K
x
Q

A

A

A

N

Y
|
Y

C

A

A

A

K
|
K

H

A

G

G

I

V

V

I

G

G

L

F

T

T

K

K

V

S

V

M

A

A

I

R

E

E

C

V

A

A

E

S

Q

R

G

G

I

V

T

T

V

V

N

N

A

T

I

V

C

A

P
|
P

G
|
G

W
x
F

V
x
I

D

E

T
|
T

P

-

L

-

I

-

N

-

K

-

Q

-

I

-

E

-

A

-

V

-

A

-

N

-

T

-

K

-

G

-

L

-

D

D

Y

M

H

N

E

D

A

E

R

Q

Y

R

Q

T

L

A

V

T

T

L

A

A

K

Q

Q

V

P

P

L

A

P

G

E

R

M

L

L

G

D

D

P

P

R

R

Q

E

I

I

G

A

E

S

F

A

A

V

L

A

F

F

L

L

C

A

G

S

D

P

A

E

A

A

R

A

G

Y

I

I

T

T

G

G

A

E

S

T

L

L

A

H

M

V

D

N

G

G

W

M

active site: G19 (= G21), N113 (= N120), S141 (= S148), Q151 (≠ K158), Y154 (= Y161), K158 (= K165)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), S17 (≠ T19), R18 (≠ S20), G19 (= G21), I20 (= I22), A39 (≠ L43), T40 (≠ P44), L61 (≠ F65), N62 (≠ D69), V63 (≠ L70), N89 (= N96), A90 (= A97), G91 (= G98), I92 (= I99), T112 (≠ I119), V139 (≠ I146), G140 (≠ A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), F186 (≠ W193), I187 (≠ V194), T189 (= T196)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
33% identity, 97% coverage: 8:265/266 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

E

D

G

N

K

K

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
x
G

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

V

A

A

Q

H

V

S

L

Y

A

A

E

K

Q

E

G

G

C

A

N

K

L

V

I

I

L

V

H

S

G
x
D

L
x
I

L

-

P

N

E

E

D

D

E

H

G

G

Q

N

S

K

M

A

A

V

A

E

D

D

F

I

A

K

A

A

Q

Q

Y

G

R

G

I

E

R

A

T

S

F

F

F

V

S

-

N

K

A
|
A

D
|
D

L
x
T

R

S

Q

N

P

P

E

E

S

E

I

V

H

E

R

A

F

L

M

V

A

K

E

R

G

T

T

V

K

E

A

I

L

Y

G

G

S

R

I

L

D

D

I

I

L

A

I

C

N

N

N
|
N

A
|
A

G
|
G

I

I

Q

G

H

G

T

E

D

Q

S

A

V

L

A

A

-

G

S

D

F

Y

P

G

I

L

E

D

K

S

W

W

N

R

D

K

I

V

I

L

A

S

I

I

N

N

L

L

S

D

S

G

A

V

F

F

H

Y

T

G

M

C

Q

K

Q

Y

A

E

V

L

P

E

A

Q

M

M

A

E

Q

K

K

N

R

G

W

G

G

G

R

V

I

I

I

V

N

N

I
x
M

A
|
A

S
|
S

V

I

H

H

G

G

L

I

V

V

A

A

S

A

V

P

N

L

K

S

A

S

A

A

Y
|
Y

C

T

A

S

A

A

K
|
K

H

H

G

A

I

V

V

V

G

G

L

L

T

T

K

K

V

N

V

I

A

G

I

A

E

E

C

Y

A

G

E

Q

Q

K

G

N

I

I

T

R

V

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

W
x
Y

V
x
I

D

E

T
|
T

P

P

L
|
L

I

L

N

E

K

S

Q

L

I

T

E

K

A

-

V

-

A

-

N

-

T

-

K

-

G

-

L

-

D

-

Y

-

H

-

E

E

A

M

R

K

Y

E

Q

A

L

L

V

I

T

S

A

-

K

K

Q

H

P

P

L

M

P

G

E

R

M

L

L

G

D

K

P

P

R

E

Q

E

I

V

G

A

E

E

F

L

A

V

L

L

F

F

L

L

C

S

G

S

D

E

A

K

A

S

R

S

G

F

I

M

T

T

G

G

A

G

S

Y

L

Y

A

L

M

V

D

D

G

G

W

Y

T

T

A

A

active site: G16 (= G21), S142 (= S148), Y155 (= Y161), K159 (= K165)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), G14 (≠ T19), S15 (= S20), G16 (= G21), I17 (= I22), D36 (≠ G41), I37 (≠ L42), A61 (= A68), D62 (= D69), T63 (≠ L70), N89 (= N96), A90 (= A97), G91 (= G98), M140 (≠ I146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), A186 (≠ G192), Y187 (≠ W193), I188 (≠ V194), T190 (= T196), L192 (= L198)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
34% identity, 97% coverage: 7:263/266 of query aligns to 2:245/247 of 4jroC

query
sites
4jroC

S

T

L

L

E

Q

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G
|
G

S

G

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

R

A

D