SitesBLAST

Q48436 Diacetyl reductase [(S)-acetoin forming]; Acetoin(diacetyl) reductase; AR; Meso-2,3-butanediol dehydrogenase; EC 1.1.1.304 from Klebsiella pneumoniae (see paper)
42% identity, 97% coverage: 7:262/263 of query aligns to 3:255/256 of Q48436

query
sites
Q48436

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D

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Y

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N

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6:33 (vs. 10:37, 57% identical) binding
D59 (= D65) binding
K156 (= K162) binding

1gegE Cryatal structure analysis of meso-2,3-butanediol dehydrogenase (see paper)
41% identity, 97% coverage: 7:262/263 of query aligns to 3:255/256 of 1gegE

query
sites
1gegE

R

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G

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A

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D

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Y

N
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N

G

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S

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x
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I

-

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active site: G13 (= G17), S139 (= S145), Y152 (= Y158), K156 (= K162), V197 (≠ L203)
binding alpha-D-glucopyranose: R63 (= R69), D64 (≠ E70), F67 (≠ R73), E123 (≠ K129)
binding nicotinamide-adenine-dinucleotide: G9 (= G13), G11 (≠ A15), Q12 (= Q16), G13 (= G17), I14 (= I18), D33 (= D37), Y34 (≠ I38), N35 (= N39), V58 (= V64), D59 (= D65), V60 (= V66), N86 (= N92), A87 (= A93), G88 (= G94), I109 (≠ V115), A137 (≠ T143), C138 (≠ A144), S139 (= S145), Y152 (= Y158), K156 (= K162), P182 (= P188), G183 (= G189), I184 (≠ V190), V185 (= V191), T187 (= T193), P188 (≠ E194), M189 (= M195), W190 (= W196)

6pejA Structure of sorbitol dehydrogenase from sinorhizobium meliloti 1021 bound to sorbitol
40% identity, 98% coverage: 1:259/263 of query aligns to 1:253/257 of 6pejA

query
sites
6pejA

M

M

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G

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x
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R

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G

active site: G17 (= G17), S140 (= S145), Y153 (= Y158)
binding sorbitol: F91 (≠ N96), S140 (= S145), Q141 (≠ I146), A142 (= A147), R145 (≠ Q150), E147 (≠ F152), Y153 (= Y158), G184 (= G189), V185 (= V190), H190 (≠ M195), W191 (= W196), F198 (≠ L203), V213 (≠ F219)

Q9ZNN8 L-2,3-butanediol dehydrogenase; L-BDH; (S,S)-butanediol dehydrogenase; Diacetyl reductase [(S)-acetoin forming]; EC 1.1.1.76; EC 1.1.1.304 from Corynebacterium glutamicum (Brevibacterium saccharolyticum) (see paper)
38% identity, 97% coverage: 7:260/263 of query aligns to 3:255/258 of Q9ZNN8

query
sites
Q9ZNN8

R

K

S

V

C

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M

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V

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T

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G

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G

A

A

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Q

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G

I
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I

G

G

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R

A

G

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I

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E

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D

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D

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D

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G

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G

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D

V

V

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F

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N

N

N
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N

A

A

G

G

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A

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Q

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I

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N

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E

N

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N

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A

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F

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G

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A

A

A

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I
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I

A

A

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A

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I

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Q

G

G

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F

D

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N

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A

S

P

A

Y
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Y

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A

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K

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F

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A

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A

G

A

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L

L

A

A

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G

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A

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P

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G

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x
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V

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x
G

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T

E

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M

M

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E

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N

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G

A

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T

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T

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F

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L

A

A

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N

S

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N

Y

Y

M

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T

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M

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D

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G

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M

QGI 12:14 (= QGI 16:18) binding
D33 (= D37) binding
Q37 (≠ I41) binding
DV 61:62 (= DV 65:66) binding
N88 (= N92) binding
I142 (= I146) mutation to Q: Loss of L-BD oxidizing activity, and does not gain the ability to use meso-BD as substrate; when associated with N-148.; mutation to Q: Loss of L-BD oxidizing activity. Does not gain the ability to use meso-BD as substrate.
F148 (= F152) mutation to N: Loss of L-BD oxidizing activity, and does not gain the ability to use meso-BD as substrate; when associated with Q-142.; mutation to N: Loss of L-BD oxidizing activity. Does not gain the ability to use meso-BD as substrate.
Y154 (= Y158) binding
K158 (= K162) binding
PGIVGT 184:189 (≠ PGVVDT 188:193) binding

3a28C Crystal structure of l-2,3-butanediol dehydrogenase (see paper)
38% identity, 97% coverage: 7:260/263 of query aligns to 2:254/257 of 3a28C

query
sites
3a28C

R

K

S

V

C

A

I

M

V

V

T

T

G
|
G

A

G

A

A

Q
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Q

G
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G

I
|
I

G

G

R

R

A

G

I

I

A

S

E

E

A

K

L

L

L

A

D

A

E

D

G

G

A

F

S

D

V

I

C

A

F

V

A

A

D
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D

I
x
L

N

P

G

Q

I
x
Q

K

E

V

E

A

Q

E

A

V

A

A

E

S

T

L

I

N

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R

L

S

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T

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H

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G

A

E

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F

A

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G

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x
L

D
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D

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V

T

T

D

D

R

K

E

A

T

N

V

F

R

D

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S

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A

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I

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D

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E

T

A

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A

A

E

M

K

F

L

G

G

K

G

L

F

D

D

V

V

K

L

F

V

N

N

N
|
N

A
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A

G
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G

V
x
I

N

A

K

Q

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I

M

K

N

P

F

L

L

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D

E

V

V

T

T

E

E

N

D

W

L

R

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F

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N

Y

D

S

V
|
V

N

N

G

V

L

F

G

S

C

V

L

F

I

F

G

G

M

I

Q

Q

E

A

A

A

A

S

K

R

Q

K

F

F

I

D

R

E

Q

L

G

G

T

V

F

K

G

G

K

K

I

I

N

N

T
x
A

A
|
A

S
|
S

I

I

A

A

S

A

R

I

Q

Q

G

G

F

F

D

P

N

I

V

L

A

S

P

A

Y
|
Y

C

S

A

T

S

T

K
|
K

F

F

G

A

V

V

V

R

A

G

L

L

T

T

Q

Q

S

A

G

A

A

A

R

Q

D

E

L

L

A

A

K

P

H

K

N

G

I

H

T

T

V

V

T

N

G

A

F

Y

A

A

P
|
P

G
|
G

V
x
I

V
|
V

D

G

T
|
T

E

G

M
|
M

W
|
W

E

E

Q

Q

V

I

D

D

Q

A

D

E

L
|
L

M

S

D

K

I

I

G

N

A

G

A

-

E

-

R

K

P

P

-

I

G

G

Q

E

A

N

M

F

E

K

E

E

F

Y

S

S

A

S

D

S

I

I

L

A

K

L

G

G

R

R

V

P

A

S

K

V

P

P

Q

E

D

D

I

V

T

A

G

G

T

L

T

V

T

S

F

F

L

L

A

A

A

S

P

E

D

N

S

S

D

N

Y

Y

M

V

T

T

G

G

Q

Q

I

V

V

M

M

L

I

V

D

D

G

G

M

M

active site: G12 (= G17), S140 (= S145), Y153 (= Y158), K157 (= K162), L198 (= L203)
binding nicotinamide-adenine-dinucleotide: G8 (= G13), Q11 (= Q16), G12 (= G17), I13 (= I18), D32 (= D37), L33 (≠ I38), Q36 (≠ I41), L59 (≠ V64), D60 (= D65), V61 (= V66), N87 (= N92), A88 (= A93), G89 (= G94), I90 (≠ V95), V110 (= V115), A138 (≠ T143), A139 (= A144), S140 (= S145), Y153 (= Y158), K157 (= K162), P183 (= P188), G184 (= G189), I185 (≠ V190), V186 (= V191), T188 (= T193), M190 (= M195), W191 (= W196)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
34% identity, 100% coverage: 1:262/263 of query aligns to 2:244/244 of 4nbuB

query
sites
4nbuB

M

M

G

S

R

R

V

L

S

Q

G

D

R

K

S

V

C

A

I

I

V

I

T

T

G
|
G

A

A

A
|
A

Q
x
N

G
|
G

I
|
I

G

G

R

L

A

E

I

A

A

A

E

R

A

V

L

F

L

M

D

K

E

E

G

G

A

A

S

K

V

V

C

V

F

I

A

A

D
|
D

I
x
F

N
|
N

G

E

I

A

K

A

V

G

A

K

E

E

V

A

A

V

S

E

L

A

N

N

R

P

S

G

T

-

H

-

G

-

E

-

S

-

R

-

V

V

T

V

H

F

A

I

Q

R

V
|
V

D
|
D

V
|
V

T

S

D

D

R

R

E

E

T

S

V

V

R

H

A

R

L

L

I

V

D

E

H

N

T

V

V

A

A

E

M

R

F

F

G

G

K

K

L

I

D

D

V

I

K

L

F

I

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N
x
T

K

R

P
x
D

M

S

N

M

F

L

L

S

D
x
K

V

M

T

T

E

V

E

D

N

Q

W

F

R

Q

F

Q

V

V

N

I

D

N

V
|
V

N
|
N

G

L

L

T

G

G

C

V

L

F

I

H

G

C

M

T

Q

Q

E

A

A

V

A

L

K

P

Q

Y

F

M

I

A

R

E

Q

Q

G

G

T

K

F

-

G

G

K

K

I

I

N

N

T
|
T

A
x
S

S
|
S

I

V

A
x
T

S

G

R

T

Q

Y

G

G

F
x
N

D
x
V

N
x
G

V
x
Q

A

T

P

N

Y
|
Y

C

A

A

A

S

A

K
|
K

F

A

G

G

V

V

V

I

A

G

L

M

T

T

Q

K

S

T

G

W

A

A

R

K

D

E

L

L

A

A

K

R

H

K

N

G

I

I

T

N

V

V

T

N

G

A

F

V

A

A

P
|
P

G
|
G

V
x
F

V
x
T

D

E

T
|
T

E
x
A

M
|
M

W

-

E

-

Q

-

V

-

D

-

Q

-

D

-

L

-

M

-

D

-

I

-

G

-

A
x
V

A

A

E

E

R

V

P

P

G

E

Q

K

A

V

M

I

E

E

E
x
K

F

M

S

K

A

A

D

Q

I

V

L

P

K

M

G

G

R

R

V

L

A

G

K

K

P

P

Q

E

D

D

I

I

T

A

G

N

T

A

T

Y

T

L

F

F

L

L

A

A

A

S

P

H

D

E

S

S

D

D

Y

Y

M

V

T

N

G

G

Q

H

I

V

V

L

M

H

I

V

D

D

G

G

M

I

T

M

L

M

active site: G18 (= G17), N111 (= N116), S139 (= S145), Q149 (≠ V155), Y152 (= Y158), K156 (= K162)
binding acetoacetyl-coenzyme a: T91 (≠ N96), D93 (≠ P98), K98 (≠ D103), S139 (= S145), T141 (≠ A147), N146 (≠ F152), V147 (≠ D153), G148 (≠ N154), Q149 (≠ V155), Y152 (= Y158), F184 (≠ V190), M189 (= M195), K200 (≠ E218)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), A16 (= A15), N17 (≠ Q16), G18 (= G17), I19 (= I18), D38 (= D37), F39 (≠ I38), N40 (= N39), V59 (= V64), D60 (= D65), V61 (= V66), N87 (= N92), A88 (= A93), G89 (= G94), I90 (≠ V95), V110 (= V115), T137 (= T143), S138 (≠ A144), S139 (= S145), Y152 (= Y158), K156 (= K162), P182 (= P188), G183 (= G189), F184 (≠ V190), T185 (≠ V191), T187 (= T193), A188 (≠ E194), M189 (= M195), V190 (≠ A208)

3ak4A Crystal structure of nadh-dependent quinuclidinone reductase from agrobacterium tumefaciens
37% identity, 98% coverage: 4:262/263 of query aligns to 5:257/258 of 3ak4A

query
sites
3ak4A

V

L

S

S

G

G

R

R

S

K

C

A

I

I

V

V

T

T

G
|
G

A

G

A
x
S

Q
x
K

G
|
G

I
|
I

G

G

R

A

A

A

I

I

A

A

E

R

A

A

L

L

L

D

D

K

E

A

G

G

A

A

S

T

V

V

C

A

F

I

A

A

D
|
D

I
x
L

N

D

G

V

I

M

K

A

V

A

-

Q

A

A

E

V

V

V

A

A

S

G

L

L

N

E

R

N

S

G

T

G

H

F

G

A

E

-

S

-

R

-

V

-

T

-

H

-

A

V

Q

E

V
|
V

D
|
D

V
|
V

T

T

D

K

R

R

E

A

T

S

V

V

R

D

A

A

L

A

I

M

D

Q

H

K

T

A

V

I

A

D

M

A

F

L

G

G

K

G

L

F

D

D

V

L

K

L

F

C

N

A

N
|
N

A
|
A

G
|
G

V
|
V

N

S

K

T

P

M

M

R

N

P

F

A

L

V

D

D

V

I

T

T

E

D

E

E

N

E

W

W

R

D

F

F

V

N

N

F

D

D

V
|
V

N

N

G

A

L

R

G

G

C

V

L

F

I

L

G

A

M

N

Q

Q

E

I

A

A

A

C

K

R

Q

H

F

F

I

L

R

A

Q

S

G

N

T

T

F

K

G

G

K

V

I

I

I

V

N

N

T
|
T

A
|
A

S
|
S

I

L

A

A

S

A

R

K

Q

V

G

G

F

A

D

P

N

L

V
x
L

A

A

P

H

Y
|
Y

C

S

A

A

S

S

K
|
K

F

F

G

A

V

V

V

F

A

G

L

W

T

T

Q

Q

S

A

G

L

A

A

R

R

D

E

L

M

A

A

K

P

H

K

N

N

I

I

T

R

V

V

T

N

G

C

F

V

A

C

P
|
P

G
|
G

V
x
F

V
|
V

D

K

T
|
T

E

A

M
|
M

W

-

E

-

Q

-

V

-

D

-

Q

Q

D

E

L
x
R

M

E

D

I

I

I

G

W

A
x
E

A

A

E

E

R

L

P

R

G

G

Q

M

A

T

M

P

E

E

E

A

F

V

S

R

A

A

D

E

I

Y

L

V

K

S

-

L

-

T

-

P

-

L

G

G

R

R

V

I

A

E

K

E

P

P

Q

E

D

D

I

V

T

A

G

D

T

V

F

F

L

L

A

A

A

S

P

D

D

A

S

A

D

R

Y

F

M

M

T

T

G

G

Q

Q

I

G

V

I

M

N

I

V

D

T

G

G

M

V

T

R

L

M

active site: G18 (= G17), S141 (= S145), L151 (≠ V155), Y154 (= Y158), K158 (= K162), E199 (≠ A208)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S16 (≠ A15), K17 (≠ Q16), G18 (= G17), I19 (= I18), D38 (= D37), L39 (≠ I38), V60 (= V64), D61 (= D65), V62 (= V66), N88 (= N92), A89 (= A93), G90 (= G94), V91 (= V95), V111 (= V115), T139 (= T143), A140 (= A144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), F186 (≠ V190), V187 (= V191), T189 (= T193), M191 (= M195), R194 (≠ L203)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
34% identity, 97% coverage: 7:262/263 of query aligns to 5:246/246 of 3osuA

query
sites
3osuA

R

K

S

S

C

A

I

L

V

V

T

T

G

G

A

A

A

S

Q

R

G
|
G

I

I

G

G

R

R

A

S

I

I

A

A

E

L

A

Q

L

L

L

A

D

E

E

E

G

G

A

Y

S

N

V

V

C

A

F

V

A

N

D

Y

I

A

N

G

G

S

I

K

K

E

V

K

A

A

E

E

V

A

A

V

S

V

L

E

N

E

R

I

S

K

T

A

H

K

G

G

E

V

S

D

R

S

V

F

T

A

H

-

A

I

Q

Q

V

A

D

N

V

V

T

A

D

D

R

A

E

D

T

E

V

V

R

K

A

A

L

M

I

I

D

K

H

E

T

V

V

V

A

S

M

Q

F

F

G

G

K

S

L

L

D

D

V

V

K

L

F

V

N

N

N
|
N

A

A

G

G

V

I

N

T

K

R

P

D

M

N

N

L

F

L

L

M

D

R

V

M

T

K

E

E

E

Q

N

E

W

W

R

D

F

D

V

V

N

I

D

D

V

T

N

N

G

L

L

K

G

G

C

V

L

F

I

N

G

C

M

I

Q

Q

E

K

A

A

A

T

K

P

Q

Q

F

M

I

L

R

R

Q

Q

G

R

T

S

F

-

G

G

K

A

I

I

N

N

T

L

A

S

S
|
S

I

V

A

V

S

G

R

A

Q

V

G

G

F

N

D

P

N

G

V
x
Q

A

A

P

N

Y
|
Y

C

V

A

A

S

T

K
|
K

F

A

G

G

V

V

V

I

A

G

L

L

T

T

Q

K

S

S

G

A

A

A

R

R

D

E

L

L

A

A

K

S

H

R

N

G

I

I

T

T

V

V

T

N

G

A

F

V

A

A

P

P

G

G

V

F

V

I

D

V

T

S

E

D

M

M

W

T

E

D

Q

A

V

L

D

S

Q

D

D

E

L

L

M

-

D

-

I

-

G

-

A

-

E

-

R

-

P

-

G

-

Q

-

A

-

M

K

E

E

E

Q

F

M

S

L

A

T

D

Q

I

I

L

P

K

L

G

A

R

R

V

F

A

G

K

Q

P

D

Q

T

D

D

I

I

T

A

G

N

T

T

T

V

T

A

F

F

L

L

A

A

A

S

P

D

D

K

S

A

D

K

Y

Y

M

I

T

T

G

G

Q

Q

I

T

V

I

M

H

I

V

D

N

G

G

M

M

T

Y

L

M

active site: G15 (= G17), S141 (= S145), Q151 (≠ V155), Y154 (= Y158), K158 (= K162)
binding magnesium ion: N89 (= N92), K158 (= K162)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
34% identity, 99% coverage: 3:262/263 of query aligns to 5:247/247 of 7tzpG

query
sites
7tzpG

R

K

V

L

S

A

G

S

R

K

S

T

C

A

I

I

V

V

T

T

G
|
G

A

A

A
|
A

Q
x
R

G
|
G

I
|
I

G

G

R

F

A

G

I

I

A

A

E

Q

A

V

L

L

L

A

D

R

E

E

G

G

A

A

S

R

V

V

C

I

F

I

A

A

D
|
D

I
x
R

N

D

G

A

I

H

K

G

V

E

A

A

E

A

V

A

A

A

S

S

L

L

N

R

R

E

S

S

T

G

H

-

G

-

E

-

S

A

R

Q

V

A

T

L

H

F

A

I

Q

S

V
x
C

D
x
N

V
x
I

T

A

D

E

R

K

E

T

T

Q

V

V

R

E

A

A

L

L

I

F

D

S

H

Q

T

A

V

E

A

E

M

A

F

F

G

G

K

P

L

V

D

D

V

I

K

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N

N

K

R

P

D

M

A

N

M

F

L

L

H

D

K

V

L

T

T

E

E

E

A

N

D

W

W

R

D

F

T

V

V

N

I

D

D

V
|
V

N

N

G

L

L

K

G

G

C

T

L

F

I

L

G

C

M

M

Q

Q

E

Q

A

A

K

I

Q

R

F

M

I

R

R

E

Q

R

G

G

T

A

F

-

G

G

K

R

I

I

N

N

T
x
I

A

A

S
|
S

I

-

A

A

S

S

R

W

Q

L

G

G

F

N

D

V

N

G

V

Q

A

T

P

N

Y
|
Y

C

S

A

A

S

S

K
|
K

F

A

G

G

V

V

A

G

L

M

T

T

Q

K

S

T

G

A

A

C

R

R

D

E

L

L

A

A

K

K

H

K

N

G

I

V

T

T

V

V

T

N

G

A

F

I

A

C

P
|
P

G
|
G

V
x
F

V
x
I

D

D

T
|
T

E

D

M
|
M

W
x
T

E

R

Q

G

V

V

D

P

Q

E

D

N

L

V

M

W

D

Q

I

I

G

M

A

V

A

S

E

K

R

I

P

P

G

A

Q

-

A

-

M

-

E

-

F

-

S

-

A

-

D

-

I

-

L

-

K

-

G

G

R

Y

V

A

A

G

K

E

P

A

Q

K

D

D

I

V

T

G

G

E

T

C

T

V

T

A

F

F

L

L

A

A

A

S

P

D

D

G

S

A

D

R

Y

Y

M

I

T

N

G

G

Q

E

I

V

V

I

M

N

I

V

D

G

G

G

M

M

T

V

L

L

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G13), A17 (= A15), R18 (≠ Q16), G19 (= G17), I20 (= I18), D39 (= D37), R40 (≠ I38), C63 (≠ V64), N64 (≠ D65), I65 (≠ V66), N91 (= N92), A92 (= A93), G93 (= G94), I94 (≠ V95), V114 (= V115), I141 (≠ T143), S143 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), F187 (≠ V190), I188 (≠ V191), T190 (= T193), M192 (= M195), T193 (≠ W196)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
34% identity, 97% coverage: 7:262/263 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

R

K

S

S

C

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

Q
x
R

G
|
G

I
|
I

G

G

R

R

A

S

I

I

A

A

E

L

A

Q

L

L

L

A

D

E

E

E

G

G

A

Y

S

N

V

V

C

A

F

V

A
x
N

D
x
Y

I
x
A

N
x
G

G
x
S

I

K

K

E

V

K

A

A

E

E

V

A

A

V

S

V

L

E

N

E

R

I

S

K

T

A

H

K

G

G

E

V

S

D

R

S

V

F

T

A

H

-

A

I

Q

Q

V
x
A

D
x
N

V
|
V

T

A

D

D

R

A

E

D

T

E

V

V

R

K

A

A

L

M

I

I

D

K

H

E

T

V

V

V

A

S

M

Q

F

F

G

G

K

S

L

L

D

D

V

V

K

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N

T

K

R

P

D

M

N

N

L

F

L

L

M

D

R

V

M

T

K

E

E

E

Q

N

E

W

W

R

D

F

D

V

V

N

I

D

D

V
x
T

N

N

G

L

L

K

G

G

C

V

L

F

I

N

G

C

M

I

Q

Q

E

K

A

A

A

T

K

P

Q

Q

F

M

I

L

R

R

Q

Q

G

R

T

S

F

-

G

G

K

A

I

I

N

N

T
x
L

A
x
S

S
|
S

I

V

A

V

S

G

R

A

Q

V

G

G

F

N

D

P

N

G

V
x
Q

A

A

P

N

Y
|
Y

C

V

A

A

S

T

K
|
K

F

A

G

G

V

V

V

I

A

G

L

L

T

T

Q

K

S

S

G

A

A

A

R

R

D

E

L

L

A

A

K

S

H

R

N

G

I

I

T

T

V

V

T

N

G

A

F

V

A

A

P
|
P

G
|
G

V
x
F

V
x
I

D

V

T

S

E

D

M

M

W

T

E

D

Q

E

V

L

D

K

Q

E

D

Q

L

M

M

L

D

-

I

-

G

-

A

-

E

-

R

-

P

-

G

-

Q

-

A

-

M

-

E

-

F

-

S

-

A

T

D

Q

I

I

L

P

K

L

G

A

R

R

V

F

A

G

K

Q

P

D

Q

T

D

D

I

I

T

A

G

N

T

T

T

V

T

A

F

F

L

L

A

A

A

S

P

D

D

K

S

A

D

K

Y

Y

M

I

T

T

G

G

Q

Q

I

T

V

I

M

H

I

V

D

N

G

G

M

M

T

Y

L

M

active site: G12 (= G17), S138 (= S145), Q148 (≠ V155), Y151 (= Y158), K155 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ A15), R11 (≠ Q16), G12 (= G17), I13 (= I18), N31 (≠ A36), Y32 (≠ D37), A33 (≠ I38), G34 (≠ N39), S35 (≠ G40), A58 (≠ V64), N59 (≠ D65), V60 (= V66), N86 (= N92), A87 (= A93), G88 (= G94), I89 (≠ V95), T109 (≠ V115), L136 (≠ T143), S137 (≠ A144), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), F183 (≠ V190), I184 (≠ V191)

8cxaA Crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from mycobacterium smegmatis with bound NAD
36% identity, 98% coverage: 3:260/263 of query aligns to 2:248/251 of 8cxaA

query
sites
8cxaA

R

R

V

L

S

A

G

N

R

R

S

V

C

A

I

I

V

I

T

T

G
|
G

A

A

A
|
A

Q
|
Q

G
|
G

I
|
I

G

G

R

R

A

I

I

Y

A

A

E

E

A

R

L

F

L

A

D

E

E

E

G

G

A

A

S

A

V

V

C

V

F

V

A

A

D
|
D

I
|
I

N

N

G

E

I

P

K

K

V

A

A

T

E

E

V

V

A

A

S

S

L

S

N

I

R

T

S

S

T

L

H

G

G

G

E

-

S

-

R

R

V

A

T

I

H

A

A

A

Q

A

V
|
V

D
|
D

V
|
V

T

S

D

D

R

V

E

E

T

S

V

V

R

N

A

R

L

M

I

V

D

D

H

S

T

A

V

V

A

E

M

A

F

F

G

G

K

T

L

V

D

D

V

I

K

L

F

V

N

N

N
|
N

A
|
A

G
x
A

V
x
I

N
x
F

K
x
S

P

T

M

L

N

K

-

M

-

K

-

P

F

F

L

E

D

E

V

I

T

S

E

G

E

D

N

E

W

W

R

D

F

K

V

L

N

F

D

A

V
|
V

N

N

G

A

L

K

G

G

C

T

L

F

I

L

G

C

M

C

Q

Q

E

-

A

A

A

V

K

S

Q

P

F

V

I

M

R

R

Q

K

G

N

T

Q

F

Y

G

G

K

R

I

I

N

N

T
x
I

A
x
S

S
|
S

I

S

A

V

S

V

R

V

Q

T

G

G

F

R

D

P

N

N

V

Y

A

A

P

H

Y
|
Y

C

I

A

A

S

S

K
|
K

F

G

G

A

V

V

V

W

A

A

L

L

T

T

Q

H

S

A

G

L

A

A

R

T

D

E

L

M

A

G

K

T

H

D

N

G

I

I

T

T

V

V

T

N

G

T

F

V

A

S

P
|
P

G
x
H

V
x
G

V
x
I

D

I

T

T

E

E

M
x
I

W

P

E

R

Q

E

V

T

D

I

Q

S

D

E

L

-

M

-

D

-

I

-

G

-

A

-

E

E

R

G

P

W

G

R

Q

R

A

N

M

L

E

E

F

-

S

-

A

-

D

Q

I

A

L

L

K

K

G

-

R

R

V

K

A

G

K

D

P

A

Q

S

D

D

I

L

T

V

G

G

T

I

T

L

F

Y

L

L

A

A

A

S

P

D

D

E

S

S

D

K

Y

F

M

M

T

T

G

G

Q

Q

I

T

V

V

M

A

I

L

D

D

G

A

G

G

M

L

binding nicotinamide-adenine-dinucleotide: G12 (= G13), A14 (= A15), Q15 (= Q16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (= I38), V61 (= V64), D62 (= D65), V63 (= V66), N89 (= N92), A90 (= A93), A91 (≠ G94), I92 (≠ V95), F93 (≠ N96), S94 (≠ K97), V115 (= V115), I142 (≠ T143), S143 (≠ A144), S144 (= S145), Y157 (= Y158), K161 (= K162), P187 (= P188), H188 (≠ G189), G189 (≠ V190), I190 (≠ V191), I194 (≠ M195)

Q92506 (3R)-3-hydroxyacyl-CoA dehydrogenase; 17-beta-hydroxysteroid dehydrogenase 8; 17-beta-HSD 8; HSD17B8; 3-ketoacyl-[acyl-carrier-protein] reductase alpha subunit; KAR alpha subunit; 3-oxoacyl-[acyl-carrier-protein] reductase; Estradiol 17-beta-dehydrogenase 8; Protein Ke6; Ke6; Short chain dehydrogenase/reductase family 30C member 1; Testosterone 17-beta-dehydrogenase 8; EC 1.1.1.n12; EC 1.1.1.62; EC 1.1.1.239 from Homo sapiens (Human) (see 2 papers)
33% identity, 95% coverage: 10:260/263 of query aligns to 15:259/261 of Q92506

query
sites
Q92506

I
x
L

V
|
V

T
|
T

G
|
G

A
|
A

A
x
G

Q
x
S

G
|
G

I
|
I

G

G

R

R

A

A

I

V

A

S

E

V

A

R

L

L

L

A

D

G

E

E

G

G

A

A

S

T

V

V

C

A

F

A

A

C

D
|
D

I
x
L

N

D

G

R

I

A

K

A

V

A

A

Q

E

E

V

T

A

V

S

R

L

L

-

L

-

G

N

P

R

G

S

S

T

K

H

E

G

G

E

P

S

P

R

R

V

G

T

N

H

H

A

A

-

A

-

F

Q

Q

V
x
A

D
|
D

V
|
V

T

S

D

E

R

A

E

R

T

A

V

A

R

R

A

C

L

L

I

L

D

E

H

Q

T

V

V

Q

A

A

M

C

F

F

G

S

K

R

L

P

-

P

D

S

V

V

K

V

F

V

N

S

N

C

A

A

G

G

V

I

N

T

K

Q

P

D

M

E

N

F

F

L

L

L

D

H

V

M

T

S

E

E

E

D

N

D

W

W

R

D

F

K

V

V

N

I

D

A

V

V

N

N

G

L

L

K

G

G

C

T

L

F

I

L

G

V

M

T

Q

Q

E

A

A

A

K

Q

Q

A

F

L

I

V

R

S

Q

N

G

G

T

C

F
x
R

G

G

K

S

I

I

N

N

T

I

A

S

S

S

I

I

A
x
V

S

G

R

K

Q

V

G

G

F

N

D

V

N

G

V

Q

A

T

P

N

Y
|
Y

C
x
A

A
|
A

S
|
S

K
|
K

F

A

G

G

V

V

V

I

A

G

L

L

T

T

Q

Q

S

T

G

A

A

A

R

R

D

E

L

L

A

G

K
x
R

H

H

N

G

I

I

T

R

V

C

T

N

G

S

F

V

A

L

P

P

G

G

V

F

V
x
I

D
x
A

T
|
T

E

P

M

M

W

T

E

Q

Q

K

V

V

D

P

Q

Q

D

K

L

V

M

V

D

D

I

-

G

-

A

-

E

-

R

-

P

-

G

-

Q

-

A

-

M

-

E

-

E

K

F

I

S

T

A

E

D

M

I

I

L

P

K

M

G

G

R

H

V

L

A

G

K

D

P

P

Q

E

D

D

I

V

T

A

G

D

T

V

T

A

F

F

L

L

A

A

A

S

P

E

D

D

S

S

D

G

Y

Y

M

I

T

T

G

G

Q

T

I

S

V

V

M

E

I

V

D

T

G

G

M

L

15:23 (vs. 10:18, 67% identical) binding
D42 (= D37) mutation to A: Reduced NADH-dependent reductase activity with acetoacetyl-CoA. Reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Increases NADPH-dependent reductase activities. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
DL 42:43 (≠ DI 37:38) binding
ADV 74:76 (≠ VDV 64:66) binding
R148 (≠ F137) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
V158 (≠ A147) to L: in a breast cancer sample; somatic mutation
Y169 (= Y158) mutation to A: Strongly reduced NADH-dependent reductase activity with acetoacetyl-CoA. Strongly reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Decreases NADPH-dependent reductase activity with acetoacetyl-CoA, but increases NADPH-dependent reductase activity with 9,10-phenanthrene quinone. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
YAASK 169:173 (≠ YCASK 158:162) binding
K173 (= K162) mutation to A: Abolishes NADH-dependent reductase activity with acetoacetyl-CoA. Strongly reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Slightly decreases NADPH-dependent reductase activity with acetoacetyl-CoA, but increases NADPH-dependent reductase activity with 9,10-phenanthrene quinone. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
R189 (≠ K178) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
IAT 202:204 (≠ VDT 191:193) binding

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
32% identity, 99% coverage: 3:262/263 of query aligns to 2:239/239 of 4nbtA

query
sites
4nbtA

R

K

V

L

S

E

G

G

R

K

S

V

C

A

I

V

V

I

T

T

G
|
G

A

G

A

A

Q
x
K

G
|
G

I
x
L

G

G

R

Q

A

A

I

I

A

A

E

L

A

A

L

Y

L

A

D

E

E

E

G

G

A

A

S

K

V

V

C

I

F

A

A

G

D
|
D

I
x
L

N

G

G

D

I

L

K

-

V

-

A

-

E

-

V

-

A

-

S

-

L

-

N

-

R

-

S

-

T

T

H

Y

G

S

E

H

S

P

R

N

V

V

T

E

H

G

A

M

Q

Y

V
x
L

D
x
N

V
|
V

T

T

D

D

R

V

E

T

T

G

V

V

R

E

A

K

L

F

I

Y

D

Q

H

S

T

V

V

I

A

D

M

K

F

Y

G

G

K

K

L

I

D

D

V

I

K

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N

T

K

K

P

D

M

A

N

M

F

T

L

R

D

K

V

M

T

T

E

E

E

A

N

Q

W

W

R

D

F

A

V

V

N

I

D

D

V
|
V

N

N

G

L

L

K

G

G

C

V

L

F

I

N

G

L

M

T

Q

R

E

L

A

V

A

G

K

P

Q

Q

F

M

I

Q

R

T

Q

N

G

G

T

-

F

Y

G

G

K

S

I

I

N

N

T
x
I

A
x
S

S
|
S

I

V

A

V

S

G

R

V

Q

F

G

G

F

N

D

I

N

G

V

Q

A

A

P

N

Y
|
Y

C

A

A

A

S

T

K
|
K

F

A

G

G

V

V

V

I

A

G

L

L

T

T

Q

M

S

T

G

W

A

A

R

K

D

E

L

F

A

A

K

L

H

K

-

G

-

A

N

N

I

V

T

R

V

V

T

N

G

A

F

I

A

A

P
|
P

G
|
G

V
x
Y

V
x
I

D

M

T
|
T

E

D

M

I

W

L

E

K

Q

T

V

V

D

P

Q

Q

D

D

L

L

M

L

D

D

I

-

G

-

A

-

E

-

R

-

P

-

G

-

Q

-

A

-

M

-

E

-

E

K

F

F

S

A

A

A

D

L

I

T

L

M

K

L

G

N

R

R

V

L

A

G

K

Q

P

P

Q

E

D

E

I

I

T

A

G

K

T

V

T

A

T

L

F

F

L

L

A

A

A

S

P

D

D

D

S

A

D

S

Y

Y

M

V

T

T

G

G

Q

Q

I

T

V

I

M

N

I

V

D

N

G

G

M

M

T

R

L

L

active site: G16 (= G17), S132 (= S145), Y145 (= Y158), K149 (= K162)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), K15 (≠ Q16), G16 (= G17), L17 (≠ I18), D36 (= D37), L37 (≠ I38), L52 (≠ V64), N53 (≠ D65), V54 (= V66), N80 (= N92), A81 (= A93), G82 (= G94), I83 (≠ V95), V103 (= V115), I130 (≠ T143), S131 (≠ A144), S132 (= S145), Y145 (= Y158), K149 (= K162), P177 (= P188), G178 (= G189), Y179 (≠ V190), I180 (≠ V191), T182 (= T193)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
32% identity, 98% coverage: 4:262/263 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

V

L

S

Q

G

G

R

K

S

V

C

A

I

V

V

V

T

T

G
|
G

A

G

A
x
S

Q
x
R

G
|
G

I
|
I

G

G

R

R

A

D

I

I

A

A

E

I

A

N

L

L

L

A

D

K

E

E

G

G

A

A

S

N

V

I

C

F

F

F

A
x
N

D
x
Y

I
x
N

N
x
G

G
x
S

I

P

K

E

V

A

A

A

E

E

V

E

A

T

S

A

L

K

N

L

R

V

S

A

T

E

H

H

G

G

E

-

S

V

R

E

V

V

T

E

H

A

A

M

Q

K

V
x
A

D
x
N

V
|
V

T

A

D

I

R

A

E

E

T

D

V

V

R

D

A

A

L

F

I

F

D

K

H

Q

T

A

V

I

A

E

M

R

F

F

G

G

K

R

L

V

D

D

V

I

K

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N

T

K

R

P

D

M

N

N

L

F

L

L

M

D

R

V

M

T

K

E

E

E

D

N

E

W

W

R

D

F

D

V

V

N

I

D

N

V
x
I

N

N

G

L

L

K

G

G

C

T

L

F

I

L

G

C

M

T

Q

K

E

A

A

V

A

S

K

R

Q

T

F

M

I

M

R

K

Q

Q

G

R

T

A

F

-

G

G

K

K

I

I

N

N

T

M

A
|
A

S
|
S

I

V

A

V

S

G

R

L

Q

I

G

G

F

N

D

A

N

G

V
x
Q

A

A

P

N

Y
|
Y

C

V

A

A

S

S

K
|
K

F

A

G

G

V

V

V

I

A

G

L

L

T

T

Q

K

S

T

G

T

A

A

R

R

D

E

L

L

A

A

K

P

H

R

N

G

I

I

T

N

V

V

T

N

G

A

F

V

A

A

P
|
P

G
|
G

V

F

V
x
I

D

T

T
|
T

E

D

M

M

W

T

E

D

Q

K

V

L

D

D

Q

E

D

-

L

-

M

-

D

-

I

-

G

-

A

-

E

-

R

-

P

-

G

-

Q

K

A

T

M

K

E

E

E

A

F

M

S

L

A

A

D

Q

I

I

L

P

K

L

G

G

R

A

V

Y

A

G

K

T

P

T

Q

E

D

D

I

I

T

A

G

N

T

A

T

V

T

L

F

F

L

L

A

A

A

S

P

D

D

A

S

S

D

K

Y

Y

M

I

T

T

G

G

Q

Q

I

T

V

L

M

S

I

V

D

D

G

G

M

M

T

V

L

M

active site: G16 (= G17), S142 (= S145), Q152 (≠ V155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (≠ Q16), G16 (= G17), I17 (= I18), N35 (≠ A36), Y36 (≠ D37), N37 (≠ I38), G38 (≠ N39), S39 (≠ G40), A62 (≠ V64), N63 (≠ D65), V64 (= V66), N90 (= N92), A91 (= A93), G92 (= G94), I93 (≠ V95), I113 (≠ V115), A141 (= A144), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), I188 (≠ V191), T190 (= T193)

5ojiA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
34% identity, 98% coverage: 3:260/263 of query aligns to 7:256/260 of 5ojiA

query
sites
5ojiA

R

R

V

F

S

E

G

G

R

K

S

V

C

A

I

I

V

V

T

T

G
x
A

A
|
A

A
x
T

Q
x
K

G
|
G

I
|
I

G

G

R

L

A

A

I

I

A

A

E

E

A

R

L

L

D

D

E

E

G

G