SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 351439 BT1911 7-alpha-hydroxysteroid dehydrogenase (NCBI ptt file) 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)

G9FRD7 7alpha-hydroxysteroid dehydrogenase; 7alpha-HSDH; NADP-dependent 7alpha-hydroxysteroid dehydrogenase; EC 1.1.1.- from Clostridium sardiniense (Clostridium absonum) (see 2 papers)
37% identity, 98% coverage: 1:254/259 of query aligns to 1:254/262 of G9FRD7

query
sites
G9FRD7

M

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SSTRGI 13:18 (≠ GAAGGI 13:18) binding
R38 (≠ L38) binding ; mutation to D: Loss of catalytic activity.
NA 63:64 (≠ SA 63:64) binding
N90 (= N90) binding
T145 (≠ S145) binding
Y158 (= Y158) binding ; binding
K162 (= K162) binding
IGTRA 191:195 (≠ VLTPA 191:195) binding

Sites not aligning to the query:

261:262 mutation Missing: 5-fold reduction in catalytic efficiency.

5epoA The three-dimensional structure of clostridium absonum 7alpha- hydroxysteroid dehydrogenase (see paper)
37% identity, 98% coverage: 2:254/259 of query aligns to 1:253/261 of 5epoA

query
sites
5epoA

K

K

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active site: G16 (= G17), T144 (≠ S145), I152 (≠ A153), Y157 (= Y158), K161 (= K162), R193 (≠ P194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S12 (≠ G13), T14 (≠ A15), R15 (≠ G16), G16 (= G17), I17 (= I18), R37 (≠ L38), F61 (= F62), N62 (≠ S63), N89 (= N90), Y90 (≠ V91), G91 (= G92), Y157 (= Y158), K161 (= K162), P187 (= P188), G188 (= G189), I190 (≠ V191), T192 (= T193), R193 (≠ P194), A194 (= A195), A195 (= A196)
binding taurochenodeoxycholic acid: T93 (= T94), T144 (≠ S145), G146 (≠ S147), R154 (≠ G155), Y157 (= Y158), G188 (= G189), N198 (= N199), M199 (≠ L200), F203 (≠ V204)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 97% coverage: 1:251/259 of query aligns to 2:244/244 of 4nbuB

query
sites
4nbuB

M

M

K

S

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D

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K

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x
N

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I

G

G

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active site: G18 (= G17), N111 (= N117), S139 (= S145), Q149 (≠ G155), Y152 (= Y158), K156 (= K162)
binding acetoacetyl-coenzyme a: D93 (= D99), K98 (= K104), S139 (= S145), N146 (≠ D152), V147 (≠ A153), Q149 (≠ G155), Y152 (= Y158), F184 (≠ L190), M189 (≠ A196), K200 (≠ I207)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ G16), G18 (= G17), I19 (= I18), D38 (= D37), F39 (≠ L38), V59 (≠ F62), D60 (≠ S63), V61 (≠ A64), N87 (= N90), A88 (≠ V91), G89 (= G92), I90 (≠ G93), T137 (≠ V143), S139 (= S145), Y152 (= Y158), K156 (= K162), P182 (= P188), F184 (≠ L190), T185 (≠ V191), T187 (= T193), M189 (≠ A196)

H9XP47 Meso-2,3-butanediol dehydrogenase; BDH; meso-2,3-BDH; (R,S)-butane-2,3-diol dehydrogenase; NAD(H)-dependent meso-2,3-BDH; SmBdh; EC 1.1.1.- from Serratia marcescens (see paper)
38% identity, 96% coverage: 3:250/259 of query aligns to 2:242/251 of H9XP47

query
sites
H9XP47

R

R

F

F

E

D

N

N

K

K

V

V

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T

T

G

G

A

A

A

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N

G

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D

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C

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S

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x
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S

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G

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G

D

D

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G

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Y

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F

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L

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N15 (≠ G16) binding
M17 (≠ I18) binding
D36 (= D37) binding
D60 (≠ S63) binding
V61 (≠ A64) binding
N87 (= N90) binding
S138 (= S145) binding ; binding
V139 (≠ I146) mutation to Q: Retains 50% of activity with acetoin as substrate; when associated with A-247.
S140 (= S147) binding
Y151 (= Y158) binding ; binding ; binding
K155 (= K162) binding
V184 (= V191) binding
T186 (= T193) binding
RDK 197:199 (≠ RNI 205:207) mutation to SEAAGKPLGYGTET: Mimics longer alpha6 helix. Retains 3% of activity with acetoin as substrate.

Sites not aligning to the query:

247 Q→A: Retains 10% of activity with acetoin as substrate. Retains 50% of activity with acetoin as substrate; when associated with Q-139.

6vspA Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
38% identity, 96% coverage: 3:250/259 of query aligns to 2:242/251 of 6vspA

query
sites
6vspA

R

R

F

F

E

D

N

N

K

K

V

V

I

I

T

T

G
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G

A

A

A

G

G
x
N

G
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G

I
x
M

G

G

E

E

A

A

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A

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R

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S

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E

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G

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D

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A

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K

A

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G

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G

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D

V

V

L

L

I

L

N

N

N
|
N

V
x
A

G
|
G

G

-

T

-

D

-

P
x
V

K

H

R

V

D

A

L

G

N

S

I

V

E

L

K

E

L

T

D

S

I

I

D

D

Y

D

F

W

D

R

E

R

V

I

F

A

H

G

L
x
V

N

D

L

I

C

D

C

G

T

V

M

V

Y

F

L

C

S

S

Q

K

Q

F

V

A

I

L

P

P

-

H

I

L

M

L

T

K

T

T

H

K

G

-

G

G

N

C

I

I

V

V

N

N

V
x
T

A

A

S
|
S

I

V

S

S

G

G

L

L

T

G

A

G

D

D

A

W

N

G

G

A

T

A

L

Y

Y
|
Y

G

C

A

A

S

A

K
|
K

A

G

G

A

V

V

I

V

N

N

L

L

T

T

K

R

Y

A

I

M

A

A

T

L

Q

D

M

H

G

G

K

G

K

D

N

G

I

V

R

R

C

I

N

N

A

S

V

V

A

C

P
|
P

G
x
S

L
|
L

V
|
V

L

K

T
|
T

P
x
N

A
x
M

A
x
T

L

-

D

N

N

G

L

W

N

P

E

Q

E

E

V

I

R

R

N

D

I

K

F

F

L

N

G

E

Q

R

C

I

A

A

T

L

P

G

Y

R

L

A

G

A

E

E

P

P

E

E

D

E

V

V

A

A

T

V

I

M

A

A

F

F

L

L

A

A

S

S

N

D

D

D

A

A

R

S

Y

F

I

I

T

N

G

G

Q

A

T

N

I

I

V

P

V

V

D

D

G

G

L

A

T

T

active site: G16 (= G17), S138 (= S145), Y151 (= Y158)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ G16), G16 (= G17), M17 (≠ I18), D36 (= D37), W37 (≠ L38), W37 (≠ L38), A38 (≠ S39), I59 (≠ F62), D60 (≠ S63), V61 (≠ A64), N87 (= N90), A88 (≠ V91), G89 (= G92), V90 (≠ P96), V110 (≠ L116), T136 (≠ V143), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), S182 (≠ G189), L183 (= L190), V184 (= V191), T186 (= T193), N187 (≠ P194), M188 (≠ A195), T189 (≠ A196)

6xewA Structure of serratia marcescens 2,3-butanediol dehydrogenase (see paper)
38% identity, 96% coverage: 3:250/259 of query aligns to 2:242/251 of 6xewA

query
sites
6xewA

R

R

F

F

E

D

N

N

K

K

V

V

I

I

T

T

G
|
G

A

A

A

G

G
x
N

G
|
G

I
x
M

G

G

E

E

A

A

T

A

R

R

I

F

V

S

S

A

E

E

G

G

G

A

K

I

V

V

I

L

A

A

D
|
D

L
x
W

S
x
A

Q

K

E

E

R

A

A

V

D

D

K

K

L

V

A

A

E

S

L

L

T

P

Q

K

A

G

G

R

A

A

D

-

V

-

R

M

P

A

I

V

Y

H

F
x
I

S
x
D

A
x
V

T

S

E

D

L

H

Q

V

S

A

C

V

K

E

E

K

L

M

V

M

D

N

F

E

A

V

M

A

K

E

E

K

Y

L

G

G

Q

R

I

I

D

D

V

V

L

L

I

L

N

N

N
|
N

V
x
A

G
|
G

G

-

T

-

D

-

P

V

K

H

R

V

D

A

L

G

N

S

I

V

E

L

K

E

L

T

D

S

I

I

D

D

Y

D

F

W

D

R

E

R

V

I

F

A

H

G

L
x
V

N

D

L

I

C

D

C

G

T

V

M

V

Y

F

L

C

S

S

Q

K

Q

F

V

A

I

L

P

P

-

H

I

L

M

L

T

K

T

T

H

K

G

-

G

G

N

C

I

I

V

V

N

N

V
x
T

A

A

S
|
S

I

V

S
|
S

G

G

L

L

T

G

A

G

D

D

A

W

N

G

G

A

T

A

L

Y

Y
|
Y

G

C

A

A

S

A

K
|
K

A

G

G

A

V

V

I

V

N

N

L

L

T

T

K

R

Y

A

I

M

A

A

T

L

Q

D

M

H

G

G

K

G

K

D

N

G

I

V

R

R

C

I

N

N

A

S

V

V

A

C

P

P

G
x
S

L
|
L

V
|
V

L

K

T
|
T

P
x
N

A
x
M

A
x
T

L

-

D

N

N

G

L

W

N

P

E

Q

E

E

V

I

R

R

N

D

I

K

F

F

L

N

G

E

Q

R

C

I

A

A

T

L

P

G

Y

R

L

A

G

A

E

E

P

P

E

E

D

E

V

V

A

A

T

V

I

M

A

A

F

F

L

L

A

A

S

S

N

D

D

D

A

A

R

S

Y

F

I

I

T

N

G

G

Q

A

T

N

I

I

V

P

V

V

D

D

G

G

L

A

T

T

active site: G16 (= G17), S138 (= S145), Y151 (= Y158)
binding r,3-hydroxybutan-2-one: S138 (= S145), S140 (= S147), Y151 (= Y158)
binding s,3-hydroxybutan-2-one: S138 (= S145), Y151 (= Y158), S182 (≠ G189)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ G16), G16 (= G17), M17 (≠ I18), D36 (= D37), W37 (≠ L38), W37 (≠ L38), A38 (≠ S39), I59 (≠ F62), D60 (≠ S63), V61 (≠ A64), N87 (= N90), A88 (≠ V91), G89 (= G92), V110 (≠ L116), T136 (≠ V143), S138 (= S145), Y151 (= Y158), K155 (= K162), S182 (≠ G189), L183 (= L190), V184 (= V191), T186 (= T193), N187 (≠ P194), M188 (≠ A195), T189 (≠ A196)

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
38% identity, 96% coverage: 3:250/259 of query aligns to 4:244/252 of 6vspB

query
sites
6vspB

R

R

F

F

E

D

N

N

K

K

V

V

I

I

T

T

G
|
G

A

A

A

G

G
x
N

G
|
G

I

M

G

G

E

E

A

A

T

A

R

R

I

F

V

S

S

A

E

E

G

G

G

A

K

I

V

V

I

L

A

A

D
|
D

L
x
W

S

A

Q

K

E

E

R

A

A

V

D

D

K

K

L

V

A

A

E

S

L

L

T

P

Q

K

A

G

G

R

A

A

D

-

V

-

R

M

P

A

I

V

Y

H

F
x
I

S
x
D

A
x
V

T

S

E

D

L

H

Q

V

S

A

C

V

K

E

E

K

L

M

V

M

D

N

F

E

A

V

M

A

K

E

E

K

Y

L

G

G

Q

R

I

I

D

D

V

V

L

L

I

L

N

N

V

A

G
|
G

G

-

T

-

D

-

P

V

K

H

R

V

D

A

L

G

N

S

I

V

E

L

K

E

L

T

D

S

I

I

D

D

Y

D

F

W

D

R

E

R

V

I

F

A

H

G

L

V

N

D

L

I

C

D

C

G

T

V

M

V

Y

F

L

C

S

S

Q

K

Q

F

V

A

I

L

P

P

-

H

I

L

M

L

T

K

T

T

H

K

G

-

G

G

N

C

I

I

V

V

N

N

V

T

A

A

S
|
S

I

V

S

S

G

G

L

L

T

G

A

G

D

D

A

W

N

G

G

A

T

A

L

Y

Y
|
Y

G

C

A

A

S

A

K

K

A

G

G

A

V

V

I

V

N

N

L

L

T

T

K

R

Y

A

I

M

A

A

T

L

Q

D

M

H

G

G

K

G

K

D

N

G

I

V

R

R

C

I

N

N

A

S

V

V

A

C

P

P

G

S

L

L

V

V

L

K

T

T

P

N

A

M

A

T

L

-

D

N

N

G

L

W

N

P

E

Q

E

E

V

I

R

R

N

D

I

K

F

F

L

N

G

E

Q

R

C

I

A

A

T

L

P

G

Y

R

L

A

G

A

E

E

P

P

E

E

D

E

V

V

A

A

T

V

I

M

A

A

F

F

L

L

A

A

S

S

N

D

D

D

A

A

R

S

Y

F

I

I

T

N

G

G

Q

A

T

N

I

I

V

P

V

V

D

D

G

G

L

A

T

T

active site: G18 (= G17), S140 (= S145), Y153 (= Y158)
binding adenosine-5'-diphosphate: G14 (= G13), N17 (≠ G16), D38 (= D37), W39 (≠ L38), I61 (≠ F62), D62 (≠ S63), V63 (≠ A64), G91 (= G92)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
36% identity, 97% coverage: 2:251/259 of query aligns to 1:239/239 of 4nbtA

query
sites
4nbtA

K

K

R

K

F

L

E

E

N

G

K

K

V

V

V

A

V

V

I

I

T

T

G
|
G

A

G

A

A

G
x
K

G
|
G

I
x
L

G

G

E

Q

A

A

T

I

T

A

R

L

R

A

I

Y

V

A

S

E

E

E

G

G

G

A

K

K

V

V

V

I

I

A

A

G

D
|
D

L
|
L

S

-

Q

-

E

-

R

-

A

-

D

-

K

-

L

-

A

-

A

G

E

D

L

L

T

T

Q

Y

A

S

G

H

A

P

D

N

V

V

R

E

P

G

I

M

Y

Y

F
x
L

S
x
N

A
x
V

T

T

E

D

L

V

Q

T

S

G

C

V

K

E

E

K

L

F

V

Y

D

Q

F

S

A

V

M

I

K

D

E

K

Y

Y

G

G

Q

K

I

I

D

D

V

I

L

L

I

V

N

N

N
|
N

V
x
A

G
|
G

G

I

T

T

D

-

P

-

K

-

R

K

D

D

L

A

N

M

I

T

E

R

K

K

L

M

D

T

I

E

D

A

Y

Q

F

W

D

D

E

A

V

V

F

I

H

D

L

V

N

N

L

L

C

K

C

G

T

V

M

F

Y

N

L

L

S

T

Q

R

Q

L

V

V

I

G

P

P

I

Q

M

M

T

Q

T

T

H

N

G

G

G

Y

G

G

N

S

I

I

V

I

N

N

V
x
I

A

S

S
|
S

I

V

S

V

G

G

L

V

T

F

A

G

D

N

A

I

N

G

G

Q

T

A

L

N

Y
|
Y

G

A

A

A

S

T

K
|
K

A

A

G

G

V

V

I

I

N

G

L

L

T

T

K

M

Y

T

I

W

A

A

T

K

Q

E

M

F

G

A

K

L

K

K

-

G

-

A

N

N

I

V

R

R

C

V

N

N

A

A

V

I

A

A

P
|
P

G
|
G

L

Y

V
x
I

L

M

T
|
T

P

D

A

-

A

I

L

L

D

K

N

T

L

V

N

P

E

Q

E

D

V

L

R

L

N

D

I

K

F

F

L

A

G

A

Q

L

C

T

A

M

T

L

P

N

Y

R

L

L

G

G

E

Q

P

P

E

E

D

E

V

I

A

A

A

K

T

V

I

A

A

L

F

F

L

L

A

A

S

S

N

D

D

D

A

A

R

S

Y

Y

I

V

T

T

G

G

Q

Q

T

T

I

I

V

N

V

V

D

N

G

G

L

M

T

R

I

L

active site: G16 (= G17), S132 (= S145), Y145 (= Y158), K149 (= K162)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), K15 (≠ G16), G16 (= G17), L17 (≠ I18), D36 (= D37), L37 (= L38), L52 (≠ F62), N53 (≠ S63), V54 (≠ A64), N80 (= N90), A81 (≠ V91), G82 (= G92), I130 (≠ V143), S132 (= S145), Y145 (= Y158), K149 (= K162), P177 (= P188), G178 (= G189), I180 (≠ V191), T182 (= T193)

7krmC Putative fabg bound to nadh from acinetobacter baumannii
37% identity, 96% coverage: 4:252/259 of query aligns to 3:244/244 of 7krmC

query
sites
7krmC

F

L

E

Q

N

G

K

K

V

V

V

A

V

L

I

I

T

T

G
|
G

A

A

G
x
S

-

E

-

R

G
|
G

I
|
I

G

G

E

R

A

A

T

T

T

A

R

E

R

I

I

F

V

A

S

Q

E

Q

G

G

G

A

K

K

V

V

V

I

I

I

A

V

D
|
D

L
|
L

S

D

Q

L

E

A

R

Q

A

S

D

Q

K

N

L

A

A

A

A

K

E

A

L

L

T

-

Q

-

A

-

G

G

A

E

D

G

V

H

R

M

P

G

I

L

Y

A

F
x
A

S
x
N

A
x
V

T

A

E

N

L

E

Q

E

S

Q

C

V

K

K

E

A

L

A

V

V

D

E

F

Q

A

A

M

L

K

Q

E

H

Y

Y

G

G

Q

K

I

I

D

D

V

I

L

L

I

I

N

N

N
|
N

V

A

G

G

G

I

T

T

D

Q

P

P

K

I

R

K

D

T

L

L

N

D

I

I

E

Q

K

R

L

S

D

D

I

-

D

-

Y

-

F

Y

D

D

E

R

V

V

F

L

H

D

L
x
V

N

S

L

L

C

R

C

G

T

T

M

L

Y

I

L

M

S

S

Q

Q

Q

A

V

V

I

I

P

P

I

S

M

M

T

K

T

A

H

N

G

G

N

S

I

I

V

V

N

C

V

L

A

S

S
|
S

I

V

S

S

G

A

L

Q

T

R

A

G

D

G

A

G

-

I

-

F

N

G

G

G

T

P

L

H

Y
|
Y

G

S

A

A

S

A

K
|
K

A

A

G

G

V

V

I

L

N

G

L

L

T

A

K

K

Y

A

I

M

A

A

T

R

Q

E

M

F

G

G

K

G

K

D

N

Q

I

I

R

R

C

V

N

N

A

S

V

L

A

T

P

P

G

G

L

L

V
x
I

L

Q

T
|
T

P

-

A

-

L

-

D

-

N

D

L

M

N

N

E

D

V

R

R

R

N

H

I

D

F

I

L

L

G

A

Q

G

C

I

A

P

T

L

P

G

Y

R

L

L

G

G

E

K

P

A

E

Q

D

D

V

V

A

A

A

N

T

A

I

A

A

L

F

F

L

L

A

A

S

S

N

D

D

L

A

S

R

A

Y

Y

I

L

T

T

G

G

Q

V

T

T

I

L

V

D

V

V

D

N

G

G

L

M

T

L

I

I

H

H

active site: G18 (= G17), S140 (= S145), Y155 (= Y158)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (≠ G16), G18 (= G17), I19 (= I18), D38 (= D37), L39 (= L38), A60 (≠ F62), N61 (≠ S63), V62 (≠ A64), N88 (= N90), V111 (≠ L116), S140 (= S145), Y155 (= Y158), K159 (= K162), I188 (≠ V191), T190 (= T193)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
35% identity, 97% coverage: 2:251/259 of query aligns to 3:253/254 of 4fn4A

query
sites
4fn4A

K

Q

R

S

F

L

E

K

N

N

K

K

V

V

V

I

I

V

T

T

G
|
G

A

A

A

G

G
x
S

G
|
G

I
|
I

G

G

E

R

A

A

T

I

T

A

R

K

I

F

V

A

S

L

E

N

G

D

G

S

K

I

V

V

I

A

A

V

D
x
E

L
|
L

S

L

Q

E

E

D

R
|
R

A

L

D

N

K

Q

L

I

A

V

A

Q

E

E

L

L

T

R

Q

G

A

M

G

G

A

K

D

E

V

V

R

L

P

G

I

V

Y

K

F
x
A

S
x
D

A
x
V

T

S

E

K

L

K

Q

K

S

D

C

V

K

E

E

E

L

F

V

V

D

R

F

R

A

T

M

F

K

E

E

T

Y

Y

G

S

Q

R

I

I

D

D

V

V

L

L

I

C

N

N

N
|
N

V

A

G
|
G

-
x
I

-

M

-

D

G

G

T

V

D

T

P

P

K

-

R

-

D

-

L

-

N

-

I

V

E

A

K

E

L

V

D

S

I

D

D

E

Y

L

F

W

D

E

E

R

V

V

F

L

H

A

L

V

N

N

L

L

C

Y

C

S

T

A

M

F

Y

Y

L

S

S

S

Q

R

Q

A

V

V

I

I

P

P

I

I

M

M

T

L

T

K

H

Q

G

G

G

K

G

G

N

V

I

I

V

V

N

N

V
x
T

A

A

S
|
S

I

I

S

A

G

G

L

I

T

R

A

G

D

G

A

F

N

A

G

G

T

A

L

P

Y
|
Y

G

T

A

V

S

A

K
|
K

A

H

G

G

V

L

I

I

N

G

L

L

T

T

K

R

Y

S

I

I

A

A

T

A

Q

H

M

Y

G

G

K

D

K

Q

N

G

I

I

R

R

C

A

N

V

A

A

V

V

A

L

P
|
P

G

G

L

T

V
|
V

L

K

T
|
T

P
x
N

A
x
I

A

G

L

L

D

G

N

S

L

S

N

K

E

P

E
x
S

-

E

-

L

-

G

V

M

R

R

N

T

I

L

F

T

L

K

G

L

Q

M

C

S

A

L

T

S

P

S

Y

R

L

L

G

A

E

E

P

P

E

E

D

D

V

I

A

A

A

N

T

V

I

I

A

V

F

F

L

L

A

A

S

S

N

D

D

E

A

A

R

S

Y

F

I

V

T

N

G

G

Q

D

T

A

I

V

V

V

D

D

G

G

L

L

T

T

I

V

active site: G18 (= G17), S144 (= S145), Y157 (= Y158), K161 (= K162), S202 (≠ E203)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (≠ G16), G18 (= G17), I19 (= I18), E38 (≠ D37), L39 (= L38), R43 (= R42), A63 (≠ F62), D64 (≠ S63), V65 (≠ A64), N91 (= N90), G93 (= G92), I94 (vs. gap), T142 (≠ V143), S144 (= S145), Y157 (= Y158), K161 (= K162), P187 (= P188), V190 (= V191), T192 (= T193), N193 (≠ P194), I194 (≠ A195)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
33% identity, 95% coverage: 4:250/259 of query aligns to 3:246/248 of 6ixmC

query
sites
6ixmC

F

L

E

D

N

N

K

K

V

V

V

A

V

L

I

V

T

T

G
|
G

A

A

A

G

G
x
S

G
|
G

I
|
I

G

G

E

L

A

A

T

V

T

A

R

H

R

S

I

Y

V

A

S

K

E

E

G

G

G

A

K

K

V

V

V

I

I

V

A

S

D
|
D

L
x
I

S

N

Q

E

E

D

R

H

A

G

D

N

K

K

L

A

A

V

A

E

E

D

L

I

T

K

Q

A

A

Q

G

G

A

G

D

E

V

A

R

S

P

F

I

V

Y

K

F
x
A

S
x
D

A
x
T

T

S

E

N

L

P

Q

E

S

E

C

V

K

E

E

A

L

L

V

V

D

K

F

R

A

T

M

V

K

E

E

I

Y

Y

G

G

Q

R

I

L

D

D

V

I

L

A

I

C

N

N

N
|
N

V
x
A

G

G

G

-

T

I

D

G

P

G

K

E

R

Q

D

A

L

L

N

A

I

G

E

D

K

-

L

Y

D

G

I

L

D

D

Y

S

F

W

D

R

E

K

V

V

F

L

H

S

L

I

N

N

L

L

C

D

C

G

T

V

M

F

Y

Y

L

G

S

C

Q

K

Q

Y

V

E

I

L

P

E

I

Q

M

M

T

E

T

K

H

N

G

G

N

V

I

I

V

V

N

N

V
x
M

A

A

S
|
S

I

I

S

H

G

G

L

I

T

V

A

A

D

A

A

P

N

L

G

S

T

S

L

A

Y
|
Y

G

T

A

S

S

A

K
|
K

A

H

G

A

V

V

I

V

N

G

L

L

T

T

K

K

Y

N

I

I

A

G

T

A

Q

E

M

Y

G

G

K

Q

K

K

N

N

I

I

R

R

C

C

N

N

A

A

V

V

A

G

P
|
P

G
x
A

L
x
Y

V
x
I

L

E

T

T

P

P

A

-

A
x
L

L

L

D

E

N

S

L

L

N

T

E

K

E

E

V

M

R

K

N

E

I

A

F

L

L

I

G

S

Q

K

C

H

A

P

T

M

P

G

Y

R

L

L

G

G

E

K

P

P

E

E

D

E

V

V

A

A

A

E

T

L

I

V

A

L

F

F

L

L

A

S

S

S

N

E

D

K

A

S

R

S

Y

F

I

M

T

T

G

G

Q

G

T

Y

I

Y

V

L

V

V

D

D

G

G

L

Y

T

T

active site: G16 (= G17), S142 (= S145), Y155 (= Y158), K159 (= K162)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (≠ G16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (≠ L38), A61 (≠ F62), D62 (≠ S63), T63 (≠ A64), N89 (= N90), A90 (≠ V91), M140 (≠ V143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), A186 (≠ G189), Y187 (≠ L190), I188 (≠ V191), L192 (≠ A196)

8cxaA Crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from mycobacterium smegmatis with bound NAD
32% identity, 95% coverage: 3:249/259 of query aligns to 2:248/251 of 8cxaA

query
sites
8cxaA

R

R

F

L

E

A

N

N

K

R

V

V

V

A

V

I

I

I

T

T

G
|
G

A

A

G
x
Q

G
|
G

I
|
I

G

G

E

R

A

I

T

Y

T

A

R

E

R

R

I

F

V

A

S

E

E

E

G

G

G

A

K

A

V

V

I

V

A

A

D
|
D

L

I

S

N

Q

E

E

P

R

K

A

A

D

T

K

E

L

V

A

A

A

S

E

S

L

I

T

T

Q

S

A

L

G

G

A

G

D

R

V

A

R

I

P

A

I

A

Y

A

F

V

S

D

A
x
V

T

S

E

D

L

V

Q

E

S

S

C

V

K

N

E

R

L

M

V

V

D

D

F

S

A

A

M

V

K

E

E

A

Y

F

G

G

Q

T

I

V

D

D

V

I

L

L

I

V

N

N

N
|
N

V

A

G
x
A

G

I

T

F

D
x
S

P

T

K

L

R

K

D

M

L

K

N

P

I

F

E

E

K

E

L

I

D

S

I

G

D

D

Y

E

F

W

D

D

E

K

V

L

F

F

H

A

L

V

N

N

L

A

C

K

C

G

T

T

M

F

Y

L

L

C

S

C

Q

Q

Q

A

V

V

I

S

P

P

I

V

M

M

T

R

T

K

H

N

G

Q

G

Y

G

G

N

R

I

I

V

I

N

N

V
x
I

A
x
S

S
|
S

I

S

S

V

G

V

L

V

T

T

A

G

D

R

A

P

N

N

G

Y

T

A

L

H

Y
|
Y

G

I

A

A

S

S

K
|
K

A

G

G

A

V

V

I

W

N

A

L

L

T

T

K

H

Y

A

I

L

A

A

T

T

Q

E

M

M

G

G

K

T

K

D

N

G

I

I

R

T

C

V

N

N

A

T

V

V

A

S

P
|
P

G
x
H

L

G

V
x
I

L

I

T

T

P

E

A
x
I

A

P

L

R

D

E

N

T

L

I

N

S

E

E

V

G

R

W

N

R

I

R

F

N

L

L

G

E

Q

E

C

Q

A

A

T

L

P

K

Y

R

L

K

G

G

E

D

P

A

E

S

D

D

V

L

A

V

A

G

T

I

I

L

A

L

F

Y

L

L

A

A

S

S

N

D

D

E

A

S

R

K

Y

F

I

M

T

T

G

G

Q

Q

T

T

I

V

V

A

V

L

D

D

G

A

G

G

L

L

binding nicotinamide-adenine-dinucleotide: G12 (= G13), Q15 (≠ G16), G16 (= G17), I17 (= I18), D36 (= D37), V63 (≠ A64), N89 (= N90), A91 (≠ G92), S94 (≠ D95), I142 (≠ V143), S143 (≠ A144), S144 (= S145), Y157 (= Y158), K161 (= K162), P187 (= P188), H188 (≠ G189), I190 (≠ V191), I194 (≠ A195)

2zatA Crystal structure of a mammalian reductase (see paper)
33% identity, 95% coverage: 2:248/259 of query aligns to 1:246/251 of 2zatA

query
sites
2zatA

K

K

R

P

F

L

E

E

N

N

K

K

V

V

V

A

V

L

I

V

T

T

G
x
A

A

S

A
x
T

G
x
D

G
|
G

I
|
I

G

G

E

L

A

A

T

I

T

A

R

R

I

L

V

A

S

Q

E

D

G

G

G

A

K

H

V

V

I

V

A

S

D
x
S

L
x
R

S
x
K

Q

Q

E

E

R
x
N

A

V

D

D

K

R

L

T

A

V

A

A

E

T

L

L

T

Q

Q

G

A

E

G

G

A

L

D

S

V

V

R

T

P

G

I

T

Y

V

F

C

S
x
H

A

V

T

G

E

K

L

A

Q

E

S

D

C

R

K

E

E

R

L

L

V

V

D

A

F

M

A

A

M

V

K

N

E

L

Y

H

G

G

Q

G

I

V

D

D

V

I

L

L

I

V

N

S

N
|
N

V

-

G

A

G
x
A

T

V

D

N

P

P

K

F

R

F

D

G

L

-

N

N

I

I

E

I

K

D

L

A

D

T

I

E

D

E

Y

V

F

W

D

D

E

K

V

I

F

L

H

H

L

V

N

N

L

V

C

K

C

A

T

T

M

V

Y

L

L

M

S

T

Q

K

Q

A

V

V

I

V

P

P

I

E

M

M

T

E

T

K

H

R

G

G

N

S

I

V

V

L

N

I

V
|
V

A

S

S
|
S

I

V

S

G

G

A

L

Y

T

H

A

P

D

F

A

P

N

N

G
x
L

T

G

L

P

Y
|
Y

G

N

A

V

S

S

K
|
K

A

T

G

A

V

L

I

L

N

G

L

L

T

T

K

K

Y

N

I

L

A

A

T

V

Q

E

M

L

G

A

K

P

K

R

N

N

I

I

R

R

C

V

N

N

A

C

V

L

A

A

P
|
P

G
|
G

L

L

V
x
I

L

K

T
|
T

P

N

A
x
F

A
x
S

L

Q

D

V

N

L

L

W

N

M

E

D

E
x
K

V

A

R

R

N

K

I

E

F

Y

L

M

G

K

Q

E

C

S

-

L

A

R

T

I

P

R

Y

R

L

L

G

G

E

N

P

P

E

E

D

D

V

C

A

A

A

G

T

I

I

V

A

S

F

F

L

L

A

C

S

S

N

E

D

D

A

A

R

S

Y

Y

I

I

T

T

G

G

Q

E

T

T

I

V

V

V

D

G

G

G

active site: G16 (= G17), S142 (= S145), L152 (≠ G155), Y155 (= Y158), K159 (= K162), K200 (≠ E203)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A12 (≠ G13), T14 (≠ A15), D15 (≠ G16), G16 (= G17), I17 (= I18), S36 (≠ D37), R37 (≠ L38), K38 (≠ S39), N41 (≠ R42), H62 (≠ S63), N89 (= N90), A91 (≠ G93), V140 (= V143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), I188 (≠ V191), T190 (= T193), F192 (≠ A195), S193 (≠ A196)

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)
33% identity, 95% coverage: 2:248/259 of query aligns to 29:274/279 of Q8WNV7

query
sites
Q8WNV7

K

K

R

P

F

L

E

E

N

N

K

K

V

V

V

A

V
x
L

I
x
V

T
|
T

G
x
A

A
x
S

A
x
T

G
x
D

G
|
G

I
|
I

G
|
G

E
x
L

A
|
A

T
x
I

T
x
A

R
|
R

I
x
L

V
x
A

S
x
Q

E
x
D

G
|
G

G
x
A

K
x
H

V
|
V

I

V

A

S

D

S

L

R

S

K

Q

Q

E

E

R

N

A

V

D

D

K

R

L

T

A

V

A

A

E

T

L

L

T

Q

Q

G

A

E

G

G

A

L

D

S

V

V

R

T

P

G

I

T

Y

V

F

C

S

H

A

V

T

G

E

K

L

A

Q

E

S

D

C

R

K

E

E

R

L

L

V

V

D

A

F

M

A

A

M

V

K

N

E

L

Y

H

G

G

Q

G

I

V

D

D

V

I

L

L

I

V

N

S

N

N

V

-

G

A

T

V

D

N

P

P

K

F

R

F

D

G

L

-

N

N

I

I

E

I

K

D

L

A

D

T

I

E

D

E

Y

V

F

W

D

D

E

K

V

I

F

L

H

H

L

V

N

N

L

V

C

K

C

A

T

T

M

V

Y

L

L

M

S

T

Q

K

Q

A

V

V

I

V

P

P

I

E

M

M

T

E

T

K

H

R

G

G

N

S

I

V

V

L

N

I

V

V

A

S

S

S

I

V

S

G

G

A

L

Y

T

H

A

P

D
x
F

A

P

N

N

G
x
L

T

G

L

P

Y
|
Y

G

N

A

V

S

S

K
|
K

A

T

G

A

V

L

I

L

N

G

L

L

T

T

K

K

Y
x
N

I

L

A

A

T

V

Q

E

M

L

G

A

K

P

K

R

N

N

I

I

R

R

C

V

N

N

A

C

V

L

A

A

P

P

G

G

L

L

V

I

L

K

T

T

P

N

A

F

A

S

L

Q

D

V

N

L

L

W

N

M

E

D

E

K

V

A

R

R

N

K

I

E

F

Y

L

M

G

K

Q

E

C

S

-

L

A

R

T

I

P

R

Y

R

L

L

G

G

E

N

P

P

E

E

D

D

V

C

A

A

A

G

T

I

I

V

A

S

F

F

L

L

A

C

S

S

N

E

D

D

A

A

R

S

Y

Y

I

I

T

T

G

G

Q

E

T

T

I

V

V

V

D

G

G

G

37:61 (vs. 10:34, 40% identical) binding
F177 (≠ D152) 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 (≠ G155) 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 (= Y158) active site, Proton acceptor
K187 (= K162) binding
N196 (≠ Y171) 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

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
34% identity, 96% coverage: 4:251/259 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

F

L

E

Q

N

G

K

K

V

V

V

A

V

V

I

V

T

T

G
|
G

A

G

A
x
S

G
x
R

G
|
G

I
|
I

G

G

E

R

A

D

T

I

T

A

R

I

R

N

I

L

V

A

S

K

E

E

G

G

G

A

K

N

V

I

V

F

I

F

A
x
N

-
x
Y

D
x
N

L
x
G

S
|
S

Q

P

E

E

R

A

A

A

D

E

K

E

L

T

A

A

A

K

E

L

L

V

T

A

Q

E

A

H

G

G

A

V

D

E

V

V

R

E

P

A

I

M

Y

K

F

A

S
x
N

A
x
V

T

A

E

I

L

A

Q

E

S

D

C

V

K

D

E

A

L

F

V

F

D

K

F

Q

A

A

M

I

K

E

E

R

Y

F

G

G

Q

R

I

V

D

D

V

I

L

L

I

V

N

N

N
|
N

V
x
A

G

G

G
x
I

T

T

D

-

P

-

K

-

R

R

D

D

L

N

N

L

I

L

E

M

K

R

L

M

D

K

I

E

D

D

Y

E

F

W

D

D

E

D

V

V

F

I

H

N

L
x
I

N

N

L

L

C

K

C

G

T

T

M

F

Y

L

L

C

S

T

Q

K

Q

A

V

V

I

S

P

R

I

T

M

M

T

M

T

K

H

Q

G

R

G

A

G

G

N

K

I

I

V

I

N

N

V

M

A

A

S
|
S

I

V

S

V

G

G

L

L

T

I

A

G

D

N

A

A

N

G

G
x
Q

T

A

L

N

Y
|
Y

G

V

A

A

S

S

K
|
K

A

A

G

G

V

V

I

I

N

G

L

L

T

T

K

K

Y

T

I

T

A

A

T

R

Q

E

M

L

G

A

K

P

K

R

N

G

I

I

R

N

C

V

N

N

A

A

V

V

A

A

P
|
P

G

G

L

F

V
x
I

L

T

T
|
T

P

D

A

M

A

T

L

-

D

D

N

K

L

L

N

D

E

E

E

K

V

T

R

K

N

E

I

A

F

M

L

L

G

A

Q

Q

C

I

A

P

T

L

P

G

Y

A

L

Y

G

G

E

T

P

T

E

E

D

D

V

I

A

A

A

N

T

A

I

V

A

L

F

F

L

L

A

A

S

S

N

D

D

A

A

S

R

K

Y

Y

I

I

T

T

G

G

Q

Q

T

T

I

L

V

S

V

V

D

D

G

G

L

M

T

V

I

M

active site: G16 (= G17), S142 (= S145), Q152 (≠ G155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (≠ G16), G16 (= G17), I17 (= I18), N35 (≠ A36), Y36 (vs. gap), N37 (≠ D37), G38 (≠ L38), S39 (= S39), N63 (≠ S63), V64 (≠ A64), N90 (= N90), A91 (≠ V91), I93 (≠ G93), I113 (≠ L116), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), I188 (≠ V191), T190 (= T193)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
33% identity, 97% coverage: 1:250/259 of query aligns to 1:247/249 of 6ihhA

query
sites
6ihhA

M

M

K

Y

R

R

F

L

E

L

N

N

K

K

V

T

V

A

V

V

I

I

T

T

G
|
G

A

G

A
x
N

G
x
S

G
|
G

I
|
I

G

G

E

L

A

A

T

T

T

A

R

K

R

R

I

F

V

V

S

A

E

E

G

G

G

A

K

Y

V

V

V

F

I

I

A

V

D

G

L
x
R

S
x
R

Q

R

E

K

R

E

A

L

D

E

K

Q

L

A

A

A

E

E

L

I

T

-

Q

-

A

-

G

G

A

R

D

N

V

V

R

T

P

A

I

V

Y

K

F

A

S
x
D

A
x
V

T

T

E

K

L

L

Q

E

S

D

C

L

K

D

E

R

L

L

V

Y

D

A

F

I

A

V

M

R

K

E

E

Q

Y

R

G

G

Q

S

I

I

D

D

V

V

L

L

I

F

N

A

N
|
N

V
x
S

G
|
G

G

A

T

V

D

E

P

Q

K

K

R

-

D

-

L

-

N

T

I

L

E

E

K

E

L

I

D

T

I

P

D

E

Y

H

F

Y

D

D

E

R

V

T

F

F

H

D

L
x
V

N

N

L

V

C

R

C

G

T

L

M

I

Y

F

L

T

S

V

Q

Q

Q

K

V

A

I

L

P

P

I

L

M

L

T

-

H

R

G

D

G

G

N

S

I

V

V

I

N

L

V
x
T

A

S

S
|
S

I

V

S

A

G

G

L

V

T

L

A

G

D

L

A

Q

N

A

G
x
H

T

D

L

T

Y
|
Y

G

S

A

A

S

A

K
|
K

A

A

G

A

V

V

I

R

N

S

L

L

T

A

K

R

Y

T

I

W

A

T

T

T

Q

E

M

L

G

K

K

G

K

R

N

S

I

I

R

R

C

V

N

N

A

A

V

V

A

S

P
|
P

G
|
G

L
x
A

V
x
I

L

D

T
|
T

P

P

A
x
S

A
x
L

L

E

D

N

N

N

L

V

N

S

-

T

-

Q

E

E

V

A

R

D

N

E

I

L

F

R

L

A

-

K

G

A

Q

A

C

A

A

A

T

T

P

P

Y

L

-

G

-

R

L

V

G

G

E

R

P

P

E

E

D

E

V

L

A

A

T

A

I

V

A

L

F

F

L

L

A

A

S

S

N

D

D

D

A

S

R

S

Y

Y

I

V

T

A

G

G

Q

I

T

E

I

L

V

F

V

V

D

D

G

G

L
|
L

T

T

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (= S145), H147 (≠ G155), Y150 (= Y158), L188 (≠ A196), L246 (= L249)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), N15 (≠ A15), S16 (≠ G16), G17 (= G17), I18 (= I18), R38 (≠ L38), R39 (≠ S39), D60 (≠ S63), V61 (≠ A64), N87 (= N90), S88 (≠ V91), G89 (= G92), V110 (≠ L116), T135 (≠ V143), S137 (= S145), Y150 (= Y158), K154 (= K162), P180 (= P188), G181 (= G189), A182 (≠ L190), I183 (≠ V191), T185 (= T193), S187 (≠ A195)

1ahiA 7 alpha-hydroxysteroid dehydrogenase complexed with nadh and 7-oxo glycochenodeoxycholic acid (see paper)
34% identity, 95% coverage: 3:248/259 of query aligns to 8:249/255 of 1ahiA

query
sites
1ahiA

R

R

F

L

E

D

N

G

K

K

V

C

V

A

V

I

I

I

T

T

G
|
G

A

A

A

G

G
x
A

G
|
G

I
|
I

G

G

E

K

A

E

T

I

T

A

R

I

R

T

I

F

V

A

S

T

E

A

G

G

G

A

K

S

V

V

I

V

A

S

D
|
D

L
x
I

S

N

Q

A

E

D

R

A

A

A

D

N

K

H

L

V

A

V

A

D

E

E

L

I

T

Q

Q

Q

A

L

G

G

A

G

D

Q

V

A

R

F

P

A

I

C

Y

R

F

C

S
x
D

A
x
I

T

T

E

S

L

E

Q

Q

S

E

C

L

K

S

E

A

L

L

V

A

D

D

F

F

A

A

M

I

K

S

E

K

Y

L

G

G

Q

K

I

V

D

D

V

I

L

L

I

V

N

N

N
|
N

V

A

G

G

T

G

D

G

P

P

K

K

R

-

D

P

L

F

N

D

I

M

E

P

K

M

L

A

D

D

I

-

D

-

Y

-

F

F

D

R

E

R

V

A

F

Y

H

E

L

L

N

N

L

V

C

F

C

S

T

F

M

F

Y

H

L

L

S

S

Q

Q

Q

L

V

V

I

A

P

P

I

E

M

M

T

E

T

K

H

N

G

G

N

V

I

I

V

L

N

T

V

I

A

T

S
|
S

I

M

S
x
A

G

A

L

E

T
x
N

A

K

D

N

A

I

N

N

G
x
M

T

T

L

S

Y
|
Y

G

A

A

S

S

S

K
|
K

A

A

G

A

V

A

I

S

N

H

L

L

T

V

K

R

Y

N

I

M

A

A

T

F

Q

D

M

L

G

G

K

E

K

K

N

N

I

I

R

R

C

V

N

N

A

G

V

I

A

A

P
|
P

G
|
G

L

A

V
x
I

L

L

T
|
T

P

D

A
|
A

A

L

L

K

D

S

N
x
V

L

I

N

T

E

P

E

E

V

I

R

E

N

Q

I

K

F

M

L

L

G

Q

Q

H

C

T

A

P

T

I

P

R

Y

R

L

L

G

G

E

Q

P

P

E

Q

D

D

V

I

A

A

A

N

T

A

I

A

A

L

F

F

L

L

A

C

S

S

N

P

D

A

A

A

R

S

Y

W

I

V

T

S

G

G

Q

Q

T

I

I

L

V

T

V

V

D

S

G

G

active site: G22 (= G17), S146 (= S145), M156 (≠ G155), Y159 (= Y158), K163 (= K162)
binding glycochenodeoxycholic acid: S146 (= S145), A148 (≠ S147), N151 (≠ T150), Y159 (= Y158), A196 (= A195), V200 (≠ N199)
binding 1,4-dihydronicotinamide adenine dinucleotide: G18 (= G13), A21 (≠ G16), G22 (= G17), I23 (= I18), D42 (= D37), I43 (≠ L38), D68 (≠ S63), I69 (≠ A64), N95 (= N90), Y159 (= Y158), K163 (= K162), P189 (= P188), G190 (= G189), I192 (≠ V191), T194 (= T193), A196 (= A195)

Sites not aligning to the query:

binding glycochenodeoxycholic acid: 252, 254

P0AET8 7alpha-hydroxysteroid dehydrogenase; 7alpha-HSDH; NAD-dependent 7alpha-hydroxysteroid dehydrogenase; EC 1.1.1.159 from Escherichia coli (strain K12) (see 2 papers)
34% identity, 95% coverage: 3:248/259 of query aligns to 8:249/255 of P0AET8

query
sites
P0AET8

R

R

F

L

E

D

N

G

K

K

V

C

V

A

V

I

I

I

T

T

G

G

A

A

A

G

G

A

G

G

I
|
I

G

G

E

K

A

E

T

I

T

A

R

I

R

T

I

F

V

A

S

T

E

A

G

G

G

A

K

S

V

V

I

V

A

S

D
|
D

L
x
I

S

N

Q

A

E

D

R

A

A

A

D

N

K

H

L

V

A

V

A

D

E

E

L

I

T

Q

Q

Q

A

L

G

G

A

G

D

Q

V

A

R

F

P

A

I

C

Y

R

F

C

S
x
D

A
x
I

T

T

E

S

L

E

Q

Q

S

E

C

L

K

S

E

A

L

L

V

A

D

D

F

F

A

A

M

I

K

S

E

K

Y

L

G

G

Q

K

I

V

D

D

V

I

L

L

I

V

N

N

N
|
N

V

A

G

G

T
x
G

D

G

P

P

K

K

R

-

D

P

L

F

N

D

I

M

E

P

K

M

L

A

D

D

I

-

D

-

Y

-

F

F

D

R

E

R

V

A

F

Y

H

E

L

L

N

N

L

V

C

F

C

S

T

F

M

F

Y

H

L

L

S

S

Q

Q

Q

L

V

V

I

A

P

P

I

E

M

M

T

E

T

K

H

N

G

G

N

V

I

I

V

L

N

T

V

I

A

T

S
|
S

I

M

S

A

G

A

L

E

T
x
N

A

K

D

N

A

I

N

N

G

M

T

T

L

S

Y
|
Y

G

A

A

S

S

S

K
|
K

A

A

G

A

V

A

I

S

N

H

L

L

T

V

K

R

Y

N

I

M

A

A

T

F

Q

D

M

L

G

G

K

E

K

K

N

N

I

I

R

R

C

V

N

N

A

G

V

I

A

A

P

P

G

G

L

A

V
x
I

L
|
L

T
|
T

P

D

A

A

A

L

L

K

D

S

N

V

L

I

N

T

E

P

E

E

V

I

R

E

N

Q

I

K

F

M

L

L

G

Q

Q

H

C

T

A

P

T

I

P

R

Y

R

L

L

G

G

E

Q

P

P

E

Q

D

D

V

I

A

A

A

N

T

A

I

A

A

L

F

F

L

L

A

C

S

S

N

P

D

A

A

A

R

S

Y

W

I

V

T

S

G

G

Q

Q

T

I

I

L

V

T

V

V

D

S

G

G

I23 (= I18) binding
DI 42:43 (≠ DL 37:38) binding
DI 68:69 (≠ SA 63:64) binding
N95 (= N90) binding
G99 (≠ T94) binding
S146 (= S145) binding ; mutation S->A,H: Reduction of the catalytic efficiency by over 65%. No effect on the affinity for cholate and NAD.
N151 (≠ T150) binding
Y159 (= Y158) binding ; binding ; mutation to F: Loss of activity.; mutation to H: Reduction of the catalytic efficiency by 87.7%. No effect on the affinity for cholate and NAD.
K163 (= K162) binding ; mutation to I: Reduction of the catalytic efficiency by 95%. No effect on the affinity for cholate and NAD.; mutation to R: Reduction of the catalytic efficiency by 35%. No effect on the affinity for cholate and NAD.
ILT 192:194 (≠ VLT 191:193) binding

1ahhA 7 alpha-hydroxysteroid dehydrogenase complexed with NAD+ (see paper)
34% identity, 95% coverage: 3:248/259 of query aligns to 8:249/253 of 1ahhA

query
sites
1ahhA

R

R

F

L

E

D

N

G

K

K

V

C

V

A

V

I

I

I

T

T

G
|
G

A

A

A

G

G
x
A

G
|
G

I

I

G

G

E

K

A

E

T

I

T

A

R

I

R

T

I

F

V

A

S

T

E

A

G

G

G

A

K

S

V

V

I

V

A

S

D
|
D

L
x
I

S

N

Q

A

E

D

R

A

A

A

D

N

K

H

L

V

A

V

A

D

E

E

L

I

T

Q

Q

Q

A

L

G

G

A

G

D

Q

V

A

R

F

P

A

I

C

Y

R

F
x
C

S
x
D

A
x
I

T

T

E

S

L

E

Q

Q

S

E

C

L

K

S

E

A

L

L

V

A

D

D

F

F

A

A

M

I

K

S

E

K

Y

L

G

G

Q

K

I

V

D

D

V

I

L

L

I

V

N

N

N
|
N

V

A

G
|
G

G

G

T

G

D

G

P

P

K

K

R

-

D

P

L

F

N

D

I

M

E

P

K

M

L

A

D

D

I

-

D

-

Y

-

F

F

D

R

E

R

V

A

F

Y

H

E

L

L

N

N

L

V

C

F

C

S

T

F

M

F

Y

H

L

L

S

S

Q

Q

Q

L

V

V

I

A

P

P

I

E

M

M

T

E

T

K

H

N

G

G

N

V

I

I

V

L

N

T

V

I

A
x
T

S
|
S

I

M

S

A

G

A

L

E

T

N

A

K

D

N

A

I

N

N

G
x
M

T

T

L

S

Y
|
Y

G

A

A

S

S

S

K
|
K

A

A

G

A

V

A

I

S

N

H

L

L

T

V

K

R

Y

N

I

M

A

A

T

F

Q

D

M

L

G

G

K

E

K

K

N

N

I

I

R

R

C

V

N

N

A

G

V

I

A

A

P
|
P

G
|
G

L

A

V
x
I

L

L

T

T

P

D

A

A

A

L

L

K

D

S

N

V

L

I

N

T

E

P

E

E

V

I

R

E

N

Q

I

K

F

M

L

L

G

Q

Q

H

C

T

A

P

T

I

P

R

Y

R

L

L

G

G

E

Q

P

P

E

Q

D

D

V

I

A

A

A

N

T

A

I

A

A

L

F

F

L

L

A

C

S

S

N

P

D

A

A

A

R

S

Y

W

I

V

T

S

G

G

Q

Q

T

I

I

L

V

T

V

V

D

S

G

G

active site: G22 (= G17), S146 (= S145), M156 (≠ G155), Y159 (= Y158), K163 (= K162)
binding nicotinamide-adenine-dinucleotide: G18 (= G13), A21 (≠ G16), D42 (= D37), I43 (≠ L38), C67 (≠ F62), D68 (≠ S63), I69 (≠ A64), N95 (= N90), G97 (= G92), T145 (≠ A144), Y159 (= Y158), K163 (= K162), P189 (= P188), G190 (= G189), I192 (≠ V191)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
32% identity, 97% coverage: 1:250/259 of query aligns to 1:247/249 of 4bmsF

query
sites
4bmsF

M

M

K

Y

R

R

F

L

E

L

N

N

K

K

V

T

V

A

V

V

I

I

T

T

G
|
G

A

G

A
x
N

G
x
S

G

G

I
|
I

G

G

E

L

A

A

T

T

T

A

R

K

R

R

I

F

V

V

S

A

E

E

G

G

G

A

K

Y

V

V

V

F

I

I

A

V

D

G

L
x
R

S
x
R

Q

R

E

K

R

E

A

L

D

E

K

Q

L

A

A

A

E

E

L

I

T

-

Q

-

A

-

G

G

A

R

D

N

V

V

R

T

P

A

I

V

Y

K

F
x
A

S
x
D

A
x
V

T

T

E

K

L

L

Q

E

S

D

C

L

K

D

E

R

L

L

V

Y

D

A

F

I

A

V

M

R

K

E

E

Q

Y

R

G

G

Q

S

I

I

D

D

V

V

L

L

I

F

N

A

N
|
N

V
x
S

G
|
G

G

A

T

I

D

E

P

Q

K

K

R

-

D

-

L

-

N

T

I

L

E

E

K

E

L

I

D

T

I

P

D

E

Y

H

F

Y

D

D

E

R

V

T

F

F

H

D

L
x
V

N

N

L

V

C

R

C

G

T

L

M

I

Y

F

L

T

S

V

Q

Q

Q

K

V

A

I

L

P

P

I

L

M

L

T

-

H

R

G

D

G

G

N

S

I

V

V

I

N

L

V

T

A

S

S
|
S

I

V

S

A

G

G

L

V

T

L

A

G

D

L

A

Q

N

A

G
x
H

T

D

L

T

Y
|
Y

G

S

A

A

S

A

K
|
K

A

A

G

A

V

V

I

R

N

S

L

L

T

A

K

R

Y

T

I

W

A

T

T

T

Q

E

M

L

G

K

K

G

K

R

N

S

I

I

R

R

C

V

N

N

A

A

V

V

A

S

P

P

G
|
G

L

A

V
x
I

L

D

T
|
T

P

P

A
x
I

A

I

L

E

D

N

N

Q

L

V

N

S

-

T

-
x
Q

-

E

-

A

E

D

E

E

V

L

R

R

N

A

I

K

F

F

L

A

G

A

Q

A

C

T

A

P

T

L

P

G

Y

R

L

V

G

G

E

R

P

P

E

E

D

E

V

L

A

A

T

A

I

V

A

L

F

F

L

L

A

A

S

S

N

D

D

D

A

S

R

S

Y

Y

I

V

T

A

G

G

Q

I

T

E

I

L

V

F

V

V

D

D

G

G

L

L

T

T

active site: S137 (= S145), H147 (≠ G155), Y150 (= Y158), K154 (= K162), Q195 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), N15 (≠ A15), S16 (≠ G16), I18 (= I18), R38 (≠ L38), R39 (≠ S39), A59 (≠ F62), D60 (≠ S63), V61 (≠ A64), N87 (= N90), S88 (≠ V91), G89 (= G92), V110 (≠ L116), S137 (= S145), Y150 (= Y158), K154 (= K162), G181 (= G189), I183 (≠ V191), T185 (= T193), I187 (≠ A195)

Query Sequence

>351439 BT1911 7-alpha-hydroxysteroid dehydrogenase (NCBI ptt file)
MKRFENKVVVITGAAGGIGEATTRRIVSEGGKVVIADLSQERADKLAAELTQAGADVRPI
YFSATELQSCKELVDFAMKEYGQIDVLINNVGGTDPKRDLNIEKLDIDYFDEVFHLNLCC
TMYLSQQVIPIMTTHGGGNIVNVASISGLTADANGTLYGASKAGVINLTKYIATQMGKKN
IRCNAVAPGLVLTPAALDNLNEEVRNIFLGQCATPYLGEPEDVAATIAFLASNDARYITG
QTIVVDGGLTIHNPTVELS

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory