SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO353_21770 FitnessBrowser__pseudo3_N2E3:AO353_21770 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)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
81% identity, 99% coverage: 3:257/257 of query aligns to 1:255/255 of 2q2qD

query
sites
2q2qD

T

T

L

L

S

K

G

G

K

K

T

T

A

A

L

L

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

G

I

I

A

A

L

Q

S

V

L

L

A

A

K

R

A

A

G

G

A

A

N

N

L

I

I

V

L

L

N

N

G

G

F
|
F

G

G

D

D

A

P

S

A

T

P

V

A

I

L

A

A

Q

E

V

I

Q

A

Q

R

F

H

G

G

G

V

K

K

V

A

G

V

H

H

H

H

P

P

A

A

D
|
D

V
x
L

S

S

D

D

P

V

A

A

Q

Q

I

I

A

E

E

A

M

L

I

F

A

A

Y

L

A

A

E

E

R

R

E

E

F

F

G

G

G

G

V

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

Q

Q

H

H

V

V

S

A

A

P

V

V

E

E

D

Q

F

F

P

P

V

L

E

E

R

S

W

W

D

D

S

K

I

I

I

I

A

A

I
x
L

N

N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

R

L

L

S

A

L

L

P

P

G

G

M

M

R

R

A

A

K

R

G

N

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

V

V

H

H

G

G

Q

L

V

V

G

G

S

S

V

T

G

G

K

K

A

A

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

V

V

G

G

L

L

E

E

T

T

A

A

T

T

S

S

N

N

V

V

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

L

T
|
T

P

P

L
|
L

V
|
V

Q

Q

K

K

Q

Q

I

I

D

D

D

D

R
|
R

A

A

A

A

A

N

G

G

I

G

D

D

P

P

Q

L

Q

Q

A

A

Q

Q

H

H

D

D

L

L

L

L

A

A

E

E

K

K

Q

Q

P

P

S

S

L

L

E

A

F

F

V

V

T

T

P

P

S

E

Q

H

L

L

G

G

E

E

L

L

V

V

L

L

F

F

L

L

C

C

S

S

E

E

A

A

G

G

S

S

Q

Q

V

V

R

R

G

G

A

A

A

A

W

W

N

N

I

V

D

D

G

G

G

G

W

W

L

L

A

A

Q

Q

active site: G15 (= G17), S138 (= S140), Y151 (= Y153), K155 (= K157), R196 (= R198)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (= T15), S14 (= S16), G15 (= G17), I16 (= I18), F36 (= F38), D59 (= D61), L60 (≠ V62), N86 (= N88), G88 (= G90), L109 (≠ I111), I136 (= I138), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), W183 (= W185), V184 (= V186), T186 (= T188), L188 (= L190), V189 (= V191)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
71% identity, 99% coverage: 3:257/257 of query aligns to 1:255/255 of 5yssB

query
sites
5yssB

T

N

L

L

S

T

G

G

K

K

T

T

A

A

L

L

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

G

I

I

A

A

L

Q

S

V

L

L

A

A

K

Q

A

A

G

G

A

A

N

T

L

L

I

I

L

L

N

N

G
|
G

F
|
F

G

G

D

D

A

V

S

D

T

A

V

A

I

K

A

D

Q

A

V

V

Q

A

Q

Q

F

Y

G

G

G

K

K

T

V

P

G

G

H

Y

H

H

P

G

A

A

D

D

V
x
L

S

S

D

D

P

E

A

A

Q

Q

I

I

A

A

E

D

M

M

I

M

A

R

Y

Y

A

A

E

E

R

S

E

E

F

F

G

G

G

G

V

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A

A

G
|
G

I
|
I

Q

Q

H

H

V

V

S

S

A

P

V

I

E

E

D

T

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

I

I

I

I

A

A

I

I

N

N

L

L

S

S

S

S

V

V

F

F

H

H

S

T

T

T

R

R

L

L

S

A

L

L

P

P

G

G

M

M

R

R

A

A

K

R

G

N

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A
|
A

S

S

V

V

H

H

G

G

Q

L

V

V

G

A

S

S

V

K

G

E

K

K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

T

V

I

G

A

L

L

E

E

T

T

A

A

T

Q

S

T

N

E

V

I

T

T

C

C

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W

W

V
|
V

L

L

T
|
T

P

P

L

L

V

V

Q

Q

K

Q

Q

Q

I

I

D

D

D

K

R

R

A

I

A

A

A

E

G

G

I

A

D

E

P

P

Q

E

Q

A

A

A

Q

R

H

D

D

A

L

L

L

L

A

A

E

E

K

K

Q

Q

P

P

S

S

L

R

E

E

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

N

L

L

V

A

L

L

F

F

L

L

C

C

S

S

E

D

A

G

G

A

S

A

Q

Q

V

V

R

R

G

G

A

V

A

A

W

W

N

N

I

M

D

D

G

G

G

G

W

W

L

V

A

A

Q

Q

binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (= T15), S14 (= S16), G15 (= G17), I16 (= I18), G35 (= G37), F36 (= F38), L60 (≠ V62), N86 (= N88), G88 (= G90), I89 (= I91), A137 (= A139), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), V184 (= V186), T186 (= T188)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
56% identity, 99% coverage: 4:257/257 of query aligns to 2:260/260 of 5b4tA

query
sites
5b4tA

L

L

S

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S

S

G
|
G

I
|
I

G

G

L

L

G

A

I

M

A

A

L

T

S

E

L

L

A

A

K

K

A

A

G

G

A

A

N

D

L

V

I

V

L

I

N

N

G

G

F
|
F

G

G

D

Q

A

P

S

E

T

D

V

I

I

E

A

R

Q

E

V

R

Q

S

-

T

-

L

-

E

-

S

Q

K

F

F

G

G

G

V

K

K

V

A

G

Y

H

Y

H

L

P

N

A

A

D
|
D

V
x
L

S

S

D

D

P

A

A

Q

Q

A

I

T

A

R

E

D

M

F

I

I

A

A

Y

K

A

A

E

A

R

E

E

A

F

L

G

G

G

G

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

Q
|
Q

H

H

V

T

S

A

A

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

I

I

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

A

L

A

S

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

V

A

H
|
H

G

G

Q

L

V

V

G

A

S

S

V

V

G

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

V

T

G

A

L

L

E

E

T

N

A

A

T

G

S

K

N

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

I

I

D

E

D

A

-
x
I

R

S

A

Q

A

Q

A

K

G

G

I

I

D

D

P

I

Q

E

Q

A

A

A

Q

A

H

R

D

E

L

L

L

L

A

A

E

E

K

K

Q

Q

P

P

S

S

L

L

E

Q

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

G

L

A

V

A

L

V

F

F

L

L

C

S

S

S

E

A

A

A

G

A

S

D

Q

Q

V

M

R

T

G

G

A

T

A

T

W

L

N

S

I

L

D

D

G

G

G

G

W

W

L

T

A

A

Q

R

active site: G15 (= G17), N114 (= N112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (vs. gap)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q92), S142 (= S140), H144 (= H142), K152 (= K150), Y155 (= Y153), W187 (= W185), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (= T15), G15 (= G17), I16 (= I18), F36 (= F38), D63 (= D61), L64 (≠ V62), N90 (= N88), G92 (= G90), L113 (≠ I111), I140 (= I138), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (= W185), 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
56% identity, 99% coverage: 4:257/257 of query aligns to 2:260/260 of 3w8dA

query
sites
3w8dA

L

L

S

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

A

I

M

A

A

L

T

S

E

L

L

A

A

K

K

A

A

G

G

A

A

N

D

L

V

I

V

L

I

N

N

G

G

F
|
F

G

G

D

Q

A

P

S

E

T

D

V

I

I

E

A

R

Q

E

V

R

Q

S

-

T

-

L

-

E

-

S

Q

K

F

F

G

G

G

V

K

K

V

A

G

Y

H

Y

H

L

P

N

A
|
A

D
|
D

V
x
L

S

S

D

D

P

A

A

Q

Q

A

I

T

A

R

E

D

M

F

I

I

A

A

Y

K

A

A

E

A

R

E

E

A

F

L

G

G

G

G

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

V

T

S

A

A

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

I

I

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

A

L

A

S

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

Q

L

V

V

G

A

S

S

V

V

G

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

V

T

G

A

L

L

E

E

T

N

A

A

T

G

S

K

N

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

I

I

D

E

D

A

-
x
I

R

S

A

Q

A

Q

A

K

G

G

I

I

D

D

P

I

Q

E

Q

A

A

A

Q

A

H

R

D

E

L

L

L

L

A

A

E

E

K

K

Q

Q

P

P

S

S

L

L

E

Q

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

G

L

A

V

A

L

V

F

F

L

L

C

S

S

S

E

A

A

A

G

A

S

D

Q

Q

V

M

R

T

G

G

A

T

A

T

W

L

N

S

I

L

D

D

G

G

G

G

W
|
W

L

T

A

A

Q

R

active site: G15 (= G17), N114 (= N112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (vs. gap)
binding methylmalonic acid: Q94 (= Q92), S142 (= S140), H144 (= H142), K152 (= K150), Y155 (= Y153), W187 (= W185), Q196 (= Q194), W257 (= W254)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (= T15), S14 (= S16), G15 (= G17), I16 (= I18), F36 (= F38), 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 (= W185), 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)
56% identity, 99% coverage: 4:257/257 of query aligns to 2:260/260 of 3vdrA

query
sites
3vdrA

L

L

S

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S

S

G
|
G

I
|
I

G

G

L

L

G

A

I

M

A

A

L

T

S

E

L

L

A

A

K

K

A

A

G

G

A

A

N

D

L

V

I

V

L

I

N

N

G

G

F
|
F

G

G

D

Q

A

P

S

E

T

D

V

I

I

E

A

R

Q

E

V

R

Q

S

-

T

-

L

-

E

-

S

Q

K

F

F

G

G

G

V

K

K

V

A

G

Y

H

Y

H

L

P

N

A

A

D
|
D

V
x
L

S

S

D

D

P

A

A

Q

Q

A

I

T

A

R

E

D

M

F

I

I

A

A

Y

K

A

A

E

A

R

E

E

A

F

L

G

G

G

G

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

V

T

S

A

A

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

I

I

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

A

L

A

S

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

Q

L

V

V

G

A

S

S

V

V

G

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

V

T

G

A

L

L

E

E

T

N

A

A

T

G

S

K

N

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P

P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

I

I

D

E

D

A

-
x
I

R

S

A

Q

A

Q

A

K

G

G

I

I

D

D

P

I

Q

E

Q

A

A

A

Q

A

H

R

D

E

L

L

L

L

A

A

E

E

K

K

Q

Q

P

P

S

S

L

L

E

Q

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

G

L

A

V

A

L

V

F

F

L

L

C

S

S

S

E

A

A

A

G

A

S

D

Q

Q

V

M

R

T

G

G

A

T

A

T

W

L

N

S

I

L

D

D

G

G

G

G

W
|
W

L

T

A

A

Q

R

active site: G15 (= G17), N114 (= N112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (vs. gap)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q92), H144 (= H142), K152 (= K150), Y155 (= Y153), W187 (= W185), Q196 (= Q194), W257 (= W254)
binding acetoacetic acid: Q94 (= Q92), H144 (= H142), K152 (= K150), Y155 (= Y153), W187 (= W185), Q196 (= Q194), W257 (= W254)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (= T15), I16 (= I18), F36 (= F38), 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 (= G13), T13 (= T15), I16 (= I18), F36 (= F38), 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)
56% identity, 99% coverage: 4:257/257 of query aligns to 2:260/260 of 3vdqA

query
sites
3vdqA

L

L

S

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T

T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

A

I

M

A

A

L

T

S

E

L

L

A

A

K

K

A

A

G

G

A

A

N

D

L

V

I

V

L

I

N

N

G

G

F
|
F

G

G

D

Q

A

P

S

E

T

D

V

I

I

E

A

R

Q

E

V

R

Q

S

-

T

-

L

-

E

-

S

Q

K

F

F

G

G

G

V

K

K

V

A

G

Y

H

Y

H

L

P

N

A

A

D
|
D

V
x
L

S

S

D

D

P

A

A

Q

Q

A

I

T

A

R

E

D

M

F

I

I

A

A

Y

K

A

A

E

A

R

E

E

A

F

L

G

G

G

G

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

V

T

S

A

A

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

I

I

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

A

L

A

S

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

V

A

H
|
H

G

G

Q

L

V

V

G

A

S

S

V

V

G

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

V

V

T

G

A

L

L

E

E

T

N

A

A

T

G

S

K

N

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

I

I

D

E

D

A

-
x
I

R

S

A

Q

A

Q

A

K

G

G

I

I

D

D

P

I

Q

E

Q

A

A

A

Q

A

H

R

D

E

L

L

L

L

A

A

E

E

K

K

Q

Q

P

P

S

S

L

L

E

Q

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

G

L

A

V

A

L

V

F

F

L

L

C

S

S

S

E

A

A

A

G

A

S

D

Q

Q

V

M

R

T

G

G

A

T

A

T

W

L

N

S

I

L

D

D

G

G

G

G

W

W

L

T

A

A

Q

R

active site: G15 (= G17), N114 (= N112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (vs. gap)
binding acetate ion: Q94 (= Q92), H144 (= H142), K152 (= K150), W187 (= W185), L192 (= L190), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), S14 (= S16), I16 (= I18), F36 (= F38), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ I111), I140 (= I138), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (= W185), V188 (= V186), T190 (= T188), L192 (= L190), V193 (= V191)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
56% identity, 99% coverage: 4:257/257 of query aligns to 2:260/260 of 2ztlA

query
sites
2ztlA

L

L

S

K

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G
|
G

S

S

T

T

S

S

G
|
G

I
|
I

G

G

L

L

G

G

I

I

A

A

L

T

S

A

L

L

A

A

K

A

A

Q

G

G

A

A

N

D

L

I

I

V

L

L

N

N

G

G

F
|
F

G

G

D

D

A

A

S

A

T

E

V

-

I

I

A

E

Q

K

V

V

Q

R

-

A

-

G

-

L

-

A

-

A

Q

Q

F

H

G

G

G

V

K

K

V

V

G

L

H

Y

H

D

P

G

A

A

D

D

V
x
L

S

S

D

K

P

G

A

E

Q

A

I

V

A

R

E

G

M

L

I

V

A

D

Y

N

A

A

E

V

R

R

E

Q

F

M

G

G

G

R

V

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

V

T

S

A

A

L

V

I

E

E

D

D

F

F

P

P

V

T

E

E

R

K

W

W

D

D

S

A

I

I

I

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

A

L

A

S

A

L

L

P

P

G

H

M

M

R

K

A

K

K

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

Q

L

V

V

G

A

S

S

V

A

G

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

K

K

V

V

V

T

G

A

L

L

E

E

T

T

A

A

T

G

S

Q

N

G

V

I

T

T

C

A

N

N

A

A

I

I

C

C

P
|
P

G

G

W
|
W

V
|
V

L

R

T
|
T

P

P

L

L

V
|
V

Q

E

K

K

Q
|
Q

I

I

D

S

D

A

R
x
L

A

A

A

E

A

K

-

N

G

G

I

V

D

D

P

Q

Q

E

Q

T

A

A

Q

A

H

R

D

E

L

L

L

L

A

S

E

E

K

K

Q

Q

P

P

S

S

L

L

E

Q

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

G

L

T

V

A

L

V

F

F

L

L

C

A

S

S

E

D

A

A

G

A

S

A

Q

Q

V

I

R

T

G

G

A

T

A

T

W

V

N

S

I

V

D

D

G

G

G

G

W

W

L

T

A

A

Q

R

active site: G15 (= G17), N114 (= N112), S142 (= S140), Y155 (= Y153), K159 (= K157), L200 (≠ R198)
binding (3s)-3-hydroxybutanoic acid: Q94 (= Q92), S142 (= S140), H144 (= H142), K152 (= K150), Y155 (= Y153), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), G15 (= G17), I16 (= I18), F36 (= F38), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ I111), Y155 (= Y153), K159 (= K157), P185 (= P183), W187 (= W185), V188 (= V186), T190 (= T188), V193 (= V191)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
56% identity, 99% coverage: 4:257/257 of query aligns to 2:260/260 of 1wmbA

query
sites
1wmbA

L

L

S

K

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G

G

S

S

T

T

S

S

G
|
G

I

I

G

G

L

L

G

G

I

I

A

A

L

T

S

A

L

L

A

A

K

A

A

Q

G

G

A

A

N

D

L

I

I

V

L

L

N

N

G

G

F

F

G

G

D

D

A

A

S

A

T

E

V

-

I

I

A

E

Q

K

V

V

Q

R

-

A

-

G

-

L

-

A

-

A

Q

Q

F

H

G

G

G

V

K

K

V

V

G

L

H

Y

H

D

P

G

A

A

D

D

V

L

S

S

D

K

P

G

A

E

Q

A

I

V

A

R

E

G

M

L

I

V

A

D

Y

N

A

A

E

V

R

R

E

Q

F

M

G

G

G

R

V

I

D

D

I

I

L

L

V

V

N

N

N

N

A

A

G

G

I

I

Q

Q

H

H

V

T

S

A

A

L

V

I

E

E

D

D

F

F

P

P

V

T

E

E

R

K

W

W

D

D

S

A

I

I

I

L

A

A

I

L

N
|
N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

A

L

A

S

A

L

L

P

P

G

H

M

M

R

K

A

K

K

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

V

A

H

H

G

G

Q

L

V

V

G

A

S

S

V

A

G

N

K

K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

K

K

V

V

V

T

G

A

L

L

E

E

T

T

A

A

T

G

S

Q

N

G

V

I

T

T

C

A

N

N

A

A

I

I

C

C

P

P

G

G

W

W

V

V

L

R

T

T

P

P

L

L

V

V

Q

E

K

K

Q

Q

I

I

D

S

D

A

R
x
L

A

A

A

E

A

K

-

N

G

G

I

V

D

D

P

Q

Q

E

Q

T

A

A

Q

A

H

R

D

E

L

L

L

L

A

S

E

E

K

K

Q

Q

P

P

S

S

L

L

E

Q

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

G

L

T

V

A

L

V

F

F

L

L

C

A

S

S

E

D

A

A

G

A

S

A

Q

Q

V

I

R

T

G

G

A

T

A

T

W

V

N

S

I

V

D

D

G

G

G

G

W
|
W

L

T

A

A

Q

R

active site: G15 (= G17), N114 (= N112), S142 (= S140), Y155 (= Y153), K159 (= K157), L200 (≠ R198)
binding cacodylate ion: S142 (= S140), Y155 (= Y153), W257 (= W254)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
53% identity, 99% coverage: 4:257/257 of query aligns to 2:236/236 of 1x1tA

query
sites
1x1tA

L

L

S

K

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

G

I

I

A

A

L

T

S

A

L

L

A

A

K

A

A

Q

G

G

A

A

N

D

L

I

I

V

L

L

N

N

G
|
G

F
|
F

G

G

D

D

A

A

S

A

T

E

V

-

I

I

A

E

Q

K

V

V

Q

R

-

A

-

G

-

L

-

A

-

A

Q

Q

F

H

G

G

G

V

K

K

V

V

G

L

H

Y

H

D

P

G

A

A

D
|
D

V
x
L

S

S

D

K

P

G

A

E

Q

A

I

V

A

R

E

G

M

L

I

V

A

D

Y

N

A

A

E

V

R

R

E

Q

F

M

G

G

G

R

V

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

Q

Q

H

H

V

T

S

A

A

L

V

I

E

E

D

D

F

F

P

P

V

T

E

E

R

K

W

W

D

D

S

A

I

I

I

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

V

V

F

F

H

H

S

G

T

T

R

A

L

A

S

A

L

L

P

P

G

H

M

M

R

K

A

K

K

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

Q

L

V

V

G

A

S

S

V

A

G

N

K

K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

K

K

V

V

V

T

G

A

L

L

E

E

T

T

A

A

T

G

S

Q

N

G

V

I

T

T

C

A

N

N

A

A

I

I

C

C

P
|
P

G

G

W
|
W

V
|
V

L

R

T
|
T

P

-

L

-

V

-

Q

-

K

-

Q

-

I

-

D

-

D

-

R

-

A

-

A

-

A

-

G

-

I

-

D

-

P

-

Q

-

Q

-

A

-

Q

-

H

-

D

-

L

L

L

L

A

S

E

E

K

K

Q

Q

P

P

S

S

L

L

E

Q

F

F

V

V

T

T

P

P

S

E

Q

Q

L

L

G

G

E

G

L

T

V

A

L

V

F

F

L

L

C

A

S

S

E

D

A

A

G

A

S

A

Q

Q

V

I

R

T

G

G

A

T

A

T

W

V

N

S

I

V

D

D

G

G

G

G

W
|
W

L

T

A

A

Q

R

active site: G15 (= G17), N114 (= N112), S142 (= S140), Y155 (= Y153), K159 (= K157)
binding cacodylate ion: S142 (= S140), H144 (= H142), Y155 (= Y153), W187 (= W185), W233 (= W254)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), T13 (= T15), S14 (= S16), G15 (= G17), I16 (= I18), G35 (= G37), F36 (= F38), D63 (= D61), L64 (≠ V62), N90 (= N88), G92 (= G90), L113 (≠ I111), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), W187 (= W185), V188 (= V186), T190 (= T188)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
39% identity, 99% coverage: 4:257/257 of query aligns to 5:261/261 of 6zzsD

query
sites
6zzsD

L

L

S

D

G

G

K

K

T

V

A

A

L

F

V

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

G

E

I

I

A

A

L

K

S

K

L

F

A

A

K

Q

A

E

G

G

A

A

N

K

L

V

I

V

L

I

N

S

G
x
D

F
x
M

G

N

-

A

-

E

D

K

A

C

S

Q

T

E

V

T

I

A

A

N

Q

S

V

L

Q

K

Q

E

F

Q

G

G

G

F

K

D

V

A

G

L

H

S

H

A

P

P

A

C

D
|
D

V
|
V

S

T

D

D

P

E

A

D

Q

A

I

Y

A

K

E

Q

M

A

I

I

A

E

Y

L

A

T

E

Q

R

K

E

T

F

F

G

G

G

T

V

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

Q
|
Q

H

H

V

V

S

A

A

P

V

I

E

E

D

E

F

F

P

P

V

T

E

A

R

V

W

F

D

Q

S

K

I

L

I

V

A

Q

I

V

N

M

L

L

S

T

S

G

V

A

F

F

H

I

S

G

T

I

R

K

L

H

S

V

L

L

P

P

G

I

M

M

R

K

A

A

K

Q

G

K

W

Y

G

G

R

R

I

I

V

I

N

N

I
x
M

A
|
A

S
|
S

V

I

H
x
N

G

G

Q

L

V

I

G

G

S

F

V

A

G

G

K
|
K

A

A

A

G

Y
|
Y

V

N

A

S

A

A

K
|
K

H

H

G

G

V

V

I

I

G

G

L

L

T

T

K

K

V

V

V

A

G

A

L

L

E

E

T

C

A

A

T

R

S

D

N

G

V

I

T

T

C

V

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W

Y

V
|
V

L

D

T
|
T

P

P

L
|
L

V

V

Q

R

K

G

Q
|
Q

I

I

D

A

D

D

R

L

A

A

A

K

A

T

-

R

G

N

I

V

D

S

P

L

Q

D

Q

S

A

A

Q

L

H

E

D

D

L

V

L

I

A

L

E

A

K

M

Q

V

P

P

S

Q

L

K

E

R

F

L

V

L

T

S

P

V

S

E

Q

E

L

I

G

A

E

D

L

Y

V

A

L

I

F

F

L

L

C

A

S

S

E

S

A

K

G

A

S

G

Q

G

V

V

R

T

G

G

A

Q

A

A

W

V

N

V

I

M

D

D

G

G

G

G

W

Y

L

T

A

A

Q

Q

active site: G18 (= G17), S143 (= S140), Y156 (= Y153)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (= S16), I19 (= I18), D38 (≠ G37), M39 (≠ F38), D64 (= D61), V65 (= V62), N91 (= N88), A92 (= A89), G93 (= G90), M141 (≠ I138), 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 (≠ H142), K153 (= K150), Y156 (= Y153), Q197 (= Q194)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
39% identity, 99% coverage: 4:257/257 of query aligns to 4:260/260 of 6zzqA

query
sites
6zzqA

L

L

S

D

G

G

K

K

T

V

A

A

L

F

V

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

G

E

I

I

A

A

L

K

S

K

L

F

A

A

K

Q

A

E

G

G

A

A

N

K

L

V

I

V

L

I

N

S

G
x
D

F
x
M

G

N

-

A

-

E

D

K

A

C

S

Q

T

E

V

T

I

A

A

N

Q

S

V

L

Q

K

Q

E

F

Q

G

G

G

F

K

D

V

A

G

L

H

S

H

A

P

P

A

C

D
|
D

V
|
V

S

T

D

D

P

E

A

D

Q

A

I

Y

A

K

E

Q

M

A

I

I

A

E

Y

L

A

T

E

Q

R

K

E

T

F

F

G

G

G

T

V

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

Q
|
Q

H

H

V

V

S

A

A

P

V

I

E

E

D

E

F

F

P

P

V

T

E

A

R

V

W

F

D

Q

S

K

I

L

I

V

A

Q

I

V

N

M

L

L

S

T

S

G

V

A

F

F

H

I

S

G

T

I

R

K

L

H

S

V

L

L

P

P

G

I

M

M

R

K

A

A

K

Q

G

K

W

Y

G

G

R

R

I

I

V

I

N

N

I
x
M

A
|
A

S
|
S

V

I

H

N

G

G

Q

L

V

I

G

G

S

F

V

A

G

G

K
|
K

A

A

A

G

Y
|
Y

V

N

A

S

A

A

K
|
K

H

H

G

G

V

V

I

I

G

G

L

L

T

T

K

K

V

V

V

A

G

A

L

L

E

E

T

C

A

A

T

R

S

D

N

G

V

I

T

T

C

V

N

N

A

A

I

L

C

C

P

P

G

G

W
x
Y

V
|
V

L

D

T
|
T

P

P

L

L

V

V

Q

R

K

G

Q
|
Q

I

I

D

A

D

D

R

L

A

A

A

K

A

T

-

R

G

N

I

V

D

S

P

L

Q

D

Q

S

A

A

Q

L

H

E

D

D

L

V

L

I

A

L

E

A

K

M

Q

V

P

P

S

Q

L

K

E

R

F

L

V

L

T

S

P

V

S

E

Q

E

L

I

G

A

E

D

L

Y

V

A

L

I

F

F

L

L

C

A

S

S

E

S

A

K

G

A

S

G

Q

G

V

V

R

T

G

G

A

Q

A

A

W

V

N

V

I

M

D

D

G

G

G

G

W

Y

L

T

A

A

Q

Q

active site: G17 (= G17), S142 (= S140), Y155 (= Y153)
binding acetoacetic acid: Q94 (= Q92), S142 (= S140), K152 (= K150), Y155 (= Y153), Q196 (= Q194)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (= S16), G17 (= G17), I18 (= I18), D37 (≠ G37), M38 (≠ F38), D63 (= D61), V64 (= V62), N90 (= N88), A91 (= A89), G92 (= G90), M140 (≠ I138), A141 (= A139), S142 (= S140), Y155 (= Y153), K159 (= K157), Y187 (≠ W185), V188 (= V186), T190 (= T188)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
36% identity, 98% coverage: 4:256/257 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

S

D

G

N

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

S

A

T

G

S
|
S

G
|
G

I
|
I

G

G

L

L

G

A

I

V

A

A

L

H

S

S

L

Y

A

A

K

K

A

E

G

G

A

A

N

K

L

V

I

I

L

V

N

S

G
x
D

F
x
I

G

N

D

E

-

D

-

H

A

G

S

N

T

K

V

A

I

V

A

E

Q

D

V

I

Q

K

Q

A

F

Q

G

G

G

G

K

E

V

A

G

S

H

F

H

V

P

K

A
|
A

D
|
D

V
x
T

S

S

D

N

P

P

A

E

Q

E

I

V

A

E

E

A

M

L

I

V

A

K

Y

R

A

T

E

V

R

E

E

I

F

Y

G

G

G

R

V

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

G

G

I

I

Q

G

H

G

V

E

S

Q

A

A

V

L

E

A

-

G

D

D

F

Y

P

G

V

L

E

D

R

S

W

W

D

R

S

K

I

V

I

L

A

S

I

I

N

N

L

L

S

D

S

G

V

V

F

F

H

Y

S

G

T

C

R

K

L

Y

S

E

L

L

P

E

G

Q

M

M

R

E

A

K

K

N

G

G

W

G

G

G

R

V

I

I

V

V

N

N

I
x
M

A

A

S
|
S

V

I

H

H

G

G

Q

I

V

V

G

A

S

A

V

P

G

L

K

S

A

S

A

A

Y
|
Y

V

T

A

S

A

A

K
|
K

H

H

G

A

V

V

I

V

G

G

L

L

T

T

K

K

V

N

V

I

G

G

L

A

E

E

T

Y

A

G

T

Q

S

K

N

N

V

I

T

R

C

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

W
x
Y

V
x
I

L

E

T

T

P

P

L
|
L

V

L

Q

E

K

S

Q

L

I

T

D

K

D

E

R

M

A

K

A

E

A

A

G

-

I

-

D

-

P

-

Q

-

Q

-

A

-

Q

-

H

-

D

-

L

-

L

L

A

I

E

S

K

K

Q

H

P

P

S

M

L

G

E

R

F

L

V

G

T

K

P

P

S

E

Q

E

L

V

G

A

E

E

L

L

V

V

L

L

F

F

L

L

C

S

S

S

E

E

A

K

G

S

S

S

Q

F

V

M

R

T

G

G

A

G

A

Y

W

Y

N

L

I

V

D

D

G

G

G

G

W

Y

L

T

A

A

active site: G16 (= G17), S142 (= S140), Y155 (= Y153), K159 (= K157)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (= S16), G16 (= G17), I17 (= I18), D36 (≠ G37), I37 (≠ F38), A61 (= A60), D62 (= D61), T63 (≠ V62), N89 (= N88), A90 (= A89), M140 (≠ I138), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), A186 (≠ G184), Y187 (≠ W185), I188 (≠ V186), L192 (= L190)

P16544 Putative ketoacyl reductase; EC 1.3.1.- from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see 2 papers)
36% identity, 98% coverage: 1:253/257 of query aligns to 1:257/261 of P16544

query
sites
P16544

M

M

T

A

T

T

L

Q

S

D

G

S

K

E

T

V

A

A

L

L

V
|
V

T
|
T

G
|
G

S
x
A

T
|
T

S
|
S

G
|
G

I
|
I

G
|
G

L
|
L

G
x
E

I
|
I

A
|
A

L
x
R

S
x
R

L
|
L

A
x
G

K
|
K

A
x
E

G
|
G

A
x
L

N
x
R

L
x
V

I
x
F

L
x
V

N
x
C

G
x
A

F
x
R

G
|
G

D

E

A

E

-

G

-

L

S

R

T

T

V

T

I

L

A

K

Q

E

V

L

Q

R

Q

E

F

A

G

G

G

V

K

E

V

A

G

D

H

G

H

R

P

T

A

C

D
|
D

V

V

S

R

D

S

P

V

A

P

Q

E

I

I

A

E

E

A

M

L

I

V

A

A

Y

A

A

V

E

V

R

E

E

R

F

Y

G

G

G

P

V

V

D

D

I

V

L

L

V

V

N

N

N

N

A

A

G

G

I

R

Q

P

H

G

V

G

S

G

A

A

V

T

E

A

D

E

F

L

P

A

V

D

E

E

R

L

W

W

D

L

S

D

I

V

I

V

A

E

I

T

N

N

L

L

S

T

S

G

V

V

F

F

H

R

S

V

T

T

R

K

-

Q

-

V

L

L

S

K

L

A

P

G

G

G

M

M

R

L

A

E

K

R

G

G

W

T

G

G

R

R

I

I

V

V

N

N

I

I

A

A

S

S

V

T

H

G

G

G

Q

K

V

Q

G

G

S

V

V

V

G

H

K

A

A

A

A

P

Y

Y

V

S

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

K

K

V

A

V

L

G

G

L

L

E

E

T

L

A

A

T

R

S

T

N

G

V

I

T

T

C

V

N

N

A

A

I

V

C

C

P

P

G

G

W

F

V

V

L

E

T

T

P

P

L

M

V

A

Q

A

K

S

Q

V

I

R

D

E

D

H

R

Y

A

S

A

D

A

I

G

W

I

E

D

V

P

S

Q

T

Q

E

A

E

Q

A

H

F

D

D

L

R

L

I

A

T

E

A

K

R

Q

V

P

P

S

I

L

G

E

R

F

Y

V

V

T

Q

P

P

S

S

Q

E

L

V

G

A

E

E

L

M

V

V

L

A

F

Y

L

L

C

I

S

G

E

P

A

G

G

A

S

A

Q

A

V

V

R

T

G

A

A

Q

A

A

W

L

N

N

I

V

D

C

G

G

G

G

11:39 (vs. 11:39, 52% identical) binding
D63 (= D61) binding
K161 (= K157) binding

2rh4B Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
36% identity, 98% coverage: 1:253/257 of query aligns to 8:264/268 of 2rh4B

query
sites
2rh4B

M

M

T

A

T

T

L

Q

S

D

G

S

K

E

T

V

A

A

L

L

V

V

T

T

G
|
G

S

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

E

I

I

A

A

L

R

S

R

L

L

A

G

K

K

A

E

G

G

A

L

N

R

L

V

I

F

L

V

N

C

G
x
A

F
x
R

G
|
G

D

E

A

E

-

G

-

L

S

R

T

T

V

T

I

L

A

K

Q

E

V

L

Q

R

Q

E

F

A

G

G

G

V

K

E

V

A

G

D

H

G

H

R

P

T

A
x
C

D
|
D

V
|
V

S

R

D

S

P

V

A

P

Q

E

I

I

A

E

E

A

M

L

I

V

A

A

Y

A

A

V

E

V

R

E

E

R

F

Y

G

G

G

P

V

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

R

Q

P

H

G

V

G

S

G

A

A

V

T

E

A

D

E

F

L

P

A

V

D

E

E

R

L

W

W

D

L

S

D

I

V

I

V

A

E

I

T

N
|
N

L

L

S

T

S

G

V

V

F

F

H

R

S

V

T

T

R

K

-

Q

-

V

L

L

S

K

L

A

P

G

G

G

M

M

R

L

A

E

K

R

G

G

W

T

G

G

R

R

I

I

V

V

N

N

I

I

A

A

S
|
S

V

T

H

G

G

G

Q

K

V

Q

G

G

S

V

V

V

G

H

K

A

A

A

A

P

Y
|
Y

V

S

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

K

K

V

A

V

L

G

G

L

L

E

E

T

L

A

A

T

R

S

T

N

G

V

I

T

T

C

V

N

N

A

A

I

V

C

C

P

P

G
|
G

W

F

V
|
V

L

E

T
|
T

P

P

L
x
M

V

A

Q

A

K

S

Q

V

I

R

D

E

D

H

R
x
Y

A

S

A

D

A

I

G

W

I

E

D

V

P

S

Q

T

Q

E

A

E

Q

A

H

F

D

D

L

R

L

I

A

T

E

A

K

R

Q

V

P

P

S

I

L

G

E

R

F

Y

V

V

T

Q

P

P

S

S

Q

E

L

V

G

A

E

E

L

M

V

V

L

A

F

Y

L

L

C

I

S

G

E

P

A

G

G

A

S

A

Q

A

V

V

R

T

G

A

A

Q

A

A

W

L

N

N

I

V

D

C

G

G

G

G

active site: G24 (= G17), N121 (= N112), S151 (= S140), Y164 (= Y153), K168 (= K157), Y209 (≠ R198)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G13), T22 (= T15), S23 (= S16), I25 (= I18), A44 (≠ G37), R45 (≠ F38), G46 (= G39), C69 (≠ A60), D70 (= D61), V71 (= V62), N97 (= N88), S151 (= S140), Y164 (= Y153), K168 (= K157), G195 (= G184), V197 (= V186), T199 (= T188), M201 (≠ L190)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 99% coverage: 4:257/257 of query aligns to 3:248/248 of 4urfB

query
sites
4urfB

L

L

S

E

G

G

K

K

T

T

A

A

L

L

V

V

T

T

G
|
G

S

A

T
x
G

S
x
N

G
|
G

I
|
I

G

G

L

R

G

T

I

I

A

A

L

L

S

T

L

Y

A

A

K

A

A

E

G

G

A

A

N

N

L

V

I

V

L

V

N

S

G
x
D

F
x
I

G

S

D

D

-

E

-

W

A

G

S

R

T

E

V

T

I

L

A

A

Q

L

V

I

Q

E

Q

G

F

K

G

G

G

G

K

K

V

A

G

V

H

F

H

Q

P

H

A

A

D
|
D

V
x
T

S

A

D

H

P

P

A

E

Q

D

I

H

A

D

E

E

M

L

I

I

A

A

Y

A

A

A

E

K

R

R

E

A

F

F

G

G

G

R

V

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q

S

-
x
G

H

E

V

F

S

T

A

P

V

T

E

A

D

E

F

T

P

T

V

D

E

A

R

Q

W

W

D

Q

S
x
R

I

V

I

I

A

G

I

I

N

N

L

L

S

S

S

G

V

V

F

F

H

Y

S

G

T

V

R

R

L

A

S

Q

L

I

P

R

G

A

M

M

R

L

A

E

K

T

G

G

W

G

G

G

R

A

I

I

V

V

N

N

I
|
I

A

S

S
|
S

V

I

H

A

G

G

Q

Q

V

I

G

G

S

I

V

E

G

G

K
x
I

A

T

A

P

Y
|
Y

V

T

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

K

K

V

T

V

V

G

A

L

W

E

E

T

Y

A

G

T

S

S

K

N

G

V

I

T
x
R

C

I

N

N

A

S

I

V

C

G

P
|
P

G
x
A

W

F

V
x
I

L

N

T
|
T

P

T

L

L

V

V

Q

Q

K

N

Q

V

I

-

D

-

D

-

R

-

A

-

A

-

A

-

G

-

I

-

D

-

P

P

Q

L

Q

E

A

T

Q

R

H

R

D

Q

L

L

L

-

A

-

E

E

K

Q

Q

M

P

H

S

A

L
|
L

E
x
R

F
x
R

V

L

T

G

P

E

S

T

-

E

Q

E

L

V

G

A

E

N

L

L

V

V

L

A

F

W

L

L

C

S

S
|
S

E

D

A

K

G

A

S

S

Q

F

V

V

R

T

G

G

A

S

A

Y

W

Y

N

A

I

V

D

D

G

G

G

G

W

Y

L

L

A

A

Q

R

active site: G16 (= G17), S142 (= S140), I152 (≠ K150), Y155 (= Y153), K159 (= K157)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (= L220), R211 (≠ E221), R212 (≠ F222)
binding bicarbonate ion: I92 (= I91), G94 (vs. gap), R109 (≠ S107), R179 (≠ T177), S228 (= S237)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ T15), N15 (≠ S16), G16 (= G17), I17 (= I18), D36 (≠ G37), I37 (≠ F38), D62 (= D61), T63 (≠ V62), N89 (= N88), A90 (= A89), G91 (= G90), I140 (= I138), Y155 (= Y153), K159 (= K157), P185 (= P183), A186 (≠ G184), I188 (≠ V186), T190 (= T188)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 99% coverage: 4:257/257 of query aligns to 3:248/248 of 4urfA

query
sites
4urfA

L

L

S

E

G

G

K

K

T

T

A

A

L

L

V

V

T

T

G
|
G

S

A

T
x
G

S
x