SitesBLAST

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
32% identity, 96% coverage: 5:258/264 of query aligns to 2:256/260 of 5b4tA

query
sites
5b4tA

L

L

S

K

N

G

K

K

L

K

A

A

I

V

V

V

S

T

G
|
G

S

S

T
|
T

A

S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

G

E

L

L

A

A

Q

K

A

A

G

G

A

A

E

D

V

V

V

I

N

N

G

G

R
x
F

T

G

Q

Q

A

P

R

E

-

D

V

I

D

E

E

R

A

E

L

R

A

S

T

T

I

L

H

E

A

S

E

K

F

F

P

-

D

G

A

V

R

K

L

A

R

Y

G

Y

F

L

A

N

A

A

D
|
D

L
|
L

-

S

-

D

-

A

-

Q

G

A

T

T

V

R

E

D

G

F

V

I

A

A

K

K

L

A

T

A

V

E

A

A

I

L

P

G

A

G

A

L

D

D

I

I

L

L

V

V

N

N

N
|
N

L

A

G
|
G

I

I

F
x
Q

E

H

A

T

K

A

G

P

F

I

F

E

D

E

I

F

G

P

D

V

D

D

E

K

W

W

Q

N

R

A

F

I

D

A

V
x
L

N
|
N

V

L

M

S

S

A

A

V

V

F

R

H

L

G

S

T

R

A

Y

A

A

L

P

P

K

I

M

M

V

Q

E

K

R

Q

G

G

W

W

G

G

R

R

V

I

L

I

F

N

L
x
I

S

A

S
|
S

E

A

S
x
H

G

G

L

L

Q

V

I

A

P

S

V

V

E

N

M
x
K

V

S

H

A

Y
|
Y

G

V

M

A

T

A

K
|
K

T

H

A

G

L

V

A

G

V

L

S

T

R

K

G

V

L

T

A

A

E

L

T

E

L

N

A

A

G

G

T

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

L

C

P
|
P

G
|
G

P
x
W

T
x
V

R

R

S
x
T

E

P

G
x
L

V
|
V

S

E

D

K

F
x
Q

F

I

G

E

G

A

L
x
I

A

S

Q

Q

Q

K

G

G

V

I

P

D

V

I

E

E

Q

A

L

A

E

A

N

R

D

E

F

L

V

L

A

A

Q

E

H

K

R

Q

P

P

S

S

S

-

L

-

I

-

K

L

R

Q

L

F

A

V

T

T

V

P

E

E

E

Q

V

L

A

G

N

G

M

A

V

A

V

V

Y

F

L

L

A

S

S

S

Q

A

A

A

S

D

A

Q

T

M

T

T

G

G

A

T

S

T

V

L

R

S

V

L

D

D

G

G

active site: G15 (= G18), N114 (= N113), S142 (= S141), Y155 (= Y154), K159 (= K158), I200 (≠ L199)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ F93), S142 (= S141), H144 (≠ S143), K152 (≠ M151), Y155 (= Y154), W187 (≠ P186), Q196 (≠ F195)
binding nicotinamide-adenine-dinucleotide: G11 (= G14), T13 (= T16), G15 (= G18), I16 (= I19), F36 (≠ R39), D63 (= D66), L64 (= L67), N90 (= N89), G92 (= G91), L113 (≠ V112), I140 (≠ L139), Y155 (= Y154), K159 (= K158), P185 (= P184), G186 (= G185), W187 (≠ P186), V188 (≠ T187), T190 (≠ S189), L192 (≠ G191), V193 (= V192)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
32% identity, 96% coverage: 5:258/264 of query aligns to 2:256/260 of 3w8dA

query
sites
3w8dA

L

L

S

K

N

G

K

K

L

K

A

A

I

V

V

V

S

T

G
|
G

S

S

T
|
T

A
x
S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

G

E

L

L

A

A

Q

K

A

A

G

G

A

A

E

D

V

V

V

I

N

N

G

G

R
x
F

T

G

Q

Q

A

P

R

E

-

D

V

I

D

E

E

R

A

E

L

R

A

S

T

T

I

L

H

E

A

S

E

K

F

F

P

-

D

G

A

V

R

K

L

A

R

Y

G

Y

F

L

A

N

A
|
A

D
|
D

L
|
L

-

S

-

D

-

A

-

Q

G

A

T

T

V

R

E

D

G

F

V

I

A

A

K

K

L

A

T

A

V

E

A

A

I

L

P

G

A

G

A

L

D

D

I

I

L

L

V

V

N

N

N
|
N

L
x
A

G
|
G

I

I

F
x
Q

E

H

A

T

K

A

G

P

F

I

F

E

D

E

I

F

G

P

D

V

D

D

E

K

W

W

Q

N

R

A

F

I

D

A

V
x
L

N
|
N

V

L

M

S

S

A

A

V

V

F

R

H

L

G

S

T

R

A

Y

A

A

L

P

P

K

I

M

M

V

Q

E

K

R

Q

G

G

W

W

G

G

R

R

V

I

L

I

F

N

L

I

S

A

S
|
S

E

A

S
x
H

G

G

L

L

Q

V

I

A

P

S

V

V

E

N

M
x
K

V

S

H

A

Y
|
Y

G

V

M

A

T

A

K
|
K

T

H

A

G

L

V

A

G

V

L

S

T

R

K

G

V

L

T

A

A

E

L

T

E

L

N

A

A

G

G

T

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

L

C

P
|
P

G
|
G

P
x
W

T
x
V

R

R

S
x
T

E

P

G
x
L

V
|
V

S

E

D

K

F
x
Q

F

I

G

E

G

A

L
x
I

A

S

Q

Q

Q

K

G

G

V

I

P

D

V

I

E

E

Q

A

L

A

E

A

N

R

D

E

F

L

V

L

A

A

Q

E

H

K

R

Q

P

P

S

S

S

-

L

-

I

-

K

L

R

Q

L

F

A

V

T

T

V

P

E

E

E

Q

V

L

A

G

N

G

M

A

V

A

V

V

Y

F

L

L

A

S

S

S

Q

A

A

A

S

D

A

Q

T

M

T

T

G

G

A

T

S

T

V

L

R

S

V

L

D

D

G

G

active site: G15 (= G18), N114 (= N113), S142 (= S141), Y155 (= Y154), K159 (= K158), I200 (≠ L199)
binding methylmalonic acid: Q94 (≠ F93), S142 (= S141), H144 (≠ S143), K152 (≠ M151), Y155 (= Y154), W187 (≠ P186), Q196 (≠ F195)
binding nicotinamide-adenine-dinucleotide: G11 (= G14), T13 (= T16), S14 (≠ A17), G15 (= G18), I16 (= I19), F36 (≠ R39), A62 (= A65), D63 (= D66), L64 (= L67), N90 (= N89), A91 (≠ L90), G92 (= G91), L113 (≠ V112), S142 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P184), G186 (= G185), W187 (≠ P186), V188 (≠ T187), T190 (≠ S189), L192 (≠ G191), V193 (= V192)

Sites not aligning to the query:

binding methylmalonic acid: 257

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
32% identity, 96% coverage: 5:258/264 of query aligns to 2:256/260 of 3vdrA

query
sites
3vdrA

L

L

S

K

N

G

K

K

L

K

A

A

I

V

V

V

S

T

G
|
G

S

S

T
|
T

A

S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

G

E

L

L

A

A

Q

K

A

A

G

G

A

A

E

D

V

V

V

I

N

N

G

G

R
x
F

T

G

Q

Q

A

P

R

E

-

D

V

I

D

E

E

R

A

E

L

R

A

S

T

T

I

L

H

E

A

S

E

K

F

F

P

-

D

G

A

V

R

K

L

A

R

Y

G

Y

F

L

A

N

A

A

D
|
D

L
|
L

-

S

-

D

-

A

-

Q

G

A

T

T

V

R

E

D

G

F

V

I

A

A

K

K

L

A

T

A

V

E

A

A

I

L

P

G

A

G

A

L

D

D

I

I

L

L

V

V

N

N

N
|
N

L
x
A

G
|
G

I

I

F
x
Q

E

H

A

T

K

A

G

P

F

I

F

E

D

E

I

F

G

P

D

V

D

D

E

K

W

W

Q

N

R

A

F

I

D

A

V
x
L

N
|
N

V

L

M

S

S

A

A

V

V

F

R

H

L

G

S

T

R

A

Y

A

A

L

P

P

K

I

M

M

V

Q

E

K

R

Q

G

G

W

W

G

G

R

R

V

I

L

I

F

N

L

I

S

A

S
|
S

E

A

S
x
H

G

G

L

L

Q

V

I

A

P

S

V

V

E

N

M
x
K

V

S

H

A

Y
|
Y

G

V

M

A

T

A

K
|
K

T

H

A

G

L

V

A

G

V

L

S

T

R

K

G

V

L

T

A

A

E

L

T

E

L

N

A

A

G

G

T

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

L

C

P

P

G
|
G

P
x
W

T
x
V

R

R

S
x
T

E

P

G
x
L

V
|
V

S

E

D

K

F
x
Q

F

I

G

E

G

A

L
x
I

A

S

Q

Q

Q

K

G

G

V

I

P

D

V

I

E

E

Q

A

L

A

E

A

N

R

D

E

F

L

V

L

A

A

Q

E

H

K

R

Q

P

P

S

S

S

-

L

-

I

-

K

L

R

Q

L

F

A

V

T

T

V

P

E

E

E

Q

V

L

A

G

N

G

M

A

V

A

V

V

Y

F

L

L

A

S

S

S

Q

A

A

A

S

D

A

Q

T

M

T

T

G

G

A

T

S

T

V

L

R

S

V

L

D

D

G

G

active site: G15 (= G18), N114 (= N113), S142 (= S141), Y155 (= Y154), K159 (= K158), I200 (≠ L199)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ F93), H144 (≠ S143), K152 (≠ M151), Y155 (= Y154), W187 (≠ P186), Q196 (≠ F195)
binding acetoacetic acid: Q94 (≠ F93), H144 (≠ S143), K152 (≠ M151), Y155 (= Y154), W187 (≠ P186), Q196 (≠ F195)
binding nicotinamide-adenine-dinucleotide: G11 (= G14), T13 (= T16), I16 (= I19), F36 (≠ R39), D63 (= D66), L64 (= L67), N90 (= N89), A91 (≠ L90), G92 (= G91), L113 (≠ V112), K159 (= K158), G186 (= G185), V188 (≠ T187), T190 (≠ S189), L192 (≠ G191), V193 (= V192)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G14), T13 (= T16), I16 (= I19), F36 (≠ R39), D63 (= D66), L64 (= L67), N90 (= N89), A91 (≠ L90), G92 (= G91), L113 (≠ V112), S142 (= S141), Y155 (= Y154), K159 (= K158), G186 (= G185), V188 (≠ T187), T190 (≠ S189), L192 (≠ G191), V193 (= V192)

Sites not aligning to the query:

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
32% identity, 96% coverage: 5:258/264 of query aligns to 2:256/260 of 3vdqA

query
sites
3vdqA

L

L

S

K

N

G

K

K

L

K

A

A

I

V

V

V

S

T

G
|
G

S

S

T

T

A
x
S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

G

E

L

L

A

A

Q

K

A

A

G

G

A

A

E

D

V

V

V

I

N

N

G

G

R
x
F

T

G

Q

Q

A

P

R

E

-

D

V

I

D

E

E

R

A

E

L

R

A

S

T

T

I

L

H

E

A

S

E

K

F

F

P

-

D

G

A

V

R

K

L

A

R

Y

G

Y

F

L

A

N

A

A

D
|
D

L
|
L

-

S

-

D

-

A

-

Q

G

A

T

T

V

R

E

D

G

F

V

I

A

A

K

K

L

A

T

A

V

E

A

A

I

L

P

G

A

G

A

L

D

D

I

I

L

L

V

V

N

N

N
|
N

L
x
A

G
|
G

I

I

F
x
Q

E

H

A

T

K

A

G

P

F

I

F

E

D

E

I

F

G

P

D

V

D

D

E

K

W

W

Q

N

R

A

F

I

D

A

V
x
L

N
|
N

V

L

M

S

S

A

A

V

V

F

R

H

L

G

S

T

R

A

Y

A

A

L

P

P

K

I

M

M

V

Q

E

K

R

Q

G

G

W

W

G

G

R

R

V

I

L

I

F

N

L
x
I

S

A

S
|
S

E

A

S
x
H

G

G

L

L

Q

V

I

A

P

S

V

V

E

N

M
x
K

V

S

H

A

Y
|
Y

G

V

M

A

T

A

K
|
K

T

H

A

G

L

V

A

G

V

L

S

T

R

K

G

V

L

T

A

A

E

L

T

E

L

N

A

A

G

G

T

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

L

C

P
|
P

G
|
G

P
x
W

T
x
V

R

R

S
x
T

E

P

G
x
L

V
|
V

S

E

D

K

F
x
Q

F

I

G

E

G

A

L
x
I

A

S

Q

Q

Q

K

G

G

V

I

P

D

V

I

E

E

Q

A

L

A

E

A

N

R

D

E

F

L

V

L

A

A

Q

E

H

K

R

Q

P

P

S

S

S

-

L

-

I

-

K

L

R

Q

L

F

A

V

T

T

V

P

E

E

E

Q

V

L

A

G

N

G

M

A

V

A

V

V

Y

F

L

L

A

S

S

S

Q

A

A

A

S

D

A

Q

T

M

T

T

G

G

A

T

S

T

V

L

R

S

V

L

D

D

G

G

active site: G15 (= G18), N114 (= N113), S142 (= S141), Y155 (= Y154), K159 (= K158), I200 (≠ L199)
binding acetate ion: Q94 (≠ F93), H144 (≠ S143), K152 (≠ M151), W187 (≠ P186), L192 (≠ G191), Q196 (≠ F195)
binding nicotinamide-adenine-dinucleotide: G11 (= G14), S14 (≠ A17), I16 (= I19), F36 (≠ R39), D63 (= D66), L64 (= L67), N90 (= N89), A91 (≠ L90), G92 (= G91), L113 (≠ V112), I140 (≠ L139), S142 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P184), G186 (= G185), W187 (≠ P186), V188 (≠ T187), T190 (≠ S189), L192 (≠ G191), V193 (= V192)

6jhbB Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound aerf from microcystis aeruginosa (see paper)
28% identity, 99% coverage: 1:262/264 of query aligns to 1:264/264 of 6jhbB

query
sites
6jhbB

M

M

K

D

I

L

D

G

L

L

S

K

N

D

K

K

L

V

A

A

I

L

V

I

S

T

G
|
G

S

S

T
x
S

A
|
A

G
|
G

I
|
I

G

G

L

F

A

T

I

I

A

A

R

E

G

K

L

L

A

A

Q

E

A

E

G

G

A

C

E

H

V

L

V

I

N

C

G
|
G

R
|
R

T
x
N

Q

S

A

Q

R

R

V

L

D

E

E

Q

A

A

L

Y

A

Q

T

S

I

L

H

A

A

Q

E

A

F

Y

P

P

D

A

A

Q

R

Q

L

I

R

L

G

R

F

L

A

V

A
|
A

D
|
D

L
x
V

G
x
H

T

Q

V

A

E

Q

G

D

V

S

A

E

K

Q

L

L

T

I

V

Q

-

D

-

S

-

L

-

N

A

Q

I

Y

P

G

A

K

A

I

D

D

I

I

L

L

V

V

N

N

N
|
N

L
x
S

-
x
E

-

G

G

A

I

N

F

F

E

A

A

E

K

N

G

L

F

I

F

E

D

N

I

L

G

S

D

D

D

E

E

D

W

W

Q

L

R

N

F

V

F

F

D

Q

V

G

N
x
K

V

L

M

I

S

G

A

Y

V

I

R

R

L

L

S

T

R

N

Y

L

Y

V

A

L

P

P

K

I

M

M

V

K

E

K

R

Q

G

H

W

W

G

G

R

R

V

I

L

V

F

N

L
x
I

S
x
I

S
x
G

E

T

S
|
S

G

G

L

K

Q

E

I

P

P

S

V

P

E

R

M
x
L

V

V

H

K

Y
x
S

G

G

M

V

T

V

K
x
N

T

A

A

A

L

L

L

M

A

N

V

F

S

T

R

K

G

S

L

V

A

A

E

R

T

Q

L

T

A

A

G

P

T

Y

G

N

V

V

T

L

V

I

N

N

A

S

V

V

L

N

P
|
P

G

G

P

V

T
x
I

R

D

S
x
T

E
x
P

G
x
R

V

H

S

R

D

E

F

Y

F

L

G

E

G

I

L

Y

A

A

Q

K

Q

E

G

G

V

T

P

-

V

T

E

P

Q

D

L

L

E

I

N

R

D

E

F

R

V

I

A

L

Q

K

H

T

R

I

P

P

S

-

L

-

I

M

K

N

R

R

L

I

A

G

T

T

V

T

E

E

V

F

A

A

N

N

M

L

V

V

Y

F

L

L

A

A

S

S

Q

E

Q

C

A

A

S

S

A

Y

T

I

T

T

G

G

A

I

S

T

V

I

R

P

V

L

D

D

G

G

V

L

V

S

R

S

S

S

active site: G18 (= G18), S160 (≠ Y154)
binding 3-(4-hydroxy-phenyl)pyruvic acid: G147 (≠ S141), S149 (= S143), L157 (≠ M151), S160 (≠ Y154), N164 (≠ K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G14 (= G14), S16 (≠ T16), A17 (= A17), G18 (= G18), I19 (= I19), G38 (= G38), R39 (= R39), N40 (≠ T40), A65 (= A65), D66 (= D66), V67 (≠ L67), H68 (≠ G68), N93 (= N89), S94 (≠ L90), E95 (vs. gap), K119 (≠ N113), I145 (≠ L139), I146 (≠ S140), P190 (= P184), I193 (≠ T187), T195 (≠ S189), P196 (≠ E190), R197 (≠ G191)

2zatA Crystal structure of a mammalian reductase (see paper)
35% identity, 96% coverage: 5:258/264 of query aligns to 3:246/251 of 2zatA

query
sites
2zatA

L

L

S

E

N

N

K

K

L

V

A

A

I

L

V

V

S

T

G
x
A

S

S

T
|
T

A
x
D

G
|
G

I
|
I

G

G

L

L

A

A

I

I

A

A

R

R

G

R

L

L

A

A

Q

Q

A

D

G

G

A

A

E

H

V

V

N

S

G
x
S

R
|
R

T
x
K

Q

Q

A

E

R
x
N

V

V

D

D

E

R

A

T

L

V

A

A

T

T

I

L

H

Q

A

G

E

E

F

-

P

-

D

G

A

L

R

S

L

V

R

T

G

G

F

T

A

V

A

C

D
x
H

L

V

G

G

T

K

V

A

E

E

G

D

V

R

A

E

K

R

L

L

T

-

V

V

A

A

I

M

P

A

-

V

-

N

-

L

-

H

-

G

A

G

A

V

D

D

I

I

L

L

V

V

N

S

N
|
N

L

A

G
x
A

I

V

F

N

E

P

A

F

K

F

G

G

-

N

F

I

D

D

I

A

G

T

D

E

E

V

W

W

Q

D

R

K

F

I

F

L

D

H

V

V

N

N

V

V

M

K

S

A

A

T

V

V

R

L

L

M

S

T

R

K

Y

A

Y

V

A

V

P

P

K

E

M

M

V

E

E

K

R

R

G

G

W

G

G

G

R

S

V

V

L

L

F

I

L
x
V

S

S

S
|
S

E

V

S

G

G

A

L

Y

Q

H

I

P

P

F

V

P

E

N

M
x
L

V

G

H

P

Y
|
Y

G

N

M

V

T

S

K
|
K

T

T

A

A

L

L

A

G

V

L

S

T

R

K

G

N

L

L

A

A

E

V

T

E

L

L

A

A

G

P

T

R

G

N

V

I

T

R

V

V

N

N

A

C

V

L

L

A

P
|
P

G
|
G

P

L

T
x
I

R

K

S

-

E

-

G

-

V

-

S
x
T

D

N

F
|
F

F

-

G

-

L

-

A

-

Q

-

Q
x
S

Q

Q

G

V

V

L

P

W

V

M

E

D

Q
x
K

L

A

E

R

N

K

D

E

F

Y

V

M

A

K

Q

E

H

-

R

-

P

-

S

S

S

L

L

R

I

I

K

R

R

R

L

L

A

G

T

N

V

P

E

E

E

D

V

C

A

A

N

G

M

I

V

V

V

S

Y

F

L

L

A

C

S

S

Q

E

Q

D

A

A

S

S

A

Y

T

I

T

T

G

G

A

E

S

T

V

V

R

V

V

V

D

G

G

G

active site: G16 (= G18), S142 (= S141), L152 (≠ M151), Y155 (= Y154), K159 (= K158), K200 (≠ Q209)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A12 (≠ G14), T14 (= T16), D15 (≠ A17), G16 (= G18), I17 (= I19), S36 (≠ G38), R37 (= R39), K38 (≠ T40), N41 (≠ R43), H62 (≠ D66), N89 (= N89), A91 (≠ G91), V140 (≠ L139), S142 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P184), G186 (= G185), I188 (≠ T187), T190 (≠ S193), F192 (= F195), S193 (≠ Q202)

Q8WNV7 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; PHCR; NADPH-dependent retinol dehydrogenase/reductase; NDRD; Peroxisomal carbonyl reductase; PerCR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; EC 1.1.1.184; EC 1.1.1.300 from Sus scrofa (Pig) (see 2 papers)
35% identity, 96% coverage: 5:258/264 of query aligns to 31:274/279 of Q8WNV7

query
sites
Q8WNV7

L

L

S

E

N

N

K

K

L

V

A

A

I
x
L

V
|
V

S
x
T

G
x
A

S
|
S

T
|
T

A
x
D

G
|
G

I
|
I

G
|
G

L
|
L

A
|
A

I
|
I

A
|
A

R
|
R

G
x
R

L
|
L

A
|
A

Q
|
Q

A
x
D

G
|
G

A
|
A

E
x
H

V
|
V

V

V

N

S

G

S

R

R

T

K

Q

Q

A

E

R

N

V

V

D

D

E

R

A

T

L

V

A

A

T

T

I

L

H

Q

A

G

E

E

F

-

P

-

D

G

A

L

R

S

L

V

R

T

G

G

F

T

A

V

A

C

D

H

L

V

G

G

T

K

V

A

E

E

G

D

V

R

A

E

K

R

L

L

T

-

V

V

A

A

I

M

P

A

-

V

-

N

-

L

-

H

-

G

A

G

A

V

D

D

I

I

L

L

V

V

N

S

N

N

L

A

G

A

I

V

F

N

E

P

A

F

K

F

G

G

-

N

F

I

D

D

I

A

G

T

D

E

E

V

W

W

Q

D

R

K

F

I

F

L

D

H

V

V

N

N

V

V

M

K

S

A

A

T

V

V

R

L

L

M

S

T

R

K

Y

A

Y

V

A

V

P

P

K

E

M

M

V

E

E

K

R

R

G

G

W

G

G

G

R

S

V

V

L

L

F

I

L

V

S

S

E

V

S

G

G

A

L

Y

Q

H

I

P

P
x
F

V

P

E

N

M
x
L

V

G

H

P

Y
|
Y

G

N

M

V

T

S

K
|
K

T

T

A

A

L

L

A

G

V

L

S

T

R

K

G
x
N

L

L

A

A

E

V

T

E

L

L

A

A

G

P

T

R

G

N

V

I

T

R

V

V

N

N

A

C

V

L

L

A

P

P

G

G

P

L

T

I

R

K

S

-

E

-

G

-

V

-

S

T

D

N

F

F

F

-

G

-

L

-

A

-

Q

-

Q

S

Q

Q

G

V

V

L

P

W

V

M

E

D

Q

K

L

A

E

R

N

K

D

E

F

Y

V

M

A

K

Q

E

H

-

R

-

P

-

S

S

S

L

L

R

I

I

K

R

R

R

L

L

A

G

T

N

V

P

E

E

E

D

V

C

A

A

N

G

M

I

V

V

V

S

Y

F

L

L

A

C

S

S

Q

E

Q

D

A

A

S

S

A

Y

T

I

T

T

G

G

A

E

S

T

V

V

R

V

V

V

D

G

G

G

37:61 (vs. 11:35, 72% identical) binding NADP(+)
F177 (≠ P148) Responsible for the stereoselective reduction of 3-ketosteroids into 3alpha-hydroxysteroids and benzil into S-benzoin; mutation to S: Change in stereoselective activity by the reduction of 3-ketosteroids and benzil into 3beta-hydroxysteroid and R-benzoin, respectively; when associated with F-180.
L180 (≠ M151) Responsible for the stereoselective reduction of 3-ketosteroids into 3alpha-hydroxysteroids and benzil into S-benzoin; mutation to F: Change in stereoselective activity by the reduction of 3-ketosteroids and benzil into 3beta-hydroxysteroid and R-benzoin, respectively; when associated with S-177.
Y183 (= Y154) active site, Proton acceptor
K187 (= K158) binding NADP(+)
N196 (≠ G167) Important for the maintenance of the quaternary structure, the catalytic activity and cold stability

Sites not aligning to the query:

277:279 Peroxisomal targeting signal

3o4rA Crystal structure of human dehydrogenase/reductase (sdr family) member 4 (dhrs4)
33% identity, 96% coverage: 5:258/264 of query aligns to 6:249/254 of 3o4rA

query
sites
3o4rA

L

L

S

A

N

N

K

K

L

V

A

A

I

L

V

V

S

T

G
x
A

S

S

T
|
T

A
x
D

G
|
G

I
|
I

G

G

L

F

A

A

I

I

A

A

R

R

G

R

L

L

A

A

Q

Q

A

D

G

G

A

A

E

H

V

V

N

S

G
x
S

R
|
R

T
x
K

Q

Q

A

Q

R
x
N

V

V

D

D

E

Q

A

A

L

V

A

A

T

T

I

L

H

Q

A

G

E

E

F

-

P

-

D

G

A

L

R

S

L

V

R

T

G

G

F

T

A

V

A

C

D
x
H

L
x
V

G

G

T

K

V

A

E

E

G

D

V

R

A

E

K

R

L

L

T

V

-

A

V

T

A

A

I

V

P

K

-

L

-

H

-

G

A

G

A

I

D

D

I

I

L

L

V

V

N

S

N
|
N

L

A

G
x
A

I

V

F

N

E

P

A

F

K

F

G

G

-

S

F

I

F

M

D

D

I

V

G

T

D

E

E

V

W

W

Q

D

R

K

F

T

F

L

D

D

V

I

N

N

V

V

M

K

S

A

A

P

V

A

R

L

L

M

S

T

R

K

Y

A

Y

V

A

V

P

P

K

E

M

M

V

E

E

K

R

R

G

G

W

G

G

G

R

S

V

V

L

V

F

I

L

V

S

S

S
|
S

E

I

S

A

G

A

L

F

Q

S

I

P

P

S

V

P

E

G

M
x
F

V

S

H

P

Y
|
Y

G

N

M

V

T

S

K
|
K

T

T

A

A

L

L

A

G

V

L

S

T

R

K

G

T

L

L

A

A

E

I

T

E

L

L

A

A

G

P

T

R

G

N

V

I

T

R

V

V

N

N

A

C

V

L

L

A

P
|
P

G
|
G

P
x
L

T
x
I

R

K

S
x
T

E

S

G

-

V

-

S

-

D

-

F

-

F
|
F

G
x
S

G

R

L

M

A

L

Q

W

Q

M

Q

D

G
x
K

V

E

P

K

V

E

E

E

Q

S

L

M

E

K

N

E

D

T

F

L

V

-

A

-

Q

-

H

-

R

-

P

-

S

-

L

R

I

I

K

R

R

R

L

L

A

G

T

E

V

P

E

E

E

D

V

C

A

A

N

G

M

I

V

V

V

S

Y

F

L

L

A

C

S

S

Q

E

Q

D

A

A

S

S

A

Y

T

I

T

T

G

G

A

E

S

T

V

V

R

V

V

V

D

G

G

G

active site: G19 (= G18), S145 (= S141), F155 (≠ M151), Y158 (= Y154), K162 (= K158), K203 (≠ G204)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A15 (≠ G14), T17 (= T16), D18 (≠ A17), G19 (= G18), I20 (= I19), S39 (≠ G38), R40 (= R39), K41 (≠ T40), N44 (≠ R43), H65 (≠ D66), V66 (≠ L67), N92 (= N89), A94 (≠ G91), S145 (= S141), Y158 (= Y154), K162 (= K158), P188 (= P184), G189 (= G185), L190 (≠ P186), I191 (≠ T187), T193 (≠ S189), F195 (= F196), S196 (≠ G197)

Q9BTZ2 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; NADPH-dependent retinol dehydrogenase/reductase; NRDR; humNRDR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; SCAD-SRL; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; Short-chain dehydrogenase/reductase family member 4; EC 1.1.1.184 from Homo sapiens (Human) (see 2 papers)
33% identity, 96% coverage: 5:258/264 of query aligns to 30:273/278 of Q9BTZ2

query
sites
Q9BTZ2

L

L

S

A

N

N

K

K

L

V

A

A

I

L

V

V

S

T

G

A

S

S

T

T

A

D

G

G

I

I

G

G

L

F

A

A

I

I

A

A

R

R

G

R

L

L

A

A

Q

Q

A

D

G

G

A

A

E

H

V

V

N

S

G

S

R

R

T

K

Q

Q

A

Q

R

N

V

V

D

D

E

Q

A

A

L

V

A

A

T

T

I

L

H

Q

A

G

E

E

F

-

P

-

D

G

A

L

R

S

L

V

R

T

G

G

F

T

A

V

A

C

D

H

L

V

G

G

T

K

V

A

E

E

G

D

V

R

A

E

K

R

L

L

T

V

-

A

V

T

A

A

I

V

P

K

-

L

-

H

-

G

A

G

A

I

D

D

I

I

L

L

V

V

N

S

N

N

L

A

G

A

I

V

F

N

E

P

A

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K

F

G

G

-

S

F

I

F

M

D

D

I

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G

T

D

E

E

V

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W

Q

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x
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x
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x
T

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I

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L

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C

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S176 (≠ P148) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to F: Decreased reduction activity for benzil, isatin and retinal and increased activity for 5beta-Pregnane-3,20-dione and 5beta-Dihydrotestosterone. No change of stereoselectivity in 3-ketosteroids reduction and no change in 3beta-hydroxysteroid oxidation. Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with L-179. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with L-179. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with L-179. Loss of cold catalytic inactivation; when associated with L-179 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with L-179 and N-195.
F179 (≠ M151) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to L: Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with F-176. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with F-176. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176. Loss of cold catalytic inactivation; when associated with F-176 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and N-195.
T195 (≠ G167) mutation to N: Loss of cold catalytic inactivation. Loss of cold catalytic inactivation; when associated with F-176 and L-179. Switch in stereoselective activity from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176 and L-179. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and L-179.

5ojiA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
31% identity, 95% coverage: 8:259/264 of query aligns to 11:256/260 of 5ojiA

query
sites
5ojiA

K

K

L

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A

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active site: G21 (= G18), S148 (= S141), Y161 (= Y154), K165 (= K158)
binding isatin: S148 (= S141), S150 (= S143), Y161 (= Y154), V193 (≠ P186), S199 (≠ V192), L202 (≠ F195)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A17 (≠ G14), T19 (= T16), I22 (= I19), S41 (≠ G38), R42 (= R39), N43 (≠ T40), N46 (≠ R43), I69 (≠ L67), N95 (= N89), H96 (≠ L90), G97 (= G91), N146 (≠ L139), S148 (= S141), Y161 (= Y154), K165 (= K158), G192 (= G185), I194 (≠ T187), T196 (≠ S189), M198 (≠ G191)

5ojgA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
31% identity, 95% coverage: 8:259/264 of query aligns to 11:256/260 of 5ojgA

query
sites
5ojgA

K

K

L

V

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A

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