SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_003940521.1 NCBI__GCF_002893965.1:WP_003940521.1 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)
40% identity, 96% coverage: 1:254/264 of query aligns to 1:254/262 of G9FRD7

query
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G9FRD7

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SSTRGI 13:18 (≠ GAASGI 13:18) binding NADP(+)
R38 (≠ L38) binding NADP(+); mutation to D: Loss of catalytic activity.
NA 63:64 (≠ DV 63:64) binding NADP(+)
N90 (≠ H90) binding NADP(+)
T145 (≠ S145) binding taurochenodeoxycholate
Y158 (= Y158) binding NADP(+); binding taurochenodeoxycholate
K162 (= K162) binding NADP(+)
IGTRA 191:195 (≠ IMTPA 191:195) binding NADP(+)

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)
40% identity, 95% coverage: 3:254/264 of query aligns to 2:253/261 of 5epoA

query
sites
5epoA

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active site: G16 (= G17), T144 (≠ S145), I152 (≠ S153), Y157 (= Y158), K161 (= K162), R193 (≠ P194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S12 (≠ G13), T14 (≠ A15), R15 (≠ S16), G16 (= G17), I17 (= I18), R37 (≠ L38), F61 (≠ V62), N62 (≠ D63), N89 (≠ H90), Y90 (≠ V91), G91 (= G92), Y157 (= Y158), K161 (= K162), P187 (= P188), G188 (= G189), I190 (= I191), T192 (= T193), R193 (≠ P194), A194 (= A195), A195 (≠ L196)
binding taurochenodeoxycholic acid: T93 (≠ S94), T144 (≠ S145), G146 (= G147), R154 (≠ Q155), Y157 (= Y158), G188 (= G189), N198 (= N199), M199 (≠ I200), F203 (≠ V204)

7krmC Putative fabg bound to nadh from acinetobacter baumannii
41% identity, 93% coverage: 4:249/264 of query aligns to 3:241/244 of 7krmC

query
sites
7krmC

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active site: G18 (= G17), S140 (= S145), Y155 (= Y158)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (= S16), G18 (= G17), I19 (= I18), D38 (= D37), L39 (= L38), A60 (≠ V62), N61 (≠ D63), V62 (= V64), N88 (≠ H90), V111 (≠ L116), S140 (= S145), Y155 (= Y158), K159 (= K162), I188 (= I191), T190 (= T193)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 94% coverage: 1:249/264 of query aligns to 2:242/244 of 4nbuB

query
sites
4nbuB

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active site: G18 (= G17), N111 (= N117), S139 (= S145), Q149 (= Q155), Y152 (= Y158), K156 (= K162)
binding acetoacetyl-coenzyme a: D93 (= D99), K98 (≠ R104), S139 (= S145), N146 (≠ D152), V147 (≠ S153), Q149 (= Q155), Y152 (= Y158), F184 (≠ A190), M189 (≠ L196), K200 (≠ G207)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ S16), G18 (= G17), I19 (= I18), D38 (= D37), F39 (≠ L38), V59 (= V62), D60 (= D63), V61 (= V64), N87 (≠ H90), A88 (≠ V91), G89 (= G92), I90 (≠ G93), T137 (= T143), S139 (= S145), Y152 (= Y158), K156 (= K162), P182 (= P188), F184 (≠ A190), T185 (≠ I191), T187 (= T193), M189 (≠ L196)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
37% identity, 95% coverage: 2:251/264 of query aligns to 6:252/258 of 4wecA

query
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4wecA

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-

L

I

L

E

R

N

M

T

D

D

L

L

D

P

E

A

W

W

D

Q

R

R

V

V

M

Q

S

D

L

I

N

N

V

L

R

K

S

S

T

V

V

Y

V

L

A

S

S

C

R

R

L

A

A

A

I

L

P

R

H

H

M

M

N

V

S

P

A

A

G

G

G

K

G

G

S

S

I

I

V

I

N

N

T
|
T

A

A

S
|
S

V

F

G

V

G

A

L

V

I

M

G

G

D

S

S

A

L

T

-

S

Q
|
Q

S

I

A

S

Y
|
Y

G

T

S

A

A

S

K
|
K

A

G

V

V

I

L

R

A

L

M

T

S

Q

R

Y

E

I

L

A

G

V

V

Q

Q

Y

Y

G

A

A

R

N

Q

G

G

V

I

R

R

C

V

N

N

A

A

V

L

A

C

P
|
P

G

G

A
x
P

I
x
V

M

N

T

T

P

P

A

L

L

L

V

Q

D

E

N

L

I

F

P

A

A

K

D

D

V

P

I

E

D

R

G

A

M

A

K

R

Q

R

A

L

N

V

A

H

L

I

P

P

Y

L

-

G

-

R

L

F

G

A

E

E

P

P

E

E

D

E

I

L

A

A

H

A

A

A

M

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

D

S

A

R

S

Y

F

M

I

T

T

G

G

Q

S

T

T

L

F

V

L

V

V

D

D

G

G

L

I

T

S

S

S

active site: G21 (= G17), S143 (= S145), Q154 (= Q155), Y157 (= Y158), K161 (= K162)
binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (= A15), S20 (= S16), G21 (= G17), I22 (= I18), D41 (= D37), I42 (≠ L38), V61 (= V62), D62 (= D63), V63 (= V64), N89 (≠ H90), T141 (= T143), Y157 (= Y158), K161 (= K162), P187 (= P188), P189 (≠ A190), V190 (≠ I191)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
36% identity, 94% coverage: 4:251/264 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

E

D

G

N

K

K

N

V

V

A

V

L

I

V

T

T

G
|
G

A

A

A

G

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

A

V

A

A

Q

H

L

S

M

Y

A

A

A

K

E

E

G

G

A

A

K

K

V

V

L

I

V

V

A

S

D
|
D

L
x
I

D

N

P

E

A

D

R

H

A

G

E

N

E

K

A

A

A

V

V

E

A

D

I

I

R

K

E

A

T

Q

G

G

N

E

A

A

M

S

G

F

F

V

G

K

V
x
A

D
|
D

V
x
T

M

S

N

N

E

P

D

E

S

E

L

V

A

E

A

A

M

L

I

V

E

K

K

R

A

T

V

V

A

E

E

I

F

Y

G

G

G

R

I

L

N

D

V

I

L

A

C

C

N

N

H
x
N

-
x
A

-

G

V

I

G

G

S

E

N

Q

P

A

R

L

K

A

D

G

L

-

D

-

L

-

R

D

M

Y

D

G

L

L

D

D

E

S

W

W

D

R

R

K

V

V

M

L

S

S

L

I

N

N

V

L

R

D

S

G

T

V

V

F

V

Y

A

G

S

C

R

K

L

Y

A

E

I

L

P

E

H

Q

M

M

N

E

S

K

A

N

G

G

S

V

I

I

V

V

N

N

T
x
M

A

A

S
|
S

V

I

G

H

G

G

L

I

I

V

G

A

D

A

S

P

L

L

Q

S

S

S

A

A

Y
|
Y

G

T

S

S

A

A

K
|
K

A

H

A

A

V

V

I

V

R

G

L

L

T

T

Q

K

Y

N

I

I

A

G

V

A

Q

E

Y

Y

G

G

A

Q

N

K

G

N

V

I

R

R

C

C

N

N

A

A

V

V

A

G

P
|
P

G
x
A

A
x
Y

I
|
I

M

E

T

T

P

P

A

-

L
|
L

V

L

D

E

N

S

I

L

P

T

A

K

D

E

V

M

I

K

D

E

G

A

M

L

K

I

Q

S

A

K

N

H

A

P

L

M

P

G

Y

R

L

L

G

G

E

K

P

P

E

E

D

E

I

V

A

A

H

E

A

L

M

V

V

L

Y

F

L

L

A

S

S

S

D

E

E

K

S

S

R

S

Y

F

M

M

T

T

G

G

Q

G

T

Y

L

Y

V

L

V

V

D

D

G

G

L

Y

T

T

S

A

active site: G16 (= G17), S142 (= S145), Y155 (= Y158), K159 (= K162)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (= S16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (≠ L38), A61 (≠ V62), D62 (= D63), T63 (≠ V64), N89 (≠ H90), A90 (vs. gap), M140 (≠ T143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), A186 (≠ G189), Y187 (≠ A190), I188 (= I191), L192 (= L196)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
37% identity, 94% coverage: 4:252/264 of query aligns to 5:255/255 of 5itvA

query
sites
5itvA

L

L

E

T

G

D

K

K

N

T

V

V

V

L

I

I

T

T

G
|
G

A

G

A

A

S
|
S

G
|
G

I
|
I

G

G

R

Y

A

A

A

V

Q

Q

L

A

M

F

A

L

A

G

E

Q

G

Q

A

A

K

N

V

V

L

V

V

V

A

A

D
|
D

L
x
I

D

D

P

E

A

A

R

Q

A

G

E

E

E

-

A

-

V

A

A

M

I

V

R

R

E

K

T

E

G

N

N

D

A

R

M

L

G

H

F

F

-

V

G

Q

V
x
T

D

D

V
x
I

M

T

N

D

E

E

D

A

S

A

L

C

A

Q

A

H

M

A

I

V

E

E

K

S

A

A

V

V

A

H

E

T

F

F

G

G

I

L

N

D

V

V

L

L

C

I

N

N

H
x
N

V

A

G
|
G

G

-

S

-

N

-

P

-

R

-

K

-

D

-

L

I

D

E

L

I

L

V

-

A

-

P

-

I

-

H

R

E

M

M

D

E

L

L

D

S

E

D

W

W

D

N

R

K

V

V

M

L

S

Q

L

V

N

N

V

L

R

T

S

G

T

M

V

F

V

L

A

M

S

S

R

K

L

H

A

A

I

L

P

K

H

H

M

M

N

L

S

A

A

A

G

G

G

K

G

G

S

N

I

I

V

I

N

N

T
|
T

A

C

S
|
S

V

V

G

G

L

L

I

V

G

A

D

W

S

P

L

D

Q

I

S

P

A

A

Y
|
Y

G

N

S

A

A

S

K
|
K

A

G

V

V

I

L

R

Q

L

L

T

T

Q

K

Y

S

I

M

A

A

V

V

Q

D

Y

Y

G

A

A

K

N

H

G

Q

V

I

R

R

C

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

A
x
I

I
|
I

M

D

T

T

P

P

-

L

-

N

-

E

-

K

A

S

L

F

V

L

D

E

N

N

I

N

P

E

A

G

D

T

V

L

I

E

D

E

G

I

M

K

K

K

Q

E

-

K

-

A

-

K

A

V

N

N

A

P

L

L

P

L

Y

R

L

L

G

G

E

K

P

P

E

E

D

E

I

I

A

A

H

N

A

V

M

M

V

L

Y

F

L

L

A

A

S

S

D

D

E

L

S

S

R

S

Y

Y

M

M

T

T

G

G

Q

S

T

A

L

I

V

T

V

A

D

D

G

G

L

Y

T

T

S

A

K

Q

active site: G18 (= G17), S141 (= S145), Y154 (= Y158), K158 (= K162)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (= D37), I39 (≠ L38), T61 (≠ V62), I63 (≠ V64), N89 (≠ H90), G91 (= G92), T139 (= T143), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), I186 (≠ A190), I187 (= I191)

4cqlI Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD (see paper)
37% identity, 94% coverage: 2:249/264 of query aligns to 4:249/251 of 4cqlI

query
sites
4cqlI

N

N

R

R

L

L

E

R

G

S

K

A

N

L

V

A

V

L

I

V

T

T

G

G

A

A

A

G

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

A

V

A

S

Q

V

L

R

M

L

A

A

A

G

E

E

G

G

A

A

K

T

V

V

L

A

V

A

A

C

D
|
D

L
|
L

D

D

P

R

A

A

R

A

A

A

E

Q

E

E

A

T

A

V

V

R

A

L

I

L

R

G

E

G

T

P

G

G

G

S

N

N

A

H

M

A

G

A

F

F

G

Q

V
x
A

D
|
D

V
|
V

M

S

N

E

E

A

D

R

S

A

L

A

A

R

A

C

M

L

I

L

E

E

K

Q

A

V

V

Q

A

A

E

C

F

F

G

S

-

R

-

P

G

S

I

V

N

V

V

V

L

S

C
|
C

N
x
A

H
x
G

V
x
I

G

-

S

-

N

-

P

-

R

T

K

Q

D

D

L

E

D

F

L

L

R

H

M

M

D

S

L

E

D

D

E

D

W

W

D

D

R

K

V

V

M

I

S

A

L
x
V

N

N

V

L

R

K

S

G

T

T

V

F

V

L

A

V

S

T

R

Q

L

A

A

A

I

A

P

Q

H

A

M

L

N

V

S

S

A

N

G

G

G

C

-

R

G

G

S

S

I

I

V

I

N

N

T
x
I

A

S

S
|
S

V

I

G

V

G

G

L

K

I

V

G

G

D

N

S

V

L

G

Q

Q

S

T

A

N

Y
|
Y

G

A

S

A

A

S

K
|
K

A

A

A

G

V

V

I

I

R

G

L

L

T

T

Q

Q

Y

T

I

A

A

A

V

R

Q

E

Y

L

G

G

A

R

N

H

G

G

V

I

R

R

C

C

N

N

A

S

V

V

A

L

P
|
P

G
|
G

A

F

I
|
I

M

A

T
|
T

P

P

A

-

L
x
M

V

T

D

Q

N

K

I

V

P

P

A

Q

D

K

V

V

I

V

D

D

G

K

M

I

K

T

Q

E

A

M

N

I

A

P

L

M

P

G

Y

H

L

L

G

G

E

D

P

P

E

E

D

D

I

V

A

A

H

D

A

V

M

V

V

A

Y

F

L

L

A

A

S

S

D

E

E

D

S

S

R

G

Y

Y

M

I

T

T

G

G

Q

T

T

S

L

V

V

E

V

V

D

T

G

G

L

L

active site: G19 (= G17), S146 (= S145), Y159 (= Y158), K163 (= K162)
binding nicotinamide-adenine-dinucleotide: S18 (= S16), G19 (= G17), I20 (= I18), D39 (= D37), L40 (= L38), A64 (≠ V62), D65 (= D63), V66 (= V64), C93 (= C88), A94 (≠ N89), G95 (≠ H90), I96 (≠ V91), V116 (≠ L116), I144 (≠ T143), S146 (= S145), Y159 (= Y158), K163 (= K162), P189 (= P188), G190 (= G189), I192 (= I191), T194 (= T193), M196 (≠ L196)

4cqmA Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD and NADP (see paper)
38% identity, 94% coverage: 2:249/264 of query aligns to 2:246/248 of 4cqmA

query
sites
4cqmA

N

N

R

R

L

L

E

R

G

S

K

A

N

L

V

A

V

L

I

V

T

T

G
|
G

A

A

A

G

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

A

V

A

S

Q

V

L

R

M

L

A

A

A

G

E

E

G

G

A

A

K

T

V

V

L

A

V

A

A

C

D
|
D

L
|
L

D

D

P

R

A

A

R

A

A

A

E

Q

E

E

A

T

A

-

V

V

A

R

I

L

R

L

E

P

T

P

G

R

G

G

N

N

A

H

M

A

G

A

F

F

G

Q

V
x
A

D

D

V
|
V

M

S

N

E

E

A

D

R

S

A

L

A

A

R

A

C

M

L

I

L

E

E

K

Q

A

V

V

Q

A

A

E

C

F

F

G

S

-

R

-

P

G

S

I

V

N

V

V

V

L

S

C
|
C

N
x
A

H
x
G

V
x
I

G

-

S

-

N

-

P

-

R

T

K

Q

D

D

L

E

D

F

L

L

R

H

M

M

D

S

L

E

D

D

E

D

W

W

D

D

R

K

V

V

M

I

S

A

L
x
V

N

N

V

L

R

K

S

G

T

T

V

F

V

L

A

V

S

T

R

Q

L

A

A

A

I

A

P

Q

H

A

M

L

N

V

S

S

A

N

G

G

G

C

-

R

G

G

S

S

I

I

V

I

N

N

T
x
I

A

S

S
|
S

V

I

G

V

G

G

L

K

I

V

G

G

D

N

S

V

L

G

Q

Q

S

T

A

N

Y
|
Y

G

A

S

A

A

S

K
|
K

A

A

A

G

V

V

I

I

R

G

L

L

T

T

Q

Q

Y

T

I

A

A

A

V

R

Q

E

Y

L

G

G

A

R

N

H

G

G

V

I

R

R

C

C

N

N

A

S

V

V

A

L

P
|
P

G
|
G

A

F

I
|
I

M

A

T
|
T

P
|
P

A

-

L
x
M

V
x
T

D

Q

N

K

I

V

P

P

A

Q

D

K

V

V

I

V

D

D

G

K

M

I

K

T

Q

E

A

M

N

I

A

P

L

M

P

G

Y

H

L

L

G

G

E

D

P

P

E

E

D

D

I

V

A

A

H

D

A

V

M

V

V

A

Y

F

L

L

A

A

S

S

D

E

E

D

S

S

R

G

Y

Y

M

I

T

T

G

G

Q

T

T

S

L

V

V

E

V

V

D

T

G

G

L

L

active site: G17 (= G17), S143 (= S145), Y156 (= Y158), K160 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), S16 (= S16), G17 (= G17), I18 (= I18), D37 (= D37), L38 (= L38), A61 (≠ V62), V63 (= V64), C90 (= C88), A91 (≠ N89), G92 (≠ H90), I93 (≠ V91), V113 (≠ L116), I141 (≠ T143), S143 (= S145), Y156 (= Y158), K160 (= K162), P186 (= P188), G187 (= G189), I189 (= I191), T191 (= T193), P192 (= P194), M193 (≠ L196), T194 (≠ V197)

8hsaA Brucella melitensis 7-alpha-hydroxysteroid dehydrogenase mutant: 1-53 truncation/m196i/i258m/k262t-NAD+
42% identity, 84% coverage: 26:248/264 of query aligns to 27:245/248 of 8hsaA

query
sites
8hsaA

M

F

A

A

A

K

E

A

G

G

A

A

K

S

V

V

L

V

V

V

A

T

D
|
D

L
|
L

D

K

P

S

A

E

R

G

A

A

E

E

E

A

A

V

A

A

V

A

A

A

I

I

R

R

E

Q

T

A

G

G

N

K

A

A

M

I

G

G

F

L

G

E

V
x
C

D
x
N

V
|
V

M

T

N

D

E

E

D

Q

S

H

L

R

A

E

A

A

M

V

I

I

E

K

K

A

A

A

V

L

A

D

E

Q

F

F

G

G

G

K

I

I

N

T

V

V

L

L

C

V

N

N

H
x
N

V
x
A

G
|
G

G

G

S

G

N

G

P

P

R

-

K

K

D

P

L

F

D

D

L

M

L

P

R

M

M

S

D

D

L

F

D

-

E

E

W

W

D

-

R

-

V

A

M

F

S

K

L

L

N

N

V

L

R

F

S

S

T

L

V

F

V

R

A

L

S

S

R

Q

L

L

A

A

I

A

P

P

H

H

M

M

N

Q

S

K

A

A

G

G

S

A

I

I

V

L

N

N

T
x
I

A
x
S

S

S

V

I

G

A

G

G

L

E

I

N

G

T

D

N

S

V

L

R

Q

M

S

A

A

S

Y
|
Y

G

G

S

S

A

S

K
|
K

A

A

V

V

I

N

R

H

L

L

T

T

Q

R

Y

N

I

I

A

A

V

F

Q

D

Y

V

G

G

A

P

N

M

G

G

V

I

R

R

C

V

N

N

A

A

V

I

A

A

P
|
P

G
|
G

A

A

I

M

M

K

T

T

P

D

A

A

L

L

V

A

D

T

N

V

I

L

P

T

A

P

D

E

V

I

I

E

D

R

G

A

M

M

K

L

Q

K

A

H

N

T

A

P

L

L

P

G

Y

R

L

L

G

G

E

E

P

A

E

Q

D

D

I

I

A

A

H

N

A

A

M

A

V

L

Y

F

L

L

A

C

S

S

D

P

E

A

S

A

R

A

Y

W

M

I

T

S

G

G

Q

Q

T

V

L

L

V

T

V

V

D

S

G

G

binding nicotinamide-adenine-dinucleotide: D38 (= D37), L39 (= L38), C63 (≠ V62), N64 (≠ D63), V65 (= V64), N91 (≠ H90), A92 (≠ V91), G93 (= G92), I140 (≠ T143), S141 (≠ A144), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 14, 19

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
37% identity, 95% coverage: 3:252/264 of query aligns to 4:227/227 of 5itvD

query
sites
5itvD

R

N

L

L

E

T

G

D

K

K

N

T

V

V

V

L

I

I

T

T

G
|
G

A

G

A

A

S
|
S

G
|
G

I
|
I

G

G

R

Y

A

A

A

V

Q

Q

L

A

M

F

A

L

A

G

E

Q

G

Q

A

A

K

N

V

V

L

V

V

V

A

A

D
|
D

L
x
I

D

D

P

E

A

A

R

Q

A

G

E

E

E

-

A

-

V

A

A

M

I

V

R

R

E

K

T

E

G

N

N

D

A

R

M

L

G

H

F

F

-

V

G

Q

V
x
T

D
|
D

V
x
I

M

T

N

D

E

E

D

A

S

A

L

C

A

Q

A

H

M

A

I

V

E

E

K

S

A

A

V

V

A

H

E

T

F

F

G

G

I

L

N

D

V

V

L

L

C

I

N

N

H
x
N

V

A

G

G

G

-

S

-

N

-

P

I

R

E

K

I

D

V

L

A

D

P

L

I

L

H

R

E

M

M

D

E

L

L

D

S

E

D

W

W

D

N

R

K

V

V

M

L

S

Q

L

V

N

N

V

L

R

T

S

G

T

M

V

F

V

L

A

M

S

S

R

K

L

H

A

A

I

L

P

K

H

H

M

M

N

L

S

A

A

A

G

G

G

K

G

G

S

N

I

I

V

I

N

N

T
|
T

A

C

S
|
S

V

V

G

G

L

L

I

V

G

A

D

W

S

P

L

D

Q

I

S

P

A

A

Y
|
Y

G

N

S

A

A

S

K
|
K

A

G

V

V

I

L

R

Q

L

L

T

T

Q

K

Y

S

I

M

A

A

V

V

Q

D

Y

Y

G

A

A

K

N

H

G

Q

V

I

R

R

C

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

A

-

I

-

M

-

T

-

P

-

A

-

L

-

V

-

D

-

N

-

I

-

P

-

A

-

D

-

V

I

I
|
I

D

D

G

T

M

L

K

R

Q

-

A

-

N

-

A

-

L

-

P

-

Y

-

L

L

G

G

E

K

P

P

E

E

D

E

I

I

A

A

H

N

A

V

M

M

V

L

Y

F

L

L

A

A

S

S

D

D

E

L

S

S

R

S

Y

Y

M

M

T

T

G

G

Q

S

T

A

L

I

V

T

V

A

D

D

G

G

L

Y

T

T

S

A

K

Q

active site: G18 (= G17), S141 (= S145), Y154 (= Y158), K158 (= K162)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (= D37), I39 (≠ L38), T61 (≠ V62), D62 (= D63), I63 (≠ V64), N89 (≠ H90), T139 (= T143), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), I187 (= I205)

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)
37% identity, 94% coverage: 2:249/264 of query aligns to 7:259/261 of Q92506

query
sites
Q92506

N

N

R

R

L

L

E

R

G

S

K

A

N

L

V

A

V
x
L

I
x
V

T
|
T

G
|
G

A
|
A

A
x
G

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

A

V

A

S

Q

V

L

R

M

L

A

A

A

G

E

E

G

G

A

A

K

T

V

V

L

A

V

A

A

C

D
|
D

L
|
L

D

D

P

R

A

A

R

A

A

A

E

Q

E

E

A

T

A

V

V

R

A

L

I

L

R

G

E

G

T

P

G

G

-

S

-

K

-

E

-

G

-

P

-

R

G

G

N

N

A

H

M

A

G

A

F

F

G

Q

V
x
A

D
|
D

V
|
V

M

S

N

E

E

A

D

R

S

A

L

A

A

R

A

C

M

L

I

L

E

E

K

Q

A

V

V

Q

A

A

E

C

F

F

G

S

-

R

-

P

G

S

I

V

N

V

V

V

L

S

C

C

N

A

H

G

V

I

G

-

S

-

N

-

P

-

R

T

K

Q

D

D

L

E

D

F

L

L

R

H

M

M

D

S

L

E

D

D

E

D

W

W

D

D

R

K

V

V

M

I

S

A

L

V

N

N

V

L

R

K

S

G

T

T

V

F

V

L

A

V

S

T

R

Q

L

A

A

A

I

A

P

Q

H

A

M

L

N

V

S

S

A

N

G

G

G

C

-
x
R

G

G

S

S

I

I

V

I

N

N

T

I

A

S

S

S

V

I

G
x
V

G

G

L

K

I

V

G

G

D

N

S

V

L

G

Q

Q

S

T

A

N

Y
|
Y

G
x
A

S
x
A

A
x
S

K
|
K

A

A

A

G

V

V

I

I

R

G

L

L

T

T

Q

Q

Y

T

I

A

A

A

V

R

Q

E

Y

L

G

G

A
x
R

N

H

G

G

V

I

R

R

C

C

N

N

A

S

V

V

A

L

P

P

G

G

A

F

I
|
I

M
x
A

T
|
T

P

P

A

-

L

M

V

T

D

Q

N

K

I

V

P

P

A

Q

D

K

V

V

I

V

D

D

G

K

M

I

K

T

Q

E

A

M

N

I

A

P

L

M

P

G

Y

H

L

L

G

G

E

D

P

P

E

E

D

D

I

V

A

A

H

D

A

V

M

V

V

A

Y

F

L

L

A

A

S

S

D

E

E

D

S

S

R

G

Y

Y

M

I

T

T

G

G

Q

T

T

S

L

V

V

E

V

V

D

T

G

G

L

L

15:23 (vs. 10:18, 67% identical) binding NAD(+)
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 (= DL 37:38) binding NAD(+)
ADV 74:76 (≠ VDV 62:64) binding NAD(+)
R148 (vs. gap) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
V158 (≠ G147) 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 (≠ YGSAK 158:162) binding NAD(+)
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 (≠ A178) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
IAT 202:204 (≠ IMT 191:193) binding NAD(+)

2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
39% identity, 93% coverage: 6:251/264 of query aligns to 5:238/240 of 2d1yA

query
sites
2d1yA

G

G

K

K

N

G

V

V

V

L

I

V

T

T

G
|
G

A

G

A

A

S
x
R

G
|
G

I
|
I

G

G

R

R

A

A

A

I

A

A

Q

Q

L

A

M

F

A

A

A

R

E

E

G

G

A

A

K

L

V

V

L

A

V

L

A

C

D
|
D

L
|
L

D
x
R

P

P

A

-

R

E

A

G

E

K

E

E

A

V

A

A

V

E

A

A

I

I

R

-

E

-

T

-

G

-

G

G

N

G

A

A

M

F

G

-

F

F

G

Q

V
|
V

D
|
D

V
x
L

M

E

N

D

E

E

D

R

S

E

L

R

A

V

A

R

M

F

I

V

E

E

K

E

A

A

V

A

A

Y

E

A

F

L

G

G

G

R

I

V

N

D

V

V

L

L

C

V

N

N

H
x
N

V
x
A

G
x
A

G
x
I

S

A

N

A

P

P

R

G

K

S

D

A

L

L

D

T

L

-

R

-

M

V

D

R

L

L

D

P

E

E

W

W

D

R

R

R

V

V

M

L

S

E

L

V

N

N

V

L

R

T

S

A

T

P

V

M

V

H

A

L

S

S

R

A

L

L

A

A

I

A

P

R

H

E

M

M

N

R

S

K

A

V

G

G

S

A

I

I

V

V

N

N

T
x
V

A

A

S
|
S

V

V

G

Q

G

G

L

L

I

F

G

A

D

E

S

Q

L

E

Q
x
N

S

A

A

A

Y
|
Y

G

N

S

A

A

S

K
|
K

A

G

V

L

I

V

R

N

L

L

T

T

Q

R

Y

S

I

L

A

A

V

L

Q

D

Y

L

G

A

A

P

N

L

G

R

V

I

R

R

C

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

A

A

I
|
I

M

A

T
|
T

P

E

A
|
A

L
x
V

V

L

D

E

N

A

I

I

P

A

A

R

D

R

V

D

I

W

D

E

G

D

M

L

K

-

Q

-

A

-

N

H

A

A

L

L

P

R

Y

R

L

L

G

G

E

K

P

P

E

E

D

E

I

V

A

A

H

E

A

A

M

V

V

L

Y

F

L

L

A

A

S

S

D

E

E

K

S

A

R

S

Y

F

M

I

T

T

G

G

Q

A

T

I

L

L

V

P

V

V

D

D

G

G

L

M

T

T

S

A

active site: G16 (= G17), S135 (= S145), N145 (≠ Q155), Y148 (= Y158), K152 (= K162)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), R15 (≠ S16), I17 (= I18), D36 (= D37), L37 (= L38), R38 (≠ D39), V55 (= V62), D56 (= D63), L57 (≠ V64), N83 (≠ H90), A84 (≠ V91), A85 (≠ G92), I86 (≠ G93), V133 (≠ T143), S135 (= S145), Y148 (= Y158), K152 (= K162), P178 (= P188), G179 (= G189), I181 (= I191), T183 (= T193), A185 (= A195), V186 (≠ L196)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
38% identity, 93% coverage: 4:249/264 of query aligns to 3:245/247 of 4jroC

query
sites
4jroC

L

L

E

Q

G

G

K

K

N

V

V

A

V

V

I

V

T

T

G
|
G

A

G

A
x
S

S
x
R

G
|
G

I
|
I

G

G

R

R

A

D

A

I

A

A

Q

I

L

N

M

L

A

A

A

K

E

E

G

G

A

A

K

N

V

I

L

F

V

F

-
x
N

A
x
Y

D
x
N

L
x
G

D
x
S

P

P

A

E

R

A

A

A

E

E

A

T

A

A

V

K

A

L

I

V

R

A

E

E

T

H

G

G

G

V

N

E

A

V

M

E

G

A

F

M

G

K

V

A

D
x
N

V
|
V

M

A

N

I

E

A

D

E

S

D

L

V

A

D

A

A

M

F

I

F

E

K

K

Q

A

A

V

I

A

E

E

R

F

F

G

G

G

R

I

V

N

D

V

I

L

L

C

V

N

N

H
x
N

V
x
A

G

G

G
x
I

S

T

N

-

P

-

R

-

K

R

D

D

L

N

D

L

L

L

L

M

R

R

M

M

D

K

L

E

D

D

E

E

W

W

D

D

R

D

V

V

M

I

S

N

L
x
I

N

N

V

L

R

K

S

G

T

T

V

F

V

L

A

C

S

T

R

K

L

A

A

V

I

S

P

R

H

T

M

M

N

M

S

K

A

Q

G

R

G

A

G

G

S

K

I

I

V

I

N

N

T

M

A

A

S
|
S

V

V

G

V

G

G

L

L

I

I

G

G

D

N

S

A

L

G

Q
|
Q

S

A

A

N

Y
|
Y

G

V

S

A

A

S

K
|
K

A

A

A

G

V

V

I

I

R

G

L

L

T

T

Q

K

Y

T

I

T

A

A

V

R

Q

E

Y

L

G

A

A

P

N

R

G

G

V

I

R

N

C

V

N

N

A

A

V

V

A

A

P
|
P

G

G

A

F

I
|
I

M

T

T
|
T

P

D

A

-

L

M

V

T

D

D

N

K

I

L

P

D

A

E

D

K

V

T

I

K

D

E

G

A

M

M

K

L

Q

A

A

Q

N

I

A

P

L

L

P

G

Y

A

L

Y

G

G

E

T

P

T

E

E

D

D

I

I

A

A

H

N

A

A

M

V

V

L

Y

F

L

L

A

A

S

S

D

D

E

A

S

S

R

K

Y

Y

M

I

T

T

G

G

Q

Q

T

T

L

L

V

S

V

V

D

D

G

G

L

M

active site: G16 (= G17), S142 (= S145), Q152 (= Q155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (≠ S16), G16 (= G17), I17 (= I18), N35 (vs. gap), Y36 (≠ A36), N37 (≠ D37), G38 (≠ L38), S39 (≠ D39), N63 (≠ D63), V64 (= V64), N90 (≠ H90), A91 (≠ V91), I93 (≠ G93), I113 (≠ L116), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), I188 (= I191), T190 (= T193)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme
36% identity, 95% coverage: 1:251/264 of query aligns to 1:248/249 of 8y83A

query
sites
8y83A

M

M

N

K

R

I

L

L

E

A

G

D

K

K

N

V

V

A

V

L

I

V

T

T

G
|
G

A

S

A

G

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

A

V

A

A

Q

L

L

A

M

Y

A

G

A

K

E

E

G

G

A

A

K

K

V

V

L

V

V

I

A

S

D
|
D

L
x
I

D

N

P

E

A

Q

R

A

A

G

E

N

E

E

A

T

A

V

V

K

A

Q

I

I

R

E

E

S

T

L

G

G

N

E

A

A

M

V

G

F

F

F

G

K

V
x
A

D
|
D

V
x
S

M

S

N

S

E

P

D

A

S

D

L

N

A

E

A

A

M

L

I

V

E

G

K

Y

A

A

V

V

A

K

E

T

F

F

G

G

G

R

I

L

N

D

V

I

L

A

C

C

N

N

H
x
N

V

A

G

G

-

I

G

G

S

G

N

E

P

A

R

A

K

L

D

T

L

G

D

D

L

-

R

-

M

Y

D

S

L

L

D

D

E

G

W

W

D

K

R

K

V

V

M

I

S

D

L

I

N

N

V

F

R

N

S

G

T

V

V

F

V

Y

A

G

S

C

R

K

L

Y

A

Q

I

I

P

E

H

A

M

M

N

E

S

R

A

N

G

G

S

V

I

I

V

V

N

N

T
x
M

A

A

S

S

V

I

G

H

G

G

L

T

I

V

G

A

D

A

S

P

L

M

Q

S

S

S

A

A

Y
|
Y

G

T

S

S

A

A

K
|
K

A

H

A

A

V

V

I

V

R

G

L

L

T

T

Q

K

Y

N

I

I

A

G

V

A

Q

E

Y

Y

G

G

A

Q

N

K

G

N

V

I

R

R

C

C

N

N

A

A

V

V

A

G

P
|
P

G
|
G

A
x
Y

I
|
I

M

D

T

T

P

P

A

-

L
|
L

V

L

D

A

N

K

I

L

P

D

A

K

D

E

V

H

I

I

D

N

G

A

M

L

K

I

Q

S

A

K

N

H

A

P

L

I

P

G

Y

R

L

L

G

G

E

K

P

A

E

E

D

E

I

V

A

A

H

E

A

L

M

V

V

L

Y

F

L

L

A

S

S

S

D

D

E

K

S

S

R

S

Y

F

M

M

T

T

G

G

Q

G

T

Y

L

Y

V

L

V

V

D

D

G

G

L

Y

T

T

S

A

binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (= S16), G17 (= G17), I18 (= I18), D37 (= D37), I38 (≠ L38), A62 (≠ V62), D63 (= D63), S64 (≠ V64), N90 (≠ H90), M141 (≠ T143), Y156 (= Y158), K160 (= K162), P186 (= P188), G187 (= G189), Y188 (≠ A190), I189 (= I191), L193 (= L196)

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
36% identity, 94% coverage: 3:251/264 of query aligns to 4:245/252 of 6vspB

query
sites
6vspB

R

R

L

F

E

D

G

N

K

K

N

V

V

V

I

I

T

T

G
|
G

A

A

A

G

S
x
N

G
|
G

I

M

G

G

R

E

A

A

Q

R

L

R

M

F

A

S

A

A

E

E

G

G

A

A

K

I

V

V

L

V

V

L

A

A

D
|
D

L
x
W

D

A

P

K

A

E

R

A

A

V

E

D

E

K

A

V

A

A

V

A

A

S

I

L

R

P

E

K

T

-

G

-

G

G

N

R

A

A

M

M

G

A

F

V

G

H

V
x
I

D
|
D

V
|
V

M

S

N

D

E

H

D

V

S

A

L

V

A

E

A

K

M

M

I

M

E

N

K

E

A

V

V

A

A

E

E

K

F

L

G

G

G

R

I

I

N

D

V

V

L

L

C

L

N

N

-

N

-

A

-
x
G

-

V

H

H

V

V

G

A

G

G

S

S

N

-

P

-

R

-

K

-

D

-

L

-

D

-

L

V

L

L

R

E

M

T

D

S

L

I

D

D

E

D

W

W

D

R

R

R

V

I

M

A

S

G

L

V

N

D

V

I

R

D

S

G

T

V

V

V

V

F

A

C

S

S

R

K

L

F

A

A

I

L

P

P

H

H

M

L

N

L

S

K

A

T

G

K

G

G

G

-

S

C

I

I

V

V

N

N

T

T

A

A

S
|
S

V

V

G

S

G

G

L

L

I

G

G

G

D

D

S

W

L

G

Q

A

S

A

A

Y

Y
|
Y

G

C

S

A

A

A

K

K

A

G

A

A

V

V

I

V

R

N

L

L

T

T

Q

R

Y

A

I

M

A

A

V

L

Q

D

Y

H

G

G

A

G

N

D

G

G

V

V

R

R

C

I

N

N

A

S

V

V

A

C

P

P

G

S

A

L

I

V

M

K

T

T

P

N

A

-

L

M

V

T

D

N

N

G

I

W

P

P

A

Q

D

E

V

I

I

R

D

D

G

K

M

F

K

N

Q

E

A

R

N

I

A

A

L

L

P

G

Y

R

L

A

G

A

E

E

P

P

E

E

D

E

I

V

A

A

H

A

A

V

M

M

V

A

Y

F

L

L

A

A

S

S

D

D

E

D

S

A

R

S

Y

F

M

I

T

N

G

G

Q

A

T

N

L

I

V

P

V

V

D

D

G

G

L

A

T

T

S

A

active site: G18 (= G17), S140 (= S145),