SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_040388552.1 NCBI__GCF_000313915.1:WP_040388552.1 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)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
37% identity, 100% coverage: 1:272/273 of query aligns to 1:265/267 of Q9LBG2

query
sites
Q9LBG2

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17:42 (vs. 17:42, 58% identical) binding NAD(+)
E103 (≠ T101) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

1iy8A Crystal structure of levodione reductase (see paper)
37% identity, 96% coverage: 10:272/273 of query aligns to 1:256/258 of 1iy8A

query
sites
1iy8A

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active site: G15 (= G24), S143 (= S150), Q153 (≠ H160), Y156 (= Y163), K160 (= K167)
binding nicotinamide-adenine-dinucleotide: G11 (= G20), S14 (≠ G23), G15 (= G24), L16 (≠ I25), D35 (= D44), V36 (≠ Q45), A62 (≠ G69), D63 (= D70), V64 (≠ L71), N90 (= N97), G92 (= G99), I93 (= I100), T141 (≠ V148), S143 (= S150), Y156 (= Y163), K160 (= K167), P186 (= P193), G187 (= G194), T191 (= T198), P192 (= P199), M193 (= M200)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
40% identity, 96% coverage: 9:270/273 of query aligns to 3:242/244 of 4nbuB

query
sites
4nbuB

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active site: G18 (= G24), N111 (= N122), S139 (= S150), Q149 (≠ H160), Y152 (= Y163), K156 (= K167)
binding acetoacetyl-coenzyme a: D93 (≠ P104), K98 (≠ E109), S139 (= S150), N146 (≠ F157), V147 (≠ P158), Q149 (≠ H160), Y152 (= Y163), F184 (≠ T195), M189 (= M200), K200 (≠ Q228)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G20), N17 (≠ G23), G18 (= G24), I19 (= I25), D38 (= D44), F39 (≠ Q45), V59 (≠ G69), D60 (= D70), V61 (≠ L71), N87 (= N97), A88 (= A98), G89 (= G99), I90 (= I100), T137 (≠ V148), S139 (= S150), Y152 (= Y163), K156 (= K167), P182 (= P193), F184 (≠ T195), T185 (= T196), T187 (= T198), M189 (= M200)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
37% identity, 96% coverage: 11:273/273 of query aligns to 5:254/254 of 4fn4A

query
sites
4fn4A

F

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K

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active site: G18 (= G24), S144 (= S150), Y157 (= Y163), K161 (= K167), S202 (≠ A216)
binding nicotinamide-adenine-dinucleotide: G14 (= G20), S17 (≠ G23), G18 (= G24), I19 (= I25), E38 (≠ D44), L39 (≠ Q45), R43 (≠ M49), A63 (≠ G69), D64 (= D70), V65 (≠ L71), N91 (= N97), G93 (= G99), I94 (= I100), T142 (≠ V148), S144 (= S150), Y157 (= Y163), K161 (= K167), P187 (= P193), V190 (≠ T196), T192 (= T198), N193 (≠ P199), I194 (≠ L208)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme
37% identity, 95% coverage: 13:272/273 of query aligns to 6:248/249 of 8y83A

query
sites
8y83A

D

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K

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C

N

Q

E

A

A

L

L

V

V

Q

G

T

Y

A

A

I

V

E

K

K

T

Y

F

G

G

R

R

I

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A

A

G

G

I

I

T

G

G

G

I

E

P

A

A

A

P

L

V

T

H

G

E

D

M

Y

S

S

E

L

E

D

M

G

F

W

R

K

H

K

V

V

L

I

D

D

S

I

N

N

I

F

M

N

I

G

A

V

F

F

Y

Y

C

G

S

C

K

K

A

Y

T

Q

L

I

P

E

Y

A

M

M

M

E

E

R

Q

N

H

G

N

G

G

G

S

V

I

I

I

V

N

N

V
x
M

S

A

S

S

V

I

A

H

G

G

L

T

T

V

G

A

F

A

P

P

G

M

H

S

S

S

A

A

Y
|
Y

V

T

T

S

S

A

K
|
K

H

H

G

A

L

V

N

V

G

G

L

L

T

T

R

K

N

N

M

I

A

G

L

A

D

E

Y

Y

A

G

S

Q

Y

K

G

N

I

I

R

R

V

C

N

N

A

A

V

V

N

G

P
|
P

G
|
G

T
x
Y

T
x
I

Q

D

T

T

P

P

M

-

Y

-

D

-

E

-

A

-

L

-

A

-

F

-

L
|
L

A

L

S

A

K

K

R

L

E

D

K

K

A

-

K

-

E

-

G

-

T

-

E

-

P

-

E

-

D

E

N

H

I

I

V

N

Q

A

G

L

K

I

T

S

V

K

S

H

P

P

Q

I

K

G

R

R

V

L

A

G

A

K

A

A

E

E

V

V

A

A

N

E

G

L

I

V

L

L

F

F

L

L

A

S

S

S

E

D

E

K

A

S

S

S

N

F

I

M

T

T

G

G

V

G

Y

Y

L

Y

P

L

V

V

D

D

G

G

F

Y

T

T

A

A

binding nicotinamide-adenine-dinucleotide: G13 (= G20), S16 (≠ G23), G17 (= G24), I18 (= I25), D37 (= D44), I38 (≠ Q45), A62 (≠ G69), D63 (= D70), S64 (≠ L71), N90 (= N97), M141 (≠ V148), Y156 (= Y163), K160 (= K167), P186 (= P193), G187 (= G194), Y188 (≠ T195), I189 (≠ T196), L193 (= L208)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
38% identity, 95% coverage: 14:272/273 of query aligns to 7:259/260 of 6zzqA

query
sites
6zzqA

K

K

V

V

M

A

I

F

I

I

T

T

G
|
G

A

S

A

A

G
x
S

G
|
G

I
|
I

G

G

K

L

A

E

C

I

A

A

I

K

R

K

A

F

A

A

K

Q

E

E

G

G

A

A

K

K

L

V

V

V

L

I

G

S

D
|
D

Q
x
M

K

N

E

A

E

E

M

K

S

C

Q

Q

E

E

T

T

L

A

E

N

E

S

I

L

Q

K

K

E

I

Q

T

G

P

F

D

D

V

A

D

L

F

S

L

A

V

P

G

C

D
|
D

L
x
V

C

T

E

D

E

E

K

D

N

A

C

Y

Q

K

A

Q

L

A

V

I

Q

E

T

L

A

T

I

Q

E

K

K

T

Y

F

G

G

R

T

I

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

T
x
Q

G

H

I

V

P

-

A

A

P

P

V

I

H

E

E

E

M

F

S

P

E

T

E

A

M

V

F

F

R

Q

H

K

V

L

L

V

D

Q

S

V

N

M

I

L

M

T

I

G

A

A

F

F

Y

I

C

G

S

I

K

K

A

H

T

V

L

L

P

P

Y

I

M

M

M

K

E

A

Q

Q

H

K

N

Y

G

G

S

R

I

I

N

N

V
x
M

S
x
A

S
|
S

V

I

A

N

G

G

L

L

T

I

G

G

F

F

P

A

G

G

H
x
K

S

A

A

G

Y
|
Y

V

N

T

S

S

A

K
|
K

H

H

G

G

L

V

N

I

G

G

L

L

T

T

R

K

N

V

M

A

A

A

L

L

D

E

Y

C

A

A

S

R

Y

D

G

G

I

I

R

T

V

V

N

N

A

A

V

L

N

C

P

P

G

G

T
x
Y

T
x
V

Q

D

T
|
T

P

P

M

L

Y

V

D

R

E

G

A
x
Q

L

I

A

A

F

D

L

L

A

A

S

K

K

T

R

R

E

N

K

V

A

S

A

L

K

D

E

S

G

A

T

L

E

-

P

-

E

E

D

D

N

V

I

I

V

L

Q

-

G

-

K

-

T

A

V

M

S

V

P

P

Q

Q

K

K

R

R

V

L

A

L

A

S

A

V

E

E

V

I

A

A

N

D

G

Y

I

A

L

I

F

F

L

L

A

A

S

S

E

S

E

K

A

A

S

G

N

G

I

V

T

T

G

G

V

Q

Y

A

L

V

P

V

V

M

D

D

G

G

F

Y

T

T

A

A

active site: G17 (= G24), S142 (= S150), Y155 (= Y163)
binding acetoacetic acid: Q94 (≠ T101), S142 (= S150), K152 (≠ H160), Y155 (= Y163), Q196 (≠ A204)
binding nicotinamide-adenine-dinucleotide: G13 (= G20), S16 (≠ G23), G17 (= G24), I18 (= I25), D37 (= D44), M38 (≠ Q45), D63 (= D70), V64 (≠ L71), N90 (= N97), A91 (= A98), G92 (= G99), M140 (≠ V148), A141 (≠ S149), S142 (= S150), Y155 (= Y163), K159 (= K167), Y187 (≠ T195), V188 (≠ T196), T190 (= T198)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
38% identity, 95% coverage: 14:272/273 of query aligns to 8:260/261 of 6zzsD

query
sites
6zzsD

K

K

V

V

M

A

I

F

I

I

T

T

G
|
G

A

S

A

A

G
x
S

G
|
G

I
|
I

G

G

K

L

A

E

C

I

A

A

I

K

R

K

A

F

A

A

K

Q

E

E

G

G

A

A

K

K

L

V

V

V

L

I

G

S

D
|
D

Q
x
M

K

N

E

A

E

E

M

K

S

C

Q

Q

E

E

T

T

L

A

E

N

E

S

I

L

Q

K

K

E

I

Q

T

G

P

F

D

D

V

A

D

L

F

S

L

A

V

P

G

C

D
|
D

L
x
V

C

T

E

D

E

E

K

D

N

A

C

Y

Q

K

A

Q

L

A

V

I

Q

E

T

L

A

T

I

Q

E

K

K

T

Y

F

G

G

R

T

I

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

T
x
Q

G

H

I

V

P

-

A

A

P

P

V

I

H

E

E

E

M

F

S

P

E

T

E

A

M

V

F

F

R

Q

H

K

V

L

L

V

D

Q

S

V

N

M

I

L

M

T

I

G

A

A

F

F

Y

I

C

G

S

I

K

K

A

H

T

V

L

L

P

P

Y

I

M

M

M

K

E

A

Q

Q

H

K

N

Y

G

G

S

R

I

I

N

N

V
x
M

S
x
A

S
|
S

V

I

A
x
N

G

G

L

L

T

I

G

G

F

F

P

A

G

G

H
x
K

S

A

A

G

Y
|
Y

V

N

T

S

S

A

K
|
K

H

H

G

G

L

V

N

I

G

G

L

L

T

T

R

K

N

V

M

A

A

A

L

L

D

E

Y

C

A

A

S

R

Y

D

G

G

I

I

R

T

V

V

N

N

A

A

V

L

N

C

P
|
P

G
|
G

T

Y

T
x
V

Q

D

T
|
T

P

P

M
x
L

Y

V

D

R

E

G

A
x
Q

L

I

A

A

F

D

L

L

A

A

S

K

K

T

R

R

E

N

K

V

A

S

A

L

K

D

E

S

G

A

T

L

E

-

P

-

E

E

D

D

N

V

I

I

V

L

Q

-

G

-

K

-

T

A

V

M

S

V

P

P

Q

Q

K

K

R

R

V

L

A

L

A

S

A

V

E

E

V

I

A

A

N

D

G

Y

I

A

L

I

F

F

L

L

A

A

S

S

E

S

E

K

A

A

S

G

N

G

I

V

T

T

G

G

V

Q

Y

A

L

V

P

V

V

M

D

D

G

G

F

Y

T

T

A

A

active site: G18 (= G24), S143 (= S150), Y156 (= Y163)
binding nicotinamide-adenine-dinucleotide: G14 (= G20), S17 (≠ G23), I19 (= I25), D38 (= D44), M39 (≠ Q45), D64 (= D70), V65 (≠ L71), N91 (= N97), A92 (= A98), G93 (= G99), M141 (≠ V148), A142 (≠ S149), S143 (= S150), Y156 (= Y163), K160 (= K167), P186 (= P193), G187 (= G194), V189 (≠ T196), T191 (= T198), L193 (≠ M200)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ T101), S143 (= S150), N145 (≠ A152), K153 (≠ H160), Y156 (= Y163), Q197 (≠ A204)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
39% identity, 96% coverage: 10:272/273 of query aligns to 4:254/255 of 5itvA

query
sites
5itvA

R

N

F

L

K

T

D

D

K

K

V

T

M

V

I

L

I

I

T

T

G
|
G

A

G

A

A

G
x
S

G
|
G

I
|
I

G

G

K

Y

A

A

C

A

A

V

I

Q

R

A

A

F

A

L

K

G

E

Q

G

Q

A

A

K

N

L

V

V

V

L

V

G

A

D
|
D

Q
x
I

K

D

E

E

E

A

M

Q

S

G

Q

E

E

A

T

M

L

-

E

-

I

V

Q

R

K

K

I

E

T

N

P

N

D

D

-

R

V

L

D

H

F

F

L

V

V

Q

G
x
T

D

D

L
x
I

C

T

E

D

E

E

K

A

N

A

C

C

Q

Q

A

H

L

A

V

V

Q

E

T

S

A

A

I

V

E

H

K

T

Y

F

G

G

R

G

I

L

D

D

I

V

L

L

V

I

N

N

N
|
N

A

A

G
|
G

I

I

T

E

G

-

I

I

P

V

A

A

P

P

V

I

H

H

E

E

M

M

S

E

E

L

E

S

M

D

F

W

R

N

H

K

V

V

L

L

D

Q

S

V

N

N

I

L

M

T

I

G

A

M

F

F

Y

L

C

M

S

S

K

K

A

H

T

A

L

L

P

K

Y

H

M

M

M

L

E

A

Q

A

H

G

N

K

G

G

S

N

I

I

N

N

V
x
T

S

C

S
|
S

V

V

A

G

G

G

L

L

T

V

G

A

F

W

P

P

G

D

H

I

S

P

A

A

Y
|
Y

V

N

T

A

S

S

K
|
K

H

G

G

G

L

V

N

L

G

Q

L

L

T

T

R

K

N

S

M

M

A

A

L

V

D

D

Y

Y

A

A

S

K

Y

H

G

Q

I

I

R

R

V

V

N

N

A

C

V

V

N

C

P
|
P

G
|
G

T
x
I

Q

D

T

T

P

P

M

L

Y

N

D

E

E

K

A

-

L

-

A

S

F

F

L

L

A

E

S

N

K

-

R

-

E

-

K

-

A

-

K

N

E

E

G

G

T

T

E

L

P

E

E

E

D

I

N

K

I

K

V

E

Q

K

G

A

K

K

T

-

V

V

S

N

P

P

Q

L

K

L

R

R

V

L

A

G

A

K

A

P

E

E

V

I

A

A

N

N

G

V

I

M

L

L

F

F

L

L

A

A

S

S

E

D

E

L

A

S

S

S

N

Y

I

M

T

T

G

G

V

S

Y

A

L

I

P

T

V

A

D

D

G

G

F

Y

T

T

A

A

active site: G18 (= G24), S141 (= S150), Y154 (= Y163), K158 (= K167)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G20), S17 (≠ G23), G18 (= G24), I19 (= I25), D38 (= D44), I39 (≠ Q45), T61 (≠ G69), I63 (≠ L71), N89 (= N97), G91 (= G99), T139 (≠ V148), S141 (= S150), Y154 (= Y163), K158 (= K167), P184 (= P193), G185 (= G194), I186 (≠ T195), I187 (≠ T196)

9febA Short-chain dehydrogenase/reductase (sdr) from thermus caliditerrae in complex with NADP
38% identity, 96% coverage: 8:269/273 of query aligns to 3:256/261 of 9febA

query
sites
9febA

P

P

N

K

R

S

F

L

K

V

D

G

K

K

V

H

M

A

I

L

I

V

T

T

G
|
G

A

A

A
x
S

G
x
R

G

G

I

I

G

G

K

A

A

A

C

I

A

A

I

E

R

A

A

L

A

A

K

Q

E

A

G

G

A

A

K

R

L

L

V

T

L

L

G

V

D

A

Q
x
R

K
|
K

E

L

E

Q

M

D

S

L

Q

E

E

E

T

R

L

V

E

E

E

R

I

L

Q

R

K

A

I

W

T

T

P

-

D

E

V

V

D

Q

F

G

L

E

V

V

G

G

D
|
D

L

V

C

A

E

D

E

P

K

Q

N

A

C

M

Q

E

A

S

L

L

V

V

Q

H

T

R

A

A

I

Q

E

E

K

R

Y

F

G

G

R

P

I

V

D

A

I

I

L

L

V

V

N

N

A

A

G
|
G

I

F

T
x
V

G

-

I

L

P

T

A

A

P

P

V

F

H

L

E

E

M

I

S

N

E

E

M

L

F

W

R

Q

H

R

V

H

L

I

D

E

S

V

N

N

I

L

M

G

I

A

A

A

F

Y

Y

R

C

L

S

I

K

R

A

L

T

L

L

L

P

P

Y

G

M

M

M

L

E

E

Q

M

H

G

N

W

G

G

S

R

I

I

N

N

V

I

S

S

V

T

A

A

G

G

L

L

T

T

G

G

F

Y

P

P

G

Y

H

A

S

V

A

P

Y

Y

V

C

T

A

S

A

K

K

H

H

G

G

L

L

N

I

G

G

L

L

T

T

R

R

N

A

M

L

A

A

L

L

D

E

Y

L

A

A

S

Q

Y

R

G

G

I

I

R

T

V

V

N

N

A

A

V

I

N

C

P

P

G

G

T

F

T

T

Q

D

T

T

P

D

M

L

Y

L

D

Q

E

A

A

S

L

V

A

L

F

R

L

V

A

A

S

Q

K

R

R

T

E

A

K

R

A

A

A

-

K

-

E

-

G

-

T

-

E

-

P

P

E

E

D

A

N

V

I

L

V

E

Q

L

G

F

K

A

T

R

V

R

S

N

P

P

Q

Q

K

G

R

R

V

L

A

V

A

R

A

P

E

E

V

V

A

A

N

W

G

A

I

V

L

V

F

W

L

L

A

C

S

S

E

E

E

K

A

A

S

A

N

A

I

I

T

N

G

G

V

Q

Y

A

L

I

P

A

V

V

D

A

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G20), S17 (≠ A22), R18 (≠ G23), R40 (≠ Q45), K41 (= K46), D64 (= D70), G93 (= G99), V95 (≠ T101)

9fe6B Short-chain dehydrogenase/reductase (sdr) from thermus caliditerrae
38% identity, 96% coverage: 8:269/273 of query aligns to 3:256/261 of 9fe6B

query
sites
9fe6B

P

P

N

K

R

S

F

L

K

V

D

G

K

K

V

H

M

A

I

L

I

V

T

T

G

G

A

A

A

S

G

R

G

G

I

I

G

G

K

A

A

A

C

I

A

A

I

E

R

A

A

L

A

A

K

Q

E

A

G

G

A

A

K

R

L

L

V

T

L

L

G

V

D

A

Q

R

K

K

E
x
L

E

Q

M

D

S

L

Q

E

E

E

T

R

L

V

E

E

E

R

I

L

Q
x
R

K

A

I

W

T

T

P

-

D

E

V
|
V

D

Q

F
x
G

L

E

V

V

G

G

D

D

L

V

C

A

E

D

E

P

K

Q

N

A

C

M

Q

E

A

S

L

L

V

V

Q

H

T

R

A

A

I

Q

E

E

K
x
R

Y

F

G

G

R

P

I

V

D

A

I

I

L

L

V

V

N

N

A

A

G

G

I

F

T

V

G

-

I

L

P

T

A

A

P

P

V

F

H

L

E

E

M

I

S

N

E

E

M

L

F

W

R

Q

H

R

V

H

L

I

D

E

S

V

N

N

I

L

M

G

I

A

A

A

F

Y

Y

R

C

L

S

I

K

R

A

L

T

L

L

L

P

P

Y

G

M

M

M

L

E

E

Q

M

H

G

N

W

G

G

S

R

I

I

N

N

V

I

S

S

V

T

A

A

G

G

L

L

T

T

G

G

F

Y

P

P

G

Y

H

A

S

V

A

P

Y

Y

V

C

T

A

S

A

K

K

H

H

G

G

L

L

N

I

G

G

L

L

T

T

R

R

N

A

M

L

A

A

L

L

D

E

Y

L

A

A

S

Q

Y

R

G

G

I

I

R

T

V

V

N

N

A

A

V

I

N

C

P

P

G

G

T

F

T

T

Q

D

T

T

P

D

M

L

Y

L

D

Q

E

A

A

S

L

V

A

L

F

R

L

V

A

A

S

Q

K

R

R

T

E

A

K

R

A

A

A

-

K

-

E

-

G

-

T

-

E

-

P

P

E

E

D

A

N

V

I

L

V

E

Q

L

G

F

K

A

T

R

V

R

S

N

P

P

Q

Q

K

G

R

R

V

L

A

V

A

R

A

P

E

E

V

V

A

A

N

W

G

A

I

V

L

V

F

W

L

L

A

C

S

S

E

E

E

K

A

A

S

A

N

A

I

I

T

N

G

G

V

Q

Y

A

L

I

P

A

V

V

D

A

G

G

binding : L42 (≠ E47), R53 (≠ Q58), V58 (= V64), G60 (≠ F66), R81 (≠ K87)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
37% identity, 96% coverage: 11:273/273 of query aligns to 2:253/261 of 1g6kA

query
sites
1g6kA

F

Y

K

K

D

D

-

L

-

E

-

G

K

K

V

V

M

V

I

V

I

I

T

T

G

G

A

S

G
x
T

G
|
G

I
x
L

G

G

K

K

A

S

C

M

A

A

I

I

R

R

A

F

A

A

K

T

E

E

G

K

A

A

K

K

L

V

V

V

L

V

G

N

-

Y

D
x
R

Q

S

K

K

E

E

E

D

M

E

S

A

Q

N

E

S

T

V

L

L

E

E

I

I

Q

K

K

K

I

V

T

G

P

G

D

E

V

A

D

I

F

A

L

V

V

K

G

G

D
|
D

L
x
V

C

T

E

V

E

E

K

S

N

D

C

V

Q

I

A

N

L

L

V

V

Q

Q

T

S

A

A

I

I

E

K

K

E

Y

F

G

G

R

K

I

L

D

D

I

V

L

M

V

I

N

N

N
|
N

A
|
A

G
|
G

I

L

T

A

G

N

I

-

P

P

A

V

P

S

V

S

H

H

E

E

M

M

S

S

E

L

E

S

M

D

F

W

R

N

H

K

V

V

L

I

D

D

S

T

N

N

I

L

M

T

I

G

A

A

F

F

Y

L

C

G

S

S

K

R

A

E

T

A

L

I

P

K

Y

Y

M

F

M

V

E

E

Q

N

H

D

-

I

N

K

G

G

S

T

I

V

I

I

N

N

V
x
M

S

S

S
|
S

V

V

A

H

G

E

L

K

T

I

G

P

F

W

P

P

G

L

H

F

S

V

A

H

Y
|
Y

V

A

T

A

S

S

K
|
K

H

G

G

G

L

M

N

K

G

L

L

M

T

T

R

E

N

T

M

L

A

A

L

L

D

E

Y

Y

A

A

S

P

Y

K

G

G

I

I

R

R

V

V

N

N

A

N

V

I

N

G

P
|
P

G
|
G

T

A

T
x
I

Q

N

T
|
T

P

P

M

I

Y

N

D

A

E

E

A

K

L

F

A

A

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

-

A

-

K

-

E

-

G

-

T

-

E

D

P

P

E

E

D

Q

N

R

I

-

V

A

Q

D

G

V

K

E

T

S

V

M

S

I

P

P

Q

M

K

G

R

Y

V

I

A

G

A

E

A

P

E

E

V

I

A

A

N

A

G

V

I

A

L

A

F

W

L

L

A

A

S

S

E

S

E

E

A

A

S

S

N

Y

I

V

T

T

G

G

V

I

Y

T

L

L

P

F

V

A

D

D

G

G

F

M

T

T

A

Q

F

Y

active site: G18 (= G24), S145 (= S150), Y158 (= Y163), K162 (= K167)
binding nicotinamide-adenine-dinucleotide: T17 (≠ G23), G18 (= G24), L19 (≠ I25), R39 (≠ D44), D65 (= D70), V66 (≠ L71), N92 (= N97), A93 (= A98), G94 (= G99), M143 (≠ V148), S145 (= S150), Y158 (= Y163), P188 (= P193), G189 (= G194), I191 (≠ T196), T193 (= T198)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
37% identity, 96% coverage: 11:273/273 of query aligns to 2:253/261 of P40288

query
sites
P40288

F

Y

K

K

D

D

-

L

-

E

-

G

K

K

V

V

M

V

I
x
V

I
|
I

T
|
T

G
|
G

A
x
S

G
x
T

G
|
G

I
x
L

G
|
G

K
|
K

A
x
S

C
x
M

A
|
A

I
|
I

R
|
R

A
x
F

A
|
A

K
x
T

E
|
E

G
x
K

A
|
A

K
|
K

L
x
V

V
|
V

L

V

G

N

-

Y

D

R

Q

S

K

K

E

E

E

D

M

E

S

A

Q

N

E

S

T

V

L

L

E

E

I

I

Q

K

K

K

I

V

T

G

P

G

D

E

V

A

D

I

F

A

L

V

V

K

G

G

D

D

L

V

C

T

E

V

E

E

K

S

N

D

C

V

Q

I

A

N

L

L

V

V

Q

Q

T

S

A

A

I

I

E

K

K

E

Y

F

G

G

R

K

I

L

D

D

I

V

L

M

V

I

N

N

A

A

G

G

I

L

T
x
E

G

N

I

-

P

P

A

V

P

S

V

S

H

H

E

E

M

M

S

S

E

L

E

S

M
x
D

F

W

R

N

H

K

V
|
V

L

I

D

D

S

T

N

N

I

L

M

T

I

G

A

A

F

F

Y

L

C

G

S

S

K

R

A

E

T

A

L

I

P

K

Y

Y

M

F

M

V

E
|
E

Q

N

H

D

-

I

N

K

G

G

S

T

I

V

I

I

N

N

V

M

S

S

V

V

A

H

G

E

L

K

T

I

G

P

F

W

P

P

G

L

H

F

S

V

A

H

Y

Y

V

A

T

A

S

S

K

K

H

G

G

G

L

M

N

K

G

L

L

M

T

T

R

E

N

T

M

L

A

A

L

L

D

E

Y

Y

A

A

S

P

Y

K

G

G

I

I

R

R

V
|
V

N

N

A

N

V

I

N

G

P

P

G

G

T

A

T

I

Q

N

T

T

P
|
P

M

I

Y

N

D

A

E

E

A

K

L

F

A

A

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

-

A

-

K

-

E

-

G

-

T

-

E

D

P

P

E

E

D

Q

N

R

I

-

V

A

Q

D

G

V

K
x
E

T

S

V

M

S

I

P

P

Q

M

K

G

R
x
Y

V

I

A

G

A

E

A

P

E

E

V

I

A

A

N

A

G

V

I

A

L

A

F

W

L

L

A

A

S

S

E

S

E

E

A

A

S

S

N

Y

I

V

T

T

G

G

V

I

Y

T

L

L

P

F

V

A

D

D

G

G

F

M

T

T

A
x
Q

F
x
Y

11:35 (vs. 17:41, 56% identical) binding NADP(+)
E96 (≠ T101) mutation E->A,G,K: Heat stable.
D108 (≠ M114) mutation to N: Heat stable.
V112 (= V118) mutation to A: Heat stable.
E133 (= E139) mutation to K: Heat stable.
V183 (= V188) mutation to I: Heat stable.
P194 (= P199) mutation to Q: Heat stable.
E210 (≠ K230) mutation to K: Heat stable.
Y217 (≠ R237) mutation to H: Heat stable.
Q252 (≠ A272) mutation to L: Heat stable.
Y253 (≠ F273) mutation to C: Heat stable.

Sites not aligning to the query:

258 A→G: Heat stable.

2cfcA Structural basis for stereo selectivity in the (r)- and (s)- hydroxypropylethane thiosulfonate dehydrogenases (see paper)
37% identity, 95% coverage: 14:273/273 of query aligns to 3:250/250 of 2cfcA

query
sites
2cfcA

K

R

V

V

M

A

I

I

I

V

T

T

G
|
G

A

A

A

S

G
x
S

G
|
G

I
x
N

G

G

K

L

A

A

C

I

A

A

I

T

R

R

A

F

A

L

K

A

E

R

G

G

A

D

K

R

L

V

V

A

L

A

G

L

D
|
D

Q

-

K

-

E

-

M
x
L

S

S

Q

A

E

E

T

T

L

L

E

E

I

T

Q

A

K

R

I

T

-

H

-

W

-

H

-

A

-

Y

T

A

P

D

D

K

V

V

D

L

F

R

L

V

V

R

G
x
A

D
|
D

L
x
V

C

A

E

D

E

E

K

G

N

D

C

V

Q

N

A

A

L

A

V

I

Q

A

T

A

A

T

I

M

E

E

K

Q

Y

F

G

G

R

A

I

I

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

T

T

G

G

I

N

P

S

-

E

-

A

A

G

P

V

V

L

H

H

E

T

M

T

S

P

E

V

E

E

M

Q

F

F

R

D

H

K

V

V

L

M

D

A

S

V

N

N

I

V

M

R

I

G

A

I

F

F

Y

L

C

G

S

C

K

R

A

A

T

V

L

L

P

P

Y

H

M

M

M

L

E

L

Q

Q

H

G

N

A

G

G

S

V

I

I

I

V

N

N

V
x
I

S

A

S
|
S

V

V

A

A

G

S

L

L

T

V

G

A

F
|
F

P

P

G

G

H
x
R

S

S

A

A

Y
|
Y

V

T

T

T

S

S

K
|
K

H

G

G

A

L

V

N

L

G

Q

L

L

T

T

R

K

N

S

M

V

A

A

L

V

D

D

Y

Y

A

A

S

G

Y

S

G

G

I

I

R

R

V

C

N

N

A

A

V

V

N

C

P
|
P

G
|
G

T
x
M

T
x
I

Q

E

T
|
T

P
|
P

M
|
M

Y
x
T

D

Q

E
x
W

A
x
R

L

L

A

-

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

-

A

-

K

-

E

D

G

Q

T

P

E

E

P

L

E

R

D

D

N

Q

I

V

V

L

Q

A

G

R

K

I

T

-

V

-

S

-

P

P

Q

Q

K

K

R

E

V

I

A

G

A

T

A

A

E

A

E

Q

V

V

A

A

N

D

G

A

I

V

L

M

F

F

L

L

A

A

S

G

E

E

E

D

A

A

S

T

N

Y

I

V

T

N

G

G

V

A

Y

A

L

L

P

V

V

M

D

D

G

G

G

A

F

Y

T

T

A

A

F

I

active site: G13 (= G24), S142 (= S150), Y155 (= Y163), K159 (= K167)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (= F157), R152 (≠ H160), Y155 (= Y163), W195 (≠ E203), R196 (≠ A204)
binding nicotinamide-adenine-dinucleotide: G9 (= G20), S12 (≠ G23), G13 (= G24), N14 (≠ I25), D33 (= D44), L34 (≠ M49), A59 (≠ G69), D60 (= D70), V61 (≠ L71), N87 (= N97), A88 (= A98), G89 (= G99), I140 (≠ V148), P185 (= P193), G186 (= G194), M187 (≠ T195), I188 (≠ T196), T190 (= T198), P191 (= P199), M192 (= M200), T193 (≠ Y201)

Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
37% identity, 95% coverage: 14:273/273 of query aligns to 3:250/250 of Q56840

query
sites
Q56840

K

R

V

V

M

A

I

I

I

V

T

T

G

G

A

A

A

S

G
x
S

G
|
G

I
x
N

G

G

K

L

A

A

C

I

A

A

I

T

R

R

A

F

A

L

K

A

E

R

G

G

A

D

K

R

L

V

V

A

L

A

G

L

D
|
D

Q

-

K

-

E

-

M

L

S

S

Q

A

E

E

T

T

L

L

E

E

I

T

Q

A

K

R

I

T

-

H

-

W

-

H

-

A

-

Y

T

A

P

D

D

K

V

V

D

L

F

R

L

V

V

R

G

A

D
|
D

L
x
V

C

A

E

D

E

E

K

G

N

D

C

V

Q

N

A

A

L

A

V

I

Q

A

T

A

A

T

I

M

E

E

K

Q

Y

F

G

G

R

A

I

I

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

G

G

I

N

P

S

-

E

-

A

A

G

P

V

V

L

H

H

E

T

M

T

S

P

E

V

E

E

M

Q

F

F

R

D

H

K

V

V

L

M

D

A

S

V

N

N

I

V

M

R

I

G

A

I

F

F

Y

L

C

G

S

C

K

R

A

A

T

V

L

L

P

P

Y

H

M

M

M

L

E

L

Q

Q

H

G

N

A

G

G

S

V

I

I

I

V

N

N

V

I

S

A

S
|
S

V

V

A

A

G

S

L

L

T

V

G

A

F

F

P

P

G

G

H
x
R

S

S

A

A

Y
|
Y

V

T

T

T

S

S

K
|
K

H

G

G

A

L

V

N

L

G

Q

L

L

T

T

R

K

N

S

M

V

A

A

L

V

D

D

Y

Y

A

A

S

G

Y

S

G

G

I

I

R
|
R

V

C

N

N

A

A

V

V

N

C

P

P

G

G

T

M

T
x
I

Q
x
E

T
|
T

P
|
P

M
|
M

Y

T

D

Q

E
x
W

A
x
R

L

L

A

-

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

-

A

-

K

-

E

D

G

Q

T

P

E

E

P

L

E
x
R

D

D

N

Q

I

V

V

L

Q

A

G
x
R

K

I

T

-

V

-

S

-

P

P

Q

Q

K

K

R

E

V

I

A

G

A

T

A

A

E

A

E

Q

V

V

A

A

N

D

G

A

I

V

L

M

F

F

L

L

A

A

S

G

E

E

E

D

A

A

S

T

N

Y

I

V

T

N

G

G

V

A

Y

A

L

L

P

V

V

M

D

D

G

G

G

A

F

Y

T

T

A

A

F

I

SGN 12:14 (≠ GGI 23:25) binding NAD(+)
D33 (= D44) binding NAD(+)
DV 60:61 (≠ DL 70:71) binding NAD(+)
N87 (= N97) binding NAD(+)
S142 (= S150) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ H160) binding 2-oxopropyl-coenzyme M; mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
Y155 (= Y163) mutation Y->E,F: Loss of activity.
K159 (= K167) mutation to A: Loss of activity.
R179 (= R187) mutation to A: Loss of activity.
IETPM 188:192 (≠ TQTPM 196:200) binding NAD(+)
WR 195:196 (≠ EA 203:204) binding 2-oxopropyl-coenzyme M
R196 (≠ A204) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (≠ E223) mutation to A: Slight decrease in catalytic efficiency.
R209 (≠ G229) mutation to A: Does not affect catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
37% identity, 96% coverage: 11:272/273 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

F

L

K

D

D

N

K

K

V

V

M

A

I

L

I

V

T

T

G
|
G

A

A

A

G

G
x
S

G
|
G

I
|
I

G

G

K

L

A

A

C

V

A

A

I

H

R

S

A

Y

A

A

K

K

E

E

G

G

A

A

K

K

L

V

V

I

L

V

G

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D
|
D

Q
x
I

K

N

E

E

E

D

M

H

S

G

Q

N

E

K

T

A

L

V

E

E

E

D

I

I

Q

K

K

A

I

Q

T

G

P

G

D

E

V

A

D

S

F

F

L

V

V

K

G
x
A

D
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D

L
x
T

C

S

E

N

E

P

K

E

N

E

C

V

Q

E

A

A

L

L

V

V

Q

K

T

R

A

T

I

V

E

E

K

I

Y

Y

G

G

R

R

I

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

G

G

I

I

T

G

G

G

I

E

P

Q

A

A

P

L

V

A

H

G

E

D

M

Y

S

G

E

L

E

D

M

S

F

W

R

R

H

K

V

V

L

L

D

S

S

I

N

N

I

L

M

D

I

G

A

V

F

F

Y

Y

C

G

S

C

K

K

A

Y

T

E

L

L

P

E

Y

Q

M

M

M

E

E

K

Q

N

H

G

N

G

G

G

S

V

I

I

I

V

N

N

V
x
M

S

A

S
|
S

V

I

A

H

G

G

L

I

T

V

G

A

F

A

P

P

G

L

H

S

S

S

A

A

Y
|
Y

V

T

T

S

S

A

K
|
K

H

H

G

A

L

V

N

V

G

G

L

L

T

T

R

K

N

N

M

I

A

G

L

A

D

E

Y

Y

A

G

S

Q

Y

K

G

N

I

I

R

R

V

C

N

N

A

A

V

V

N

G

P
|
P

G
x
A

T
x
Y

T
x
I

Q

E

T

T

P

P

M
x
L

Y

L

D

-

E

E

A

S

L

L

A

T

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

K

A

E

A

M

K

K

E

E

G

A

T

L

E

I

P

S

E

K

D

H

N

-

I

-

V

-

Q

-

G

-

K

-

T

-

V

-

S

-

P

P

Q

M

K

G

R

R

V

L

A

G

A

K

A

P

E

E

V

V

A

A

N

E

G

L

I

V

L

L

F

F

L

L

A

S

S

S

E

E

E

K

A

S

S

S

N

F

I

M

T

T

G

G

V

G

Y

Y

L

Y

P

L

V

V

D

D

G

G

F

Y

T

T

A

A

active site: G16 (= G24), S142 (= S150), Y155 (= Y163), K159 (= K167)
binding nicotinamide-adenine-dinucleotide: G12 (= G20), S15 (≠ G23), G16 (= G24), I17 (= I25), D36 (= D44), I37 (≠ Q45), A61 (≠ G69), D62 (= D70), T63 (≠ L71), N89 (= N97), A90 (= A98), M140 (≠ V148), S142 (= S150), Y155 (= Y163), K159 (= K167), P185 (= P193), A186 (≠ G194), Y187 (≠ T195), I188 (≠ T196), L192 (≠ M200)

3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
35% identity, 96% coverage: 11:273/273 of query aligns to 11:259/267 of 3ay6B

query
sites
3ay6B

F

L

K

K

D

D

K

K

V

V

M

V

I

V

I

I

T

T

G
|
G

A

G

A

S

G
x
T

G
|
G

I
x
L

G

G

K

R

A

A

C

M

A

A

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R

R

A

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A

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Q

E

E

G

E

A

A

K

K

L

V

V

V

L

I

G

N

D

Y

-
x
Y

Q

N

K

N

E

E

M

E

S

A

Q

L

E

D

T

A

L

K

E

K

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E

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K

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A

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I

L

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V

Q

G

G

D
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D

L
x
V

C

T

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K

E

E

K

E

N

D

C

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Q

V

A

N

L

L

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Q

Q

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A

A

I

I

E

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K

E

Y

F

G

G

R

T

I

L

D

D

I

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L

M

V

I

N

N

N
|
N

A
|
A

G
|
G

I
x
V

T
x
E

G

N

I

-

P

P

A

V

P

P

V

S

H

H

E

E

M

L

S

S

E

L

E

D

M

N

F

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R

N

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K

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V

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I

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N

N

I

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I

G

A

A

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F

Y

L

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R

A

E

T

A

L

I

P

K

Y

Y

M

F

M

V

E

E

Q

N

H

D

-

I

N

K

G

G

S

N

I

V

I

I

N

N

V
x
M

S

S

S
|
S

V

V

A
x
H

G

E

L

M

T

I

G

P

F
x
W

P

P

G

L

H

F

S

V

A

H

Y
|
Y

V

A

T

A

S

S

K
|
K

H

G

G

G

L

M

N

K

G

L

L

M

T

T

R

E

N

T

M

L

A

A

L

L

D

E

Y

Y

A

A

S

P

Y

K

G

G

I

I

R

R

V

V

N

N

A

N

V

I

N

G

P
|
P

G
|
G

T

A

T
x
M

Q

N

T
|
T

P
|
P

M
x
I

Y
x
N

D

A

E

E

A
x
K

L

-

A

-

F

-

L

F

A

A

S

D

K

P

R

V

E

Q

K

R

A

A

A

D

K

V

E

E

G

-

T

-

E

-

P

-

E

-

D

-

N

-

I

-

V

-

Q

-

G

-

K

-

T

S

V

M

S

I

P

P

Q

M

K

G

R

Y

V

I

A

G

A

K

A

P

E

E

V

V

A

A

N

A

G

V

I

A

L

A

F

F

L

L

A

A

S

S

E

S

E

Q

A

A

S

S

N

Y

I

V

T

T

G

G

V

I

Y

T

L

L

P

F

V

A

D

D

G

G

F

M

T

T

A

K

F

Y

active site: G24 (= G24), S151 (= S150), Y164 (= Y163), K168 (= K167)
binding beta-D-glucopyranose: E102 (≠ T101), S151 (= S150), H153 (≠ A152), W158 (≠ F157), Y164 (= Y163), N202 (≠ Y201), K205 (≠ A204)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G20), T23 (≠ G23), G24 (= G24), L25 (≠ I25), Y45 (vs. gap), D71 (= D70), V72 (≠ L71), N98 (= N97), A99 (= A98), G100 (= G99), V101 (≠ I100), M149 (≠ V148), S151 (= S150), Y164 (= Y163), K168 (= K167), P194 (= P193), G195 (= G194), M197 (≠ T196), T199 (= T198), P200 (= P199), I201 (≠ M200), N202 (≠ Y201)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
34% identity, 96% coverage: 11:272/273 of query aligns to 3:247/248 of 4urfB

query
sites
4urfB

F

L

K

E

D

G

K

K

V

T

M

A

I

L

I

V

T

T

G
|
G

A

A

A
x
G

G
x
N

G
|
G

I
|
I

G

G

K

R

A

T

C

I

A

A

I

L

R

T

A

Y

A

A

K

A

E

E

G

G

A

A

K

N

L

V

V

V

L

V

G

S

D
|
D

Q
x
I

K

S

E

D

E

E

M

W

S

G

Q

R

E

E

T

T

L

L

E

A

E

L

I

I

Q

E

K

G

I

K

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G

P

G

D

K

V

A

D

V

F

F

L

Q

V

H

G

A

D
|
D

L
x
T

C

A

E

H

E

P

K

E

N

D

C

H

Q

D

A

E

L

L

V

I

Q

A

T

A

A

A

I

K

E

R

K

A

Y

F

G

G

R

R

I

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

S

G
|
G

I

E

P

F

A

T

P

P

V

T

H

A

E

E

M

T

S

T

E

D

E

A

M

Q

F

W

R

Q

H
x
R

V

V

L

I

D

G

S

I

N

N

I

L

M

S

I

G

A

V

F

F

Y

Y

C

G

S

V

K

R

A

A

T

Q

L

I

P

R

Y

A

M

M

M

L

E

E

Q

T

H

G

N

G

G

G

S

A

I

I

I

V

N

N

V
x
I

S

S

S
|
S

V

I

A

A

G

G

L

Q

T

I

G

G

F

I

P

E

G

G

H
x
I

S

T

A

P

Y
|
Y

V

T

T

A

S

A

K
|
K

H

H

G

G

L

V

N

V

G

G

L

L

T

T

R

K

N

T

M

V

A

A

L

W

D

E

Y

Y

A

G

S

S

Y

K

G

G

I

I

R
|
R

V

I

N

N

A

S

V

V

N

G

P
|
P

G
x
A

T

F

T
x
I

Q

N

T
|
T

P

T

M

L

Y

V

D

Q

E

N

A

V

L

-

A

-

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

-

A

-

K

-

E

-

G

-

T

-

E

-

P

P

E

L

D

E

N

T

I

R

V

R

Q

Q

G

L

K

E

T

Q

V

M

S

H

P

A

Q
x
L

K
x
R

R
|
R

V

L

A

G

A

E

A

T

E

E

V

V

A

A

N

N

G

L

I

V

L

A

F

W

L

L

A

S

S
|
S

E

D

E

K

A

A

S

S

N

F

I

V

T

T

G

G

V

S

Y

Y

L

Y

P

A

V

V

D

D

G

G

F

Y

T

L

A

A

active site: G16 (= G24), S142 (= S150), I152 (≠ H160), Y155 (= Y163), K159 (= K167)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ Q235), R211 (≠ K236), R212 (= R237)
binding bicarbonate ion: I92 (= I100), G94 (= G102), R109 (≠ H117), R179 (= R187), S228 (= S253)
binding nicotinamide-adenine-dinucleotide: G12 (= G20), G14 (≠ A22), N15 (≠ G23), G16 (= G24), I17 (= I25), D36 (= D44), I37 (≠ Q45), D62 (= D70), T63 (≠ L71), N89 (= N97), A90 (= A98), G91 (= G99), I140 (≠ V148), Y155 (= Y163), K159 (= K167), P185 (= P193), A186 (≠ G194), I188 (≠ T196), T190 (= T198)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
34% identity, 96% coverage: 11:272/273 of query aligns to 3:247/248 of 4urfA

query
sites
4urfA

F

L

K

E

D

G

K

K

V

T

M

A

I

L

I

V

T

T

G
|
G

A

A

A
x
G

G
x
N

G
|
G

I
|
I

G

G

K

R

A

T

C

I

A

A

I

L

R

T

A

Y

A

A

K

A

E

E

G

G

A

A

K

N

L

V

V

V

L

V

G

S

D
|
D

Q
x
I

K

S

E

D

E

E

M
x
W

S

G

Q

R

E

E

T

T

L

L

E

A

E

L

I

I

Q

E

K

G

I

K

T

G

P

G

D

K

V

A

D

V

F

F

L

Q

V

H

G

A

D
|
D

L
x
T

C

A

E

H

E

P

K

E

N

D

C

H

Q

D

A

E

L

L

V

I

Q

A

T

A

A

A

I

K

E

R

K

A

Y

F

G

G

R

R

I

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T
x
S

G
|
G

I
x
E

P

F

A
x
T

P

P

V

T

H

A

E
|
E

M

T

S
x
T

E

D

E

A

M
x
Q

F

W

R

Q

H
x
R

V

V

L

I

D

G

S

I

N

N

I

L

M

S

I

G

A

V

F

F

Y

Y

C

G

S

V

K

R

A

A

T

Q

L

I

P

R

Y

A

M

M

M

L

E

E

Q

T

H

G

N

G

G

G

S

A

I

I

I

V

N

N

V
x
I

S

S

S
|
S

V

I

A

A

G

G

L

Q

T

I

G

G

F

I

P

E

G

G

H
x
I

S

T

A

P

Y
|
Y

V

T

T

A

S

A

K
|
K

H

H

G

G

L

V

N

V

G

G

L

L

T

T

R

K

N

T

M

V

A

A

L

W

D

E

Y

Y

A

G

S
|
S

Y

K

G
|
G

I

I

R

R

V

I

N

N

A

S

V

V

N

G

P
|
P

G

A

T

F

T
x
I

Q

N

T
|
T

P

T

M

L

Y

V

D

Q

E

N

A

V

L

-

A

-

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

-

A

-

K

-

E

-

G

-

T

-

E

-

P

P

E

L

D

E

N

T

I

R

V

R

Q

Q

G

L

K

E

T

Q

V

M

S

H

P

A

Q

L

K

R

R

R

V

L

A

G

A

E

A

T

E

E

V

V

A

A

N

N

G

L

I

V

L

A

F

W

L

L

A

S

S

S

E

D

E

K

A

A

S

S

N

F

I

V

T

T

G

G

V
x
S

Y
|
Y

L

Y

P

A

V

V

D

D

G

G

F

Y

T

L

A

A

active site: G16 (= G24), S142 (= S150), I152 (≠ H160), Y155 (= Y163), K159 (= K167)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I100), S93 (≠ T101), G94 (= G102), E95 (≠ I103), T97 (≠ A105), E101 (= E109), T103 (≠ S111), Q106 (≠ M114), R109 (≠ H117), S175 (= S183), G177 (= G185)
binding magnesium ion: S237 (≠ V262), Y238 (= Y263)
binding nicotinamide-adenine-dinucleotide: G12 (= G20), G14 (≠ A22), N15 (≠ G23), G16 (= G24), I17 (= I25), D36 (= D44), I37 (≠ Q45), W41 (≠ M49), D62 (= D70), T63 (≠ L71), N89 (= N97), A90 (= A98), G91 (= G99), I140 (≠ V148), Y155 (= Y163), K159 (= K167), P185 (= P193), I188 (≠ T196), T190 (= T198)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
34% identity, 96% coverage: 11:272/273 of query aligns to 3:247/248 of 4ureB

query
sites
4ureB

F

L

K

E

D

G

K

K

V

T

M

A

I

L

I

V

T

T

G

G

A

A

A

G

G
x
N

G
|
G

I
|
I

G

G

K

R

A

T

C

I

A

A

I

L

R

T

A

Y

A

A

K

A

E

E

G

G

A

A

K

N

L

V

V

V

L

V

G

S

D

D

Q

I

K

S

E

D

E

E

M

W

S

G

Q

R

E

E

T

T

L

L

E

A

E

L

I

I

Q

E

K

G

I

K

T

G

P

G

D

K

V

A

D

V

F

F

L

Q

V

H

G

A

D

D

L

T

C

A

E

H

E

P

K

E

N

D

C

H

Q

D

A

E

L

L

V

I

Q

A

T

A

A

A

I

K

E

R

K

A

Y

F

G

G

R

R

I

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A

A

G
|
G

I

I

T

S

G

G

I

E

P

F

A

T

P

P

V

T

H

A

E

E

M

T

S

T

E

D

E

A

M

Q

F

W

R

Q

H

R

V

V

L

I

D

G

S

I

N

N

I

L

M

S

I

G

A

V

F

F

Y

Y

C

G

S

V

K

R

A

A

T

Q

L

I

P

R

Y

A

M

M

M

L

E

E

Q

T

H

G

N

G

G

G

S

A

I

I

I

V

N

N

V

I

S

S

S
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S

V

I

A

A

G

G

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T

I

G

G

F

I

P

E

G

G

H
x
I

S

T

A

P

Y
|
Y

V

T

T

A

S

A

K
|
K

H

H

G

G

L

V

N

V

G

G

L

L

T

T

R

K

N

T

M

V

A

A

L

W

D

E

Y

Y

A

G

S

S

Y

K

G

G

I

I

R

R

V

I

N

N

A

S

V

V

N

G

P
|
P

G
x
A

T

F

T

I

Q

N

T

T

P

T

M

L

Y

V

D

Q

E

N

A

V

L

-

A

-

F

-

L

-

A

-

S

-

K

-

R

-

E

-

K

-

A

-

K

-

E

-

G

-

T

-

E

-

P

P

E

L

D

E

N

T

I

R

V

R

Q

Q

G

L

K

E

T

Q

V

M

S

H

P

A

Q

L

K

R

R

R

V

L

A

G

A

E

A

T

E

E

V

V

A

A

N

N

G

L

I

V

L

A

F

W

L

L

A

S

S

S

E

D

E

K

A

A

S

S

N

F

I

V

T

T

G

G

V

S

Y

Y

L

Y

P

A

V

V

D

D

G

G

F

Y

T

L

A

A

active site: G16 (= G24), S142 (= S150), I152 (≠ H160), Y155 (= Y163), K159 (= K167)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ G23), G16 (= G24), I17 (= I25), N89 (= N97), G91 (= G99), Y155 (= Y163), P185 (= P193), A186 (≠ G194)

8w0oA Gdh-105 crystal structure
37% identity, 96% coverage: 11:273/273 of query aligns to 5:253/259 of 8w0oA

query
sites
8w0oA

F

L

K

K

D

G

K

K

V

V

M

V

I

A

I

I

T

T

G
|
G

A

A

G
x
S

G
|
G

I
x
L

G

G

K

K

A

A

C

M

A

A

I

I

R

R

A

F

A

G

K

K

E

E

G

Q

A

A

K

K

L

V

V

V

L

I

G

N

D

Y

-
x
Y

Q

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K

N

E

K

E
x
Q

M

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Q

N

E

E

T

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E

I

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I

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K

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A

D

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V

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G

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D

L
x
V

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T

E

K

E

E

K

E

N

D

C

V

Q

K

A

N

L

I

V

V

Q

Q

T

T

A

A

I

I

E

K

K

E

Y

F

G

G

R

T

I

L

D

D

I

I

L

M

V

I

N

N

N
|
N

A
|
A

G
|
G

I

L

T

E

G

N

I

-

P

P

A

V

P

P

V

S

H

H

E

E

M

M

S

P

E

L

E

K

M

D

F

W

R

D

H

K

V

V

L

I

D

G

S

T

N

N

I

L

M

T

I

G

A

A

F

F

Y

L

C

G

S

S

K

R

A

E

T

A

L

I

P

K

Y

Y

M

F

M

V

E

E

Q

N

H

D

-

I

N

K

G

G

S

N

I

V

I

I

N

N

V
x
M

S

S

V

V

A

H

G

E

L

V

T

I

G

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F

W

P

P

G

L

H

F

S

V

A

H

Y
|
Y

V

A

T

A

S

S

K
|
K

H

G

G

G

L

M

N

K

G

L

L

M

T

T

R

K

N

T

M

L

A

A

L

L

D

E

Y

Y

A

A

S

P

Y

K

G

G

I

I

R

R

V

V

N

N

A

N

V

I

N

G

P
|
P

G
|
G

T

A

T
x
I

Q

N

T
|
T

P

T

M

I

Y

N

D

A

E

E

A

K

L

-

A

-

F

-

L

F

A

A

S

D

K

P

R

K

E

Q

K

K

A

A

A

D

K

V

E

E

G

-

T

-

E

-

P

-

E

-

D

-

N

-

I

-

V

-

Q

-

G

-

K

-

T

S

V

M

S

I

P

P

Q

M

K

G

R

Y

V

I

A

G

A

E

A

P

E

E

V

I

A

A

N

A

G

V

I

A

L

A

F

W

L

L

A

A

S

S

E

K

E

E

A

A

S

S

N

Y

I

V

T

T

G

G

V

I

Y

T

L

L

P

F

V

A

D

D

G

G

F

M

T

T

A

L

F

Y

binding nicotinamide-adenine-dinucleotide: G14 (= G20), S17 (≠ G23), G18 (= G24), L19 (≠ I25), Y39 (vs. gap), Q43 (≠ E48), D65 (= D70), V66 (≠ L71), N92 (= N97), A93 (= A98), G94 (= G99), M143 (≠ V148), Y158 (= Y163), K162 (= K167), P188 (= P193), G189 (= G194), I191 (≠ T196), T193 (= T198)

Query Sequence

>WP_040388552.1 NCBI__GCF_000313915.1:WP_040388552.1
MTKMDIIPNRFKDKVMIITGAAGGIGKACAIRAAKEGAKLVLGDQKEEMSQETLEEIQKI
TPDVDFLVGDLCEEKNCQALVQTAIEKYGRIDILVNNAGITGIPAPVHEMSEEMFRHVLD
SNIMIAFYCSKATLPYMMEQHNGSIINVSSVAGLTGFPGHSAYVTSKHGLNGLTRNMALD
YASYGIRVNAVNPGTTQTPMYDEALAFLASKREKAAKEGTEPEDNIVQGKTVSPQKRVAA
AEEVANGILFLASEEASNITGVYLPVDGGFTAF

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