SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PfGW456L13_3453 Short-chain dehydrogenase/reductase SDR 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)
38% identity, 93% coverage: 5:257/272 of query aligns to 1:254/262 of G9FRD7

query
sites
G9FRD7

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SSTRGI 13:18 (≠ GAGSGI 17:22) binding
R38 (≠ L42) binding ; mutation to D: Loss of catalytic activity.
NA 63:64 (≠ DV 64:65) binding
N90 (= N91) binding
T145 (≠ S148) binding
Y158 (= Y161) binding ; binding
K162 (= K165) binding
IGTRA 191:195 (≠ IRTPA 194:198) binding

Sites not aligning to the query:

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

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
38% identity, 94% coverage: 3:258/272 of query aligns to 3:258/258 of 4wecA

query
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4wecA

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active site: G21 (= G21), S143 (= S148), Q154 (= Q158), Y157 (= Y161), K161 (= K165)
binding nicotinamide-adenine-dinucleotide: G17 (= G17), A19 (≠ G19), S20 (= S20), G21 (= G21), I22 (= I22), D41 (= D41), I42 (≠ L42), D43 (≠ F43), V61 (= V63), D62 (= D64), V63 (= V65), N89 (= N91), A90 (= A92), G91 (≠ V93), I92 (≠ Y94), T141 (= T146), A142 (≠ S147), S143 (= S148), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), P189 (≠ V193), V190 (≠ I194)

5epoA The three-dimensional structure of clostridium absonum 7alpha- hydroxysteroid dehydrogenase (see paper)
38% identity, 93% coverage: 6:257/272 of query aligns to 1:253/261 of 5epoA

query
sites
5epoA

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active site: G16 (= G21), T144 (≠ S148), I152 (= I156), Y157 (= Y161), K161 (= K165), R193 (≠ P197)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S12 (≠ G17), T14 (≠ G19), R15 (≠ S20), G16 (= G21), I17 (= I22), R37 (≠ L42), F61 (≠ V63), N62 (≠ D64), A63 (≠ V65), R64 (≠ G66), N89 (= N91), Y90 (= Y94), G91 (≠ R95), I142 (≠ T146), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), L189 (≠ V193), I190 (= I194), T192 (= T196), R193 (≠ P197), A194 (= A198), A195 (≠ M199)
binding taurochenodeoxycholic acid: G92 (≠ N96), T93 (≠ P97), N94 (≠ A98), T144 (≠ S148), G146 (≠ S150), D151 (≠ E155), R154 (≠ Q158), Y157 (= Y161), G188 (= G192), L189 (≠ V193), A194 (= A198), A195 (≠ M199), N198 (≠ W202), M199 (≠ A203), F203 (≠ M207)

Q8JZV9 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Mus musculus (Mouse) (see paper)
39% identity, 91% coverage: 7:253/272 of query aligns to 3:244/245 of Q8JZV9

query
sites
Q8JZV9

R

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Y147 (= Y161) active site, Proton acceptor; mutation to F: Loss of function.

D4A1J4 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Rattus norvegicus (Rat) (see paper)
39% identity, 91% coverage: 7:253/272 of query aligns to 3:244/245 of D4A1J4

query
sites
D4A1J4

R

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N

N

V

A

A

V

G

Y

F

R

V

N

H

P

H

A

G

T

T

T

I

R

L

D

D

I

C

D

E

F

E

I

K

N

D

F

W

N

D

T

F

E

S

L

-

F

-

H

-

N

-

C

-

M

M

R

N

V

L

N

N

V

V

L

R

G

S

G

M

V

Y

L

L

A

M

C

I

K

K

Y

A

A

F

L

L

P

P

H

K

M

M

L

L

A

A

Q

Q

G

K

S

S

G

G

S

N

I

I

L

I

F

N

T

M

S

S

T

V

-

A

S

S

I

I

A

K

G

G

E

V

I

E

S

N

Q

R

F

C

S

V

Y
|
Y

G

S

A

A

S

T

K

K

A

A

L

V

N

I

W

G

Y

L

V

T

Q

K

T

S

I

V

A

A

T

D

F

F

G

I

K

Q

R

Q

G

G

I

I

R

R

C

C

N

N

G

C

I

V

L

C

P

P

G

G

V

T

I

V

R

D

T

T

P

P

A

S

M

L

E

Q

S

E

W

R

-

I

-

Q

-

A

-

R

-

D

A

P

N

K

E

E

A

A

M

L

K

K

S

-

A

A

F

F

L

L

D

N

L

R

Q

Q

N

K

V

T

P

G

Q

R

L

F

G

A

E

S

P

A

E

E

D

E

I

V

A

A

A

L

M

L

A

C

A

V

F

Y

L

L

A

A

S

S

D

D

D

E

A

S

A

A

Y

Y

V

V

N

T

G

G

T

T

L

P

M

V

R

V

V

I

D

D

G

G

M

W

S

S

Y147 (= Y161) mutation to F: Loss of function.

4nbuB Crystal structure of fabg from bacillus sp (see paper)
38% identity, 91% coverage: 5:252/272 of query aligns to 2:242/244 of 4nbuB

query
sites
4nbuB

L

M

K

S

R

R

L

L

D

Q

G

D

K

K

V

V

C

A

V

I

I

I

T

T

G
|
G

A

A

G
x
A

S
x
N

G
|
G

I
|
I

G

G

R

L

A

E

S

A

A

A

L

R

R

V

F

F

A

M

R

K

E

E

G

G

A

A

T

K

V

V

V

I

T

A

D
|
D

L

-

F
|
F

A
x
N

E

E

S

A

A

A

Q

G

A

K

V

E

A

A

A

V

E

E

I

A

G

N

V

P

N

G

A

V

L

V

V

F

L

I

Q

R

V
|
V

D
|
D

V
|
V

G

S

Q

D

E

R

D

E

A

S

L

V

R

H

E

R

M

L

V

V

E

E

Q

N

T

V

V

A

R

E

T

R

F

F

G

G

R

K

I

I

D

D

V

I

L

L

F

I

N

N

N
|
N

A
|
A

V

-

Y

-

R

-

N

-

P

-

A
x
G

T
x
I

T
|
T

R

R

D
|
D

I

S

D

M

F

L

I

S

N
x
K

F

M

N

T

T

V

E

D

L

Q

F

F

H

Q

N

Q

C

V

M

I

R

N

V
|
V

N
|
N

V

-

L

L

G

T

G

G

V

V

L

F

A

H

C

C

K

T

Y

Q

A

A

-

V

L

L

P

P

H

Y

M

M

L

A

A

E

Q

Q

G

G

S

K

G

G

S

K

I

I

L

I

F

N

T
|
T

S
|
S

T

V

S
x
T

S

G

I

T

A

Y

G

G

E
x
N

I
x
V

S
x
G

Q
|
Q

F

T

S

N

Y
|
Y

G

A

A

A

S

A

K
|
K

A

A

A

G

L

V

N

I

W

G

Y

M

V

T

Q

K

T

T

I

W

A

A

A

K

T

E

F

L

G

A

K

R

R

K

G

G

I

I

R

N

C

V

N

N

G

A

I

V

L

A

P
|
P

G
|
G

V
x
F

I
x
T

R

E

T
|
T

P

-

A
|
A

M
|
M

E
x
V

S

A

W

E

A

V

N

P

E

E

A

K

M

V

K

I

S

E

A
x
K

F

M

L

K

D

A

L

Q

Q

V

N

P

V

M

P

G

Q

R

L

L

G

G

E

K

P

P

E

E

D

D

I

I

A

A

A

N

M

A

A

Y

A

L

F

F

L

L

A

A

S

S

D

H

D

E

A

S

A

D

Y

Y

V

V

N

N

G

G

T

H

L

V

M

L

R

H

V

V

D

D

G

G

M

I

active site: G18 (= G21), N111 (= N120), S139 (= S148), Q149 (= Q158), Y152 (= Y161), K156 (= K165)
binding acetoacetyl-coenzyme a: T91 (= T100), D93 (= D102), K98 (≠ N107), S139 (= S148), T141 (≠ S150), N146 (≠ E155), V147 (≠ I156), G148 (≠ S157), Q149 (= Q158), Y152 (= Y161), F184 (≠ V193), M189 (= M199), K200 (≠ A210)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G17), A16 (≠ G19), N17 (≠ S20), G18 (= G21), I19 (= I22), D38 (= D41), F39 (= F43), N40 (≠ A44), V59 (= V63), D60 (= D64), V61 (= V65), N87 (= N91), A88 (= A92), G89 (≠ A98), I90 (≠ T99), V110 (= V119), T137 (= T146), S138 (= S147), S139 (= S148), Y152 (= Y161), K156 (= K165), P182 (= P191), G183 (= G192), F184 (≠ V193), T185 (≠ I194), T187 (= T196), A188 (= A198), M189 (= M199), V190 (≠ E200)

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
36% identity, 93% coverage: 7:259/272 of query aligns to 4:252/252 of 6vspB

query
sites
6vspB

R

R

L

F

D

D

G

N

K

K

V

V

C

V

V

V

I

I

T

T

G
|
G

A

A

G
|
G

S
x
N

G
|
G

I

M

G

G

R

E

A

A

S

A

A

A

L

R

R

R

F

F

A

S

R

A

E

E

G

G

A

A

T

I

V

V

V

L

T

A

D
|
D

L
x
W

F

A

A

K

E

E

S

A

A

V

Q

D

A

K

V

V

A

A

E

S

I

L

G

P

V

K

N

G

-

R

A

A

L

M

V

A

L

V

Q

H

V
x
I

D
|
D

V
|
V

G

S

Q

D

E

H

D

V

A

A

L

V

R

E

E

K

M

M

V

M

E

N

Q

E

T

V

V

A

R

E

T

K

F

L

G

G

R

R

I

I

D

D

V

V

L

L

F

L

N

N

A
|
A

V
x
G

Y

V

R

H

N

V

P

A

A

G

T

S

T

V

R

-

D

-

I

-

D

-

F

-

I

L

N

E

F

T

N

S

T

I

E

D

L

D

F

W

H

R

N

R

C

I

M

A

R

G

V
|
V

N

D

V

I

L

D

G

G

G

V

V

V

L

F

A

C

C

S

K

K

Y

F

A

A

L

L

P

P

H

H

M

L

L

L

A

-

Q

K

G

T

S

K

G

G

S

C

I

I

L

V

F

N

T

T

S

A

S
|
S

T

V

S

S

S

G

I

L

A

G

G

G

E

D

I

W

S

G

Q

A

F

A

S

Y

Y
|
Y

G

C

A

A

S

A

K

K

A

G

A

A

L

V

N

V

W

N

Y

L

V

T

Q

R

T

A

I

M

A

A

A

L

T

D

F

H

G

G

K

G

R

D

G

G

I

V

R

R

C

I

N

N

G

S

I

V

L

C

P

P

G

S

V

L

I

V

R

K

T

T

P

N

A

M

M

T

E

N

S

G

W

W

A

P

N

Q

E

E

A

-

M

I

K

R

S

D

A

K

F

F

L

N

D

E

L

R

Q

I

N

A

V

L

P

G

Q

R

L

A

G

A

E

E

P

P

E

E

D

E

I

V

A

A

M

V

A

M

A

A

F

F

L

L

A

A

S

S

D

D

A

A

A

S

Y

F

V

I

N

N

G

G

T

A

L

N

M

I

R

P

V

V

D

D

G

G

-

A

-

T

M

A

S

S

C

D

G

G

T

A

P

P

M

K

V

I

active site: G18 (= G21), S140 (= S148), Y153 (= Y161)
binding adenosine-5'-diphosphate: G14 (= G17), G16 (= G19), N17 (≠ S20), D38 (= D41), W39 (≠ L42), I61 (≠ V63), D62 (= D64), V63 (= V65), A90 (= A92), G91 (≠ V93), V112 (= V119)

6vspA Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
36% identity, 93% coverage: 7:259/272 of query aligns to 2:250/251 of 6vspA

query
sites
6vspA

R

R

L

F

D

D

G

N

K

K

V

V

C

V

V

V

I

I

T

T

G
|
G

A

A

G
|
G

S
x
N

G
|
G

I
x
M

G

G

R

E

A

A

S

A

A

A

L

R

R

R

F

F

A

S

R

A

E

E

G

G

A

A

T

I

V

V

V

L

T

A

D
|
D

L
x
W

F
x
A

A

K

E

E

S

A

A

V

Q

D

A

K

V

V

A

A

E

S

I

L

G

P

V

K

N

G

-

R

A

A

L

M

V

A

L

V

Q

H

V
x
I

D
|
D

V
|
V

G

S

Q

D

E

H

D

V

A

A

L

V

R

E

E

K

M

M

V

M

E

N

Q

E

T

V

V

A

R

E

T

K

F

L

G

G

R

R

I

I

D

D

V

V

L

L

F

L

N

N

N
|
N

A
|
A

V
x
G

Y
x
V

R

H

N

V

P

A

A

G

T

S

T

V

R

-

D

-

I

-

D

-

F

-

I

L

N

E

F

T

N

S

T

I

E

D

L

D

F

W

H

R

N

R

C

I

M

A

R

G

V
|
V

N

D

V

I

L

D

G

G

G

V

V

V

L

F

A

C

C

S

K

K

Y

F

A

A

L

L

P

P

H

H

M

L

L

L

A

-

Q

K

G

T

S

K

G

G

S

C

I

I

L

V

F

N

T
|
T

S
x
A

S
|
S

T

V

S

S

S

G

I

L

A

G

G

G

E

D

I

W

S

G

Q

A

F

A

S

Y

Y
|
Y

G

C

A

A

S

A

K
|
K

A

G

A

A

L

V

N

V

W

N

Y

L

V

T

Q

R

T

A

I

M

A

A

A

L

T

D

F

H

G

G

K

G

R

D

G

G

I

V

R

R

C

I

N

N

G

S

I

V

L

C

P
|
P

G
x
S

V
x
L

I
x
V

R

K

T
|
T

P
x
N

A
x
M

M
x
T

E
x
N

S

G

W

W

A

P

N

Q

E

E

A

-

M

I

K

R

S

D

A

K

F

F

L

N

D

E

L

R

Q

I

N

A

V

L

P

G

Q

R

L

A

G

A

E

E

P

P

E

E

D

E

I

V

A

A

M

V

A

M

A

A

F

F

L

L

A

A

S

S

D

D

A

A

A

S

Y

F

V

I

N

N

G

G

T

A

L

N

M

I

R

P

V

V

D

D

G

G

-

A

-

T

M

A

S

S

C

D

G

G

T

A

P

P

M

K

V

I

active site: G16 (= G21), S138 (= S148), Y151 (= Y161)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), G14 (= G19), N15 (≠ S20), G16 (= G21), M17 (≠ I22), D36 (= D41), W37 (≠ L42), W37 (≠ L42), A38 (≠ F43), I59 (≠ V63), D60 (= D64), V61 (= V65), N87 (= N91), A88 (= A92), G89 (≠ V93), V90 (≠ Y94), V110 (= V119), T136 (= T146), A137 (≠ S147), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (= P191), S182 (≠ G192), L183 (≠ V193), V184 (≠ I194), T186 (= T196), N187 (≠ P197), N187 (≠ P197), M188 (≠ A198), T189 (≠ M199), N190 (≠ E200)

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)
36% identity, 93% coverage: 7:259/272 of query aligns to 2:250/251 of H9XP47

query
sites
H9XP47

R

R

L

F

D

D

G

N

K

K

V

V

C

V

V

V

I

I

T

T

G

G

A

A

G

G

S
x
N

G

G

I
x
M

G

G

R

E

A

A

S

A

A

A

L

R

R

R

F

F

A

S

R

A

E

E

G

G

A

A

T

I

V

V

V

L

T

A

D
|
D

L

W

F

A

A

K

E

E

S

A

A

V

Q

D

A

K

V

V

A

A

E

S

I

L

G

P

V

K

-

G

N

R

A

A

L

M

V

A

L

V

Q

H

V

I

D
|
D

V
|
V

G

S

Q

D

E

H

D

V

A

A

L

V

R

E

E

K

M

M

V

M

E

N

Q

E

T

V

V

A

R

E

T

K

F

L

G

G

R

R

I

I

D

D

V

V

L

L

F

L

N

N

N
|
N

A

A

V

G

Y

V

R

H

N

V

P

A

A

G

T

S

T

V

R

-

D

-

I

-

D

-

F

-

I

L

N

E

F

T

N

S

T

I

E

D

L

D

F

W

H

R

N

R

C

I

M

A

R

G

V

V

N

D

V

I

L

D

G

G

G

V

V

V

L

F

A

C

C

S

K

K

Y

F

A

A

L

L

P

P

H

H

M

L

L

L

A

-

Q

K

G

T

S

K

G

G

S

C

I

I

L

V

F

N

T

T

S

A

S
|
S

T
x
V

S
|
S

S

G

I

L

A

G

G

G

E

D

I

W

S

G

Q

A

F

A

S

Y

Y
|
Y

G

C

A

A

S

A

K
|
K

A

G

A

A

L

V

N

V

W

N

Y

L

V

T

Q

R

T

A

I

M

A

A

A

L

T

D

F

H

G

G

K

G

R

D

G

G

I

V

R

R

C

I

N

N

G

S

I

V

L

C

P

P

G

S

V

L

I
x
V

R

K

T
|
T

P

N

A

M

M

T

E

N

S

G

W

W

A

P

N

Q

E

E

A

-

M

I

K
x
R

S
x
D

A
x
K

F

F

L

N

D

E

L

R

Q

I

N

A

V

L

P

G

Q

R

L

A

G

A

E

E

P

P

E

E

D

E

I

V

A

A

M

V

A

M

A

A

F

F

L

L

A

A

S

S

D

D

A

A

A

S

Y

F

V

I

N

N

G

G

T

A

L

N

M

I

R

P

V

V

D

D

G

G

-

A

-

T

M

A

S

S

C

D

G

G

T
x
Q

P

P

M

K

V

I

N15 (≠ S20) binding
M17 (≠ I22) binding
D36 (= D41) binding
D60 (= D64) binding
V61 (= V65) binding
N87 (= N91) binding
S138 (= S148) binding ; binding
V139 (≠ T149) mutation to Q: Retains 50% of activity with acetoin as substrate; when associated with A-247.
S140 (= S150) binding
Y151 (= Y161) binding ; binding ; binding
K155 (= K165) binding
V184 (≠ I194) binding
T186 (= T196) binding
RDK 197:199 (≠ KSA 208:210) mutation to SEAAGKPLGYGTET: Mimics longer alpha6 helix. Retains 3% of activity with acetoin as substrate.
Q247 (≠ T256) mutation to A: Retains 10% of activity with acetoin as substrate. Retains 50% of activity with acetoin as substrate; when associated with Q-139.

6xewA Structure of serratia marcescens 2,3-butanediol dehydrogenase (see paper)
36% identity, 93% coverage: 7:259/272 of query aligns to 2:250/251 of 6xewA

query
sites
6xewA

R

R

L

F

D

D

G

N

K

K

V

V

C

V

V

V

I

I

T

T

G
|
G

A

A

G
|
G

S
x
N

G
|
G

I
x
M

G

G

R

E

A

A

S

A

A

A

L

R

R

R

F

F

A

S

R

A

E

E

G

G

A

A

T

I

V

V

V

L

T

A

D
|
D

L
x
W

F
x
A

A

K

E

E

S

A

A

V

Q

D

A

K

V

V

A

A

E

S

I

L

G

P

V

K

-

G

N

R

A

A

L

M

V

A

L

V

Q

H

V
x
I

D
|
D

V
|
V

G

S

Q

D

E

H

D

V

A

A

L

V

R

E

E

K

M

M

V

M

E

N

Q

E

T

V

V

A

R

E

T

K

F

L

G

G

R

R

I

I

D

D

V

V

L

L

F

L

N

N

N
|
N

A
|
A

V
x
G

Y
x
V

R

H

N

V

P

A

A

G

T

S

T

V

R

-

D

-

I

-

D

-

F

-

I

L

N

E

F

T

N

S

T

I

E

D

L

D

F

W

H

R

N

R

C

I

M

A

R

G

V
|
V

N

D

V

I

L

D

G

G

G

V

V

V

L

F

A

C

C

S

K

K

Y

F

A

A

L

L

P

P

H

H

M

L

L

L

A

-

Q

K

G

T

S

K

G

G

S

C

I

I

L

V

F

N

T
|
T

S
x
A

S
|
S

T

V

S
|
S

S

G

I

L

A

G

G

G

E

D

I

W

S

G

Q

A

F

A

S

Y

Y
|
Y

G

C

A

A

S

A

K
|
K

A

G

A

A

L

V

N

V

W

N

Y

L

V

T

Q

R

T

A

I

M

A

A

A

L

T

D

F

H

G

G

K

G

R

D

G

G

I

V

R

R

C

I

N

N

G

S

I

V

L

C

P
|
P

G
x
S

V
x
L

I
x
V

R

K

T
|
T

P
x
N

A
x
M

M
x
T

E

N

S

G

W
|
W

A

P

N

Q

E

E

A

-

M

I

K

R

S

D

A

K

F

F

L

N

D

E

L

R

Q

I

N

A

V

L

P

G

Q

R

L

A

G

A

E

E

P

P

E

E

D

E

I

V

A

A

M

V

A

M

A

A

F

F

L

L

A

A

S

S

D

D

A

A

A

S

Y

F

V

I

N

N

G

G

T

A

L

N

M

I

R

P

V

V

D

D

G

G

-

A

-

T

M

A

S

S

C

D

G

G

T

Q

P

P

M

K

V

I

active site: G16 (= G21), S138 (= S148), Y151 (= Y161)
binding r,3-hydroxybutan-2-one: S138 (= S148), S140 (= S150), Y151 (= Y161), S182 (≠ G192), L183 (≠ V193), M188 (≠ A198), W192 (= W202)
binding s,3-hydroxybutan-2-one: S138 (= S148), S140 (= S150), Y151 (= Y161), P181 (= P191), S182 (≠ G192), L183 (≠ V193), W192 (= W202)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), G14 (= G19), N15 (≠ S20), G16 (= G21), M17 (≠ I22), D36 (= D41), W37 (≠ L42), W37 (≠ L42), A38 (≠ F43), A38 (≠ F43), I59 (≠ V63), D60 (= D64), V61 (= V65), N87 (= N91), A88 (= A92), G89 (≠ V93), V90 (≠ Y94), V110 (= V119), T136 (= T146), A137 (≠ S147), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (= P191), S182 (≠ G192), L183 (≠ V193), V184 (≠ I194), T186 (= T196), N187 (≠ P197), N187 (≠ P197), M188 (≠ A198), T189 (≠ M199)

3toxA Crystal structure of a short chain dehydrogenase in complex with NAD(p) from sinorhizobium meliloti 1021
40% identity, 92% coverage: 6:254/272 of query aligns to 1:252/254 of 3toxA

query
sites
3toxA

K

S

R

R

L

L

D

E

G

G

K

K

V

I

C

A

V

I

I

V

T

T

G
|
G

A

A

G
x
S

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

S

A

A

A

L

L

R

L

F

F

A

A

R

R

E

E

G

G

A

A

T

K

V

V

T

T

D
x
A

L
x
R

F
x
N

A

G

E

N

S

A

A

L

Q

A

A

E

V

L

A

T

A

D

E

E

I

I

-

A

-

G

G

G

V

G

N

E

A

A

L

A

V

A

L

L

Q

A

V
x
G

D
|
D

V
|
V

G

G

Q

D

E

E

D

A

A

L

L

H

R

E

E

A

M

L

V

V

E

E

Q

L

T

A

V

V

R

R

T

R

F

F

G

G

R

G

I

L

D

D

V

T

L

A

F

F

N

N

N
|
N

A
|
A

V

-

Y

-

R

-

N

-

P
x
G

A

A

T

L

T

G

R

A

D

M

I

G

D

E

F

I

I

S

N

S

F

L

N

S

T

V

E

E

L

G

F

W

H

R

N

E

C

T

M

L

R

D

V
x
T

N

N

V

L

L

T

G

S

G

A

V

F

L

L

A

A

C

A

K

K

Y

Y

A

Q

L

V

P

P

H

A

M

I

L

A

A

A

Q

L

G

G

S

G

G

G

S

S

I

L

L

T

F

F

T
|
T

S
|
S

-

F

T

V

S

G

S

H

I

T

A

A

G

G

E

F

I

A

S

G

Q
x
V

F

A

S

P

Y
|
Y

G

A

A

A

S

S

K
|
K

A

A

A

G

L

L

N

I

W

G

Y

L

V

V

Q

Q

T

A

I

L

A

A

A

V

T

E

F

L

G

G

K

A

R

R

G

G

I

I

R

R

C

V

N

N

G

A

I

L

L

L

P
|
P

G
|
G

V
x
G

I
x
T

R

D

T
|
T

P
|
P

A
|
A

M

-

E

-

S
x
N

W

F

A

A

N

N

-

L

-

P

-

G

-

A

E

A

A

P

M

E

K

T

S

R

A

G

F

F

L

V

D

E

-

G

L

L

Q

H

N

A

V

L

P

K

Q

R

L

I

G

A

E

R

P

P

E

E

D

E

I

I

A

A

A

E

M

A

A

A

A

L

F

Y

L

L

A

A

S

S

D

D

D

G

A

A

A

S

Y

F

V

V

N

T

G

G

T

A

L

A

M

L

R

L

V

A

D

D

G

G

M

A

S

S

C

V

active site: G16 (= G21), S142 (= S148), V153 (≠ Q158), Y156 (= Y161), K160 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G17), S14 (≠ G19), S15 (= S20), G16 (= G21), I17 (= I22), A36 (≠ D41), R37 (≠ L42), N38 (≠ F43), G61 (≠ V63), D62 (= D64), V63 (= V65), N89 (= N91), A90 (= A92), G91 (≠ P97), T113 (≠ V119), T140 (= T146), S141 (= S147), S142 (= S148), Y156 (= Y161), K160 (= K165), P186 (= P191), G187 (= G192), G188 (≠ V193), T189 (≠ I194), T191 (= T196), P192 (= P197), A193 (= A198), N194 (≠ S201)

Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
38% identity, 91% coverage: 6:252/272 of query aligns to 3:246/249 of Q5P5I4

query
sites
Q5P5I4

K

Q

R

R

L

L

D

K

G

D

K

K

V

L

C

A

V

V

I

I

T

T

G

G

A

G

G

A

S
x
N

G
|
G

I
|
I

G

G

R

R

A

A

S

I

A

A

L

E

R

R

F

F

A

A

R

V

E

E

G

G

A

A

T

D

V

I

V

A

V

I

T

A

D
|
D

L

L

F

V

-

P

A

A

E

P

S

E

A

A

Q

E

A

A

V

A

A

I

A

R

E

N

I

L

G

G

V

R

N

R

A

V

L

L

V

T

L

V

Q

K

V
x
C

D
|
D

V
|
V

G

S

Q

Q

E

P

D

G

A

D

L

V

R

E

E

A

M

F

V

G

E

K

Q

Q

T

V

V

I

R

S

T

T

F

F

G

G

R

R

I

C

D

D

V

I

L

L

F

V

N

N

N
|
N

A

A

-

G

V

I

Y
|
Y

R

-

N

-

P

P

A

L

T

-

R

-

D

-

I

I

D

P

F

F

I

D

N

E

F

L

N

T

T

F

E

E

L

Q

F

W

H

K

N

K

C

T

M

F

R

E

V

I

N

N

V

V

L

D

G

S

G

G

V

F

L

L

A

M

C

A

K

K

Y

A

A

F

L

V

P

P

H

G

M

M

L

K

A

R

Q

N

G

G

S

W

G

G

S

R

I

I

L

I

F

N

T

L

S

T

S

S

T

T

S

T

S

Y

I

W

A

L

G

K

E

I

I

E

S

A

Q

Y

F

T

S

H

Y

Y

G

I

A

S

S

T

K
|
K

A

A

L

N

N

I

W

G

Y

F

V

T

Q

R

T

A

I

L

A

A

A

S

T

D

F

L

G

G

K

K

R

D

G

G

I

I

R

T

C

V

N

N

G

A

I

I

L

A

P
|
P

G
x
S

V
x
L

I
x
V

R

R

T

T

P

A

A
x
T

M

T

E

E

S

A

W

S

A

A

N

L

E

S

A

A

M

M

K

F

S

D

A

V

F

L

L

P

D

N

-

M

L

L

Q

Q

N

A

V

I

P

P

Q

R

L

L

G

Q

E

V

P

P

E

L

D

D

I

L

A

T

A

G

M

A

A

A

F

F

L

L

A

A

S

S

D

D

A

A

A

S

Y

F

V

I

N

T

G

G

T

Q

L

T

M

L

R

A

V

V

D

D

G

G

M

M

NGI 17:19 (≠ SGI 20:22) binding
D38 (= D41) binding
CDV 61:63 (≠ VDV 63:65) binding
N89 (= N91) binding
Y93 (= Y94) binding
K158 (= K165) binding
PSLV 184:187 (≠ PGVI 191:194) binding
T191 (≠ A198) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
38% identity, 91% coverage: 6:252/272 of query aligns to 1:244/247 of 2ewmB

query
sites
2ewmB

K

Q

R

R

L

L

D

K

G

D

K

K

V

L

C

A

V

V

I

I

T

T

G
|
G

A

G

G

A

S
x
N

G
|
G

I
|
I

G

G

R

R

A

A

S

I

A

A

L

E

R

R

F

F

A

A

R

V

E

E

G

G

A

A

T

D

V

I

V

A

V

I

T

A

D
|
D

L
|
L

F

V

-

P

A

A

E

P

S

E

A

A

Q

E

A

A

V

A

A

I

A

R

E

N

I

L

G

G

V

R

N

R

A

V

L

L

V

T

L

V

Q

K

V
x
C

D
|
D

V
|
V

G

S

Q

Q

E

P

D

G

A

D

L

V

R

E

E

A

M

F

V

G

E

K

Q

Q

T

V

V

I

R

S

T

T

F

F

G

G

R

R

I

C

D

D

V

I

L

L

F

V

N

N

N
|
N

A
|
A

-
x
G

V

I

Y
|
Y

R

-

N

-

P

P

A

L

T

-

R

-

D

-

I

I

D

P

F

F

I

D

N

E

F

L

N

T

T

F

E

E

L

Q

F

W

H

K

N

K

C

T

M

F

R

E

V
x
I

N

N

V

V

L

D

G

S

G

G

V

F

L

L

A

M

C

A

K

K

Y

A

A

F

L

V

P

P

H

G

M

M

L

K

A

R

Q

N

G

G

S

W

G

G

S

R

I

I

L

I

F

N

T

L

S
x
T

S
|
S

T

T

S

T

S

Y

I

W

A

L

G

K

E

I

I

E

S

A

Q
x
Y

F

T

S

H

Y
|
Y

G

I

A

S

S

T

K
|
K

A

A

L

N

N

I

W

G

Y

F

V

T

Q

R

T

A

I

L

A

A

A

S

T

D

F

L

G

G

K

K

R

D

G

G

I

I

R

T

C

V

N

N

G

A

I

I

L

A

P
|
P

G
x
S

V
x
L

I
x
V

R

R

T
|
T

P

A

A
x
T

M
x
T

E

E

S

A

W

S

A

A

N

L

E

S

A

A

M

M

K

F

S

D

A

V

F

L

L

P

D

N

-

M

L

L

Q

Q

N

A

V

I

P

P

Q

R

L

L

G

Q

E

V

P

P

E

L

D

D

I

L

A

T

A

G

M

A

A

A

F

F

L

L

A

A

S

S

D

D

A

A

A

S

Y

F

V

I

N

T

G

G

T

Q

L

T

M

L

R

A

V

V

D

D

G

G

M

M

active site: G16 (= G21), S139 (= S148), Y149 (≠ Q158), Y152 (= Y161), K156 (= K165)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), N15 (≠ S20), G16 (= G21), I17 (= I22), D36 (= D41), L37 (= L42), C59 (≠ V63), D60 (= D64), V61 (= V65), N87 (= N91), A88 (= A92), G89 (vs. gap), Y91 (= Y94), I110 (≠ V119), T138 (≠ S147), S139 (= S148), Y152 (= Y161), K156 (= K165), P182 (= P191), S183 (≠ G192), L184 (≠ V193), V185 (≠ I194), T187 (= T196), T189 (≠ A198), T190 (≠ M199)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
32% identity, 90% coverage: 8:253/272 of query aligns to 3:246/248 of 6ixmC

query
sites
6ixmC

L

L

D

D

G

N

K

K

V

V

C

A

V

L

I

V

T

T

G
|
G

A

A

G
|
G

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

S

V

A

A

L

H

R

S

F

Y

A

A

R

K

E

E

G

G

A

A

T

K

V

V

V

I

V

V

T

S

D
|
D

L
x
I

F

N

A

E

E

D

S

H

A

G

Q

N

A

K

V

A

A

V

A

E

E

D

I

I

-

K

-

A

-

Q

G

G

V

G

N

E

A

A

L

S

V

F

L

V

Q

K

V
x
A

D
|
D

V
x
T

G

S

Q

N

E

P

D

E

A

E

L

V

R

E

E

A

M

L

V

V

E

K

Q

R

T

T

V

V

R

E

T

I

F

Y

G

G

R

R

I

L

D

D

V

I

L

A

F

C

N

N

N
|
N

A
|
A

-
x
G

V

I

Y

G

R

G

N

E

P

Q

A

A

T

L

T

A

R

G

D

D

I

-

D

-

F

-

I

-

N

-

F

Y

N

G

T

L

E

D

L

S

F

W

H

R

N

K

C

V

M

L

R

S

V

I

N

N

V

L

L

D

G

G

G

V

V

F

L

Y

A

G

C

C

K

K

Y

Y

A

E

L

L

P

E

H

Q

M

M

L

E

A

K

Q

N

G

G

S

G

G

G

S

V

I

I

L

V

F

N

T
x
M

S
x
A

S
|
S

T

I

S

H

S

G

I

I

A

V

G

A

E

A

I

P

S

L

Q

S

F

S

S

A

Y
|
Y

G

T

A

S

S

A

K
|
K

A

H

A

A

L

V

N

V

W

G

Y

L

V

T

Q

K

T

N

I

I

A

G

A

A

T

E

F

Y

G

G

K

Q

R

K

G

N

I

I

R

R

C

C

N

N

G

A

I

V

L

G

P
|
P

G
x
A

V
x
Y

I
|
I

R

E

T
|
T

P

P

A
x
L

M

L

E

E

S

S

W

L

A

T

N

K

E

E

A

-

M

M

K

K

S

E

A

A

F

L

L

I

D

S

L

K

Q

H

N

P

V

M

P

G

Q

R

L

L

G

G

E

K

P

P

E

E

D

E

I

V

A

A

A

E

M

L

A

V

A

L

F

F

L

L

A

S

S

S

D

E

D

K

A

S

Y

F

V

M

N

T

G

G

T

G

L

Y

M

Y

R

L

V

V

D

D

G

G

M

Y

S

T

active site: G16 (= G21), S142 (= S148), Y155 (= Y161), K159 (= K165)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), G14 (= G19), S15 (= S20), G16 (= G21), I17 (= I22), D36 (= D41), I37 (≠ L42), A61 (≠ V63), D62 (= D64), T63 (≠ V65), N89 (= N91), A90 (= A92), G91 (vs. gap), M140 (≠ T146), A141 (≠ S147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), A186 (≠ G192), Y187 (≠ V193), I188 (= I194), T190 (= T196), L192 (≠ A198)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
34% identity, 92% coverage: 6:254/272 of query aligns to 3:253/254 of 4fn4A

query
sites
4fn4A

K

Q

R

S

L

L

D

K

G

N

K

K

V

V

C

V

V

I

I

V

T

T

G
|
G

A

A

G
|
G

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

S

I

A

A

L

K

R

K

F

F

A

A

R

L

E

N

G

D

A

S

T

I

V

V

V

A

T

V

D
x
E

L
|
L

F
x
L

A

E

E

D

S
x
R

A

L

Q

N

A

Q

V

I

A

V

A

Q

E

E

I

L

-

R

-

G

-

M

G

G

V

K

N

E

A

V

L

L

V

G

L

V

Q

K

V
x
A

D
|
D

V
|
V

G

S

Q

K

E

K

D

K

A

D

L

V

R

E

E

E

M

F

V

V

E

R

Q

R

T

T

V

F

R

E

T

T

F

Y

G

S

R

R

I

I

D

D

V

V

L

L

F

C

N

N

N
|
N

A
|
A

V
x
G

Y
x
I

R

M

N

D

P

G

A

V

T

T

T

P

R

-

D

-

I

-

D

-

F

V

I

A

N

E

F

V

N

S

T

D

E

E

L

L

F

W

H

E

N

R

C

V

M

L

R

A

V
|
V

N

N

V

L

L

Y

G

S

G

A

V

F

L

Y

A

S

C

S

K

R

Y

A

A

V

L

I

P

P

H

I

M

M

L

L

A

K

Q

Q

G

G

S

K

G

G

S

V

I

I

L

V

F

N

T
|
T

S
x
A

S
|
S

T

I

S

A

S

G

I

I

A

R

G

G

E

G

I

F

S

A

Q

G

F

A

S

P

Y
|
Y

G

T

A

V

S

A

K
|
K

A

H

A

G

L

L

N

I

W

G

Y

L

V

T

Q

R

T

S

I

I

A

A

T

H

F

Y

G

G

K

D

R

Q

G

G

I

I

R

R

C

A

N

V

G

A

I

V

L

L

P
|
P

G
|
G

V
x
T

I
x
V

R

K

T
|
T

P
x
N

-
x
I

-

G

-

L

A

G

M

S

E

S

S

K

W

P

A
x
S

N

E

E

L

A

G

M

M

K

R

S

T

A

L

F

T

L

K

D

L

L

M

Q

S

N

L

V

S

P

S

Q

R

L

L

G

A

E

E

P

P

E

E

D

D

I

I

A

A

A

N

M

V

A

I

A

V

F

F

L

L

A

A

S

S

D

D

D

E

A

A

A

S

Y

F

V

V

N

N

G

G

T

D

L

A

M

V

R

V

V

V

D

D

G

G

M

L

S

T

C

V

active site: G18 (= G21), S144 (= S148), Y157 (= Y161), K161 (= K165), S202 (≠ A203)
binding nicotinamide-adenine-dinucleotide: G14 (= G17), G16 (= G19), S17 (= S20), G18 (= G21), I19 (= I22), E38 (≠ D41), L39 (= L42), L40 (≠ F43), R43 (≠ S46), A63 (≠ V63), D64 (= D64), V65 (= V65), N91 (= N91), A92 (= A92), G93 (≠ V93), I94 (≠ Y94), V115 (= V119), T142 (= T146), A143 (≠ S147), S144 (= S148), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), T189 (≠ V193), V190 (≠ I194), T192 (= T196), N193 (≠ P197), I194 (vs. gap)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
34% identity, 92% coverage: 4:253/272 of query aligns to 1:251/261 of P40288

query
sites
P40288

I

M

L

Y

K

K

R

D

L

L

D

E

G

G

K

K

V

V

C

V

V
|
V

I
|
I

T
|
T

G
|
G

A
x
S

G
x
S

S
x
T

G
|
G

I
x
L

G
|
G

R
x
K

A
x
S

S
x
M

A
|
A

L
x
I

R
|
R

F
|
F

A
|
A

R
x
T

E
|
E

G
x
K

A
|
A

T
x
K

V
|
V

V

V

T

N

D

Y

L

R

F

S

A

K

E

E

-

D

S

E

A

A

Q

N

A

S

V

V

A

L

A

E

E

E

I

I

-

K

-

V

G

G

V

G

N

E

A

A

L

I

V

A

L

V

Q

K

V

G

D

D

V

V

G

T

Q

V

E

E

D

S

A

D

L

V

R

I

E

N

M

L

V

V

E

Q

Q

S

T

A

V

I

R

K

T

E

F

F

G

G

R

K

I

L

D

D

V

V

L

M

F

I

N

N

A

A

V
&nb