SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_042117993.1 NCBI__GCF_000092045.1:WP_042117993.1 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)

Q6WVP7 NADP-dependent (R)-specific alcohol dehydrogenase; (R)-specific ADH; Ketoreductase; KRED; EC 1.1.1.- from Lentilactobacillus kefiri (Lactobacillus kefiri) (see paper)
39% identity, 100% coverage: 1:254/255 of query aligns to 1:251/252 of Q6WVP7

query
sites
Q6WVP7

M

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TLGI 16:19 (≠ ATGM 16:19) binding NADP(+)
RH 39:40 (≠ RN 39:40) binding NADP(+)
DA 63:64 (≠ DV 64:65) binding NADP(+)
N90 (≠ H91) binding NADP(+)
Y156 (= Y156) binding NADP(+)
K160 (= K160) binding NADP(+)
IKTPL 191:195 (≠ IRTPH 189:193) binding NADP(+)

Sites not aligning to the query:

252 binding Mg(2+)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)- hydroxypropylethane thiosulfonate dehydrogenases (see paper)
37% identity, 97% coverage: 8:255/255 of query aligns to 3:250/250 of 2cfcA

query
sites
2cfcA

K

R

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active site: G13 (= G18), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ T150), R152 (≠ E153), Y155 (= Y156), W195 (≠ L201), R196 (≠ Q202)
binding nicotinamide-adenine-dinucleotide: G9 (= G14), S12 (≠ T17), G13 (= G18), N14 (≠ M19), D33 (= D38), L34 (≠ R39), A59 (= A63), D60 (= D64), V61 (= V65), N87 (≠ H91), A88 (= A92), G89 (= G93), I140 (≠ T141), P185 (= P186), G186 (= G187), M187 (≠ F188), I188 (= I189), T190 (= T191), P191 (= P192), M192 (≠ V198), T193 (≠ A199)

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, 97% coverage: 8:255/255 of query aligns to 3:250/250 of Q56840

query
sites
Q56840

K

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SGN 12:14 (≠ TGM 17:19) binding NAD(+)
D33 (= D38) binding NAD(+)
DV 60:61 (= DV 64:65) binding NAD(+)
N87 (≠ H91) binding NAD(+)
S142 (= S143) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ E153) 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 (= Y156) mutation Y->E,F: Loss of activity.
K159 (= K160) mutation to A: Loss of activity.
R179 (= R180) mutation to A: Loss of activity.
IETP-----M 188:192 (≠ IRTPHGLREV 189:198) binding NAD(+)
WR 195:196 (≠ LQ 201:202) binding 2-oxopropyl-coenzyme M
R196 (≠ Q202) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (≠ S209) mutation to A: Slight decrease in catalytic efficiency.
R209 (vs. gap) mutation to A: Does not affect catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
38% identity, 100% coverage: 1:254/255 of query aligns to 2:252/253 of 7ejhA

query
sites
7ejhA

M

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binding 2-oxidanylisoindole-1,3-dione: S144 (= S143), I145 (= I144), E146 (≠ S145), Y157 (= Y156), V197 (= V198), F207 (≠ V208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), T17 (≠ A16), I20 (≠ M19), R40 (= R39), H41 (≠ N40), D64 (= D64), A65 (≠ V65), N91 (≠ H91), A92 (= A92), V114 (= V114), M142 (≠ T141), S144 (= S143), Y157 (= Y156), K161 (= K160), P189 (= P186), G190 (= G187), P191 (≠ F188), I192 (= I189), T194 (= T191), P195 (= P192), L196 (≠ H193)

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
38% identity, 99% coverage: 2:254/255 of query aligns to 1:250/251 of 7ejiB

query
sites
7ejiB

T

T

D

D

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R

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L

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K

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V

A

V

I

I

I

T

D

G

R
|
R

N
x
H

G

A

Q

D

A

V

A

G

A

E

E

K

T

A

V

A

K

K

A

S

I

I

R

-

D

-

A

G

G

G

G

T

E

D

A

V

D

I

H

R

W

F

T

V

A

Q

-

H

D
|
D

V
x
A

S

S

D

D

E

E

G

A

A

G

V

W

N

T

A

K

A

L

V

F

A

D

G

T

V

T

E

E

R

A

Y

F

G

G

A

P

V

V

T

T

V

T

L

V

F

V

N

N

H
x
N

A
|
A

G

G

T

I

I

A

V

V

I

S

K

K

P

S

F

V

L

E

E

D

T

T

L

T

Q

E

E

E

W

W

D

R

W

K

L

L

H

L

A

S

V
|
V

N

N

V

L

R

D

S

G

M

V

F

F

L

F

M

G

T

T

K

R

A

L

V

G

L

I

P

Q

K

R

M

M

I

K

A

N

A

K

G

G

-

L

G

G

G

A

S

S

I

I

V

I

C

N

T
x
M

S

S

S
|
S

I
|
I

S

E

A

G

V

L

A

V

A

G

T

D

P

P

M

T

E

Q

V

G

L

A

Y
|
Y

D

N

T

A

T

S

K
|
K

G

G

A

A

V

V

H

R

M

I

F

M

A

S

R

K

A

S

I

A

A

A

V

L

E

D

-

C

-

A

F

L

R

K

D

D

R

Y

N

D

I

V

R

R

C

V

N

N

A

T

V

V

C

H

P
|
P

G

G

F
x
P

I
|
I

R

K

T
|
T

P
|
P

H
x
L

G

-

L

-

R

-

E

-

V

V

A

D

D

D

L

A

Q

E

A

G

L

A

G

E

V

E

D

F

V
x
F

S

S

D

Q

A

R

A

T

I

K

T

T

A

P

Q

-

Q

M

G

G

R

H

I

I

G

G

E

E

P

P

E

N

D

D

V

I

A

A

R

W

A

I

A

C

L

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

S

K

F

F

V

A

N

T

G

G

A

A

H

E

L

F

F

V

V

V

D

D

N

G

G

G

F

Y

T

T

A

A

binding methyl 2-methylprop-2-enoate: S142 (= S143), I143 (= I144), Y155 (= Y156), F205 (≠ V208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), T15 (≠ A16), L16 (≠ T17), G17 (= G18), I18 (≠ M19), R38 (= R39), H39 (≠ N40), D62 (= D64), A63 (≠ V65), N89 (≠ H91), A90 (= A92), V112 (= V114), M140 (≠ T141), S142 (= S143), Y155 (= Y156), K159 (= K160), P187 (= P186), P189 (≠ F188), I190 (= I189), T192 (= T191), P193 (= P192), L194 (≠ H193)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
35% identity, 100% coverage: 1:254/255 of query aligns to 1:254/255 of 5itvA

query
sites
5itvA

M

M

T

I

D

M

R

N

L

L

K

T

G

D

K

K

V

T

A

V

I

L

I

I

S

T

G
|
G

G

G

A

A

T
x
S

G
|
G

M
x
I

G

G

G

Y

A

A

S

V

K

Q

L

A

F

F

A

L

A

G

E

Q

G

Q

A

A

R

N

V

V

A

V

I

V

I

A

D
|
D

R
x
I

N

D

G

-

Q

E

A

A

A

Q

A

G

E

E

T

A

V

M

K

-

A

-

I

V

R

R

D

K

A

E

G

N

E

D

A

R

D

L

H

H

W

F

T

V

-

Q

A
x
T

D

D

V
x
I

S

T

D

D

E

E

G

A

A

A

V

C

N

Q

A

H

A

A

V

V

A

E

G

S

V

A

E

V

E

H

R

T

Y

F

G

G

A

G

V

L

T

D

V

V

L

L

F

I

N

N

H
x
N

A

A

G
|
G

T

I

I

E

V

I

I

V

K

A

P

P

F

I

L

H

E

E

T

M

T

E

L

L

Q

S

E

D

W

W

D

N

W

K

L

V

H

L

A

Q

V

V

N

N

V

L

R

T

S

G

M

M

F

F

L

L

M

M

T

S

K

K

A

H

V

A

L

L

P

K

K

H

M

M

I

L

A

A

G

G

G

K

G

G

S

N

I

I

V

I

C

N

T
|
T

S

C

S
|
S

I

V

S

G

A

G

V

L

A

V

A

A

T

W

P

P

M

D

E

I

V

P

L

A

Y
|
Y

D

N

T

A

T

S

K
|
K

G

G

A

G

V

V

H

L

M

Q

F

L

A

T

R

K

A

S

I

M

A

A

V

V

E

D

F

Y

R

A

D

K

R

H

N

Q

I

I

R

R

C

V

N

N

A

C

V

V

C

C

P
|
P

G
|
G

F
x
I

I
|
I

R

D

T

T

P

P

H

-

G

-

L

L

R

N

E

E

V

K

A

S

D

F

L

L

Q

E

-

N

-

E

-

G

A

T

L

L

G

E

V

E

D

I

V

K

S

K

D

E

A

K

A

A

I

K

T

V

A

N

Q

P

Q

L

G

L

R

R

I

L

G

G

E

K

P

P

E

E

D

E

V

I

A

A

R

N

A

V

A

M

L

L

Y

F

L

L

A

A

S

S

D

D

E

L

S

S

F

Y

V

M

N

T

G

G

A

S

H

A

L

I

F

T

V

A

D

D

N

G

G

G

F

Y

T

T

A

A

active site: G18 (= G18), S141 (= S143), Y154 (= Y156), K158 (= K160)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), S17 (≠ T17), G18 (= G18), I19 (≠ M19), D38 (= D38), I39 (≠ R39), T61 (≠ A63), I63 (≠ V65), N89 (≠ H91), G91 (= G93), T139 (= T141), S141 (= S143), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (= G187), I186 (≠ F188), I187 (= I189)

1zk1A Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
37% identity, 99% coverage: 2:254/255 of query aligns to 1:250/251 of 1zk1A

query
sites
1zk1A

T

S

D

N

R

R

L

L

K

D

G

G

K

K

V

V

A

A

I

I

S

T

G
|
G

G

G

A

T

T
x
L

G
|
G

M
x
I

G

G

G

L

A

A

A

I

S

A

K

T

L

K

F

F

A

V

A

E

E

E

G

G

A

A

R

K

V

V

A

M

I

I

I

T

D
|
D

R

R

N

H

G

S

Q

D

A

V

A

G

A

E

E

K

T

A

V

A

K

K

A

S

I

V

R

-

D

-

A

-

G

-

G

G

E

T

A

P

D

D

H

Q

-

I

-

Q

-

F

W

F

T

Q

A
x
H

D
|
D

V
x
S

S

S

D

D

E

E

G

D

A

G

V

W

N

T

A

K

A

L

V

F

A

D

G

A

V

T

E

E

E

K

R

A

Y

F

G

G

A

P

V

V

T

S

V

T

L

L

F

V

N

N

H
x
N

A
|
A

G

G

T
x
I

I
x
A

V

V

I
x
N

K

K

P

S

F

V

L

E

E

E

T

T

L

T

Q

A

E

E

W

W

D

R

W

K

L

L

H

L

A

A

V

V

N

N

V

L

R

D

S

G

M

V

F

F

L

F

M

G

T

T

K

R

A

L

V

G

L

I

P

Q

K

R

M

M

I

K

A

N

A

K

G

G

-

L

G

G

G

A

S

S

I

I

V

I

C

N

T
x
M

S

S

S
|
S

I

I

S

E

A

G

V

F

A

V

A

G

T

D

P

P

M

S

E

L

V

G

L

A

Y
|
Y

D

N

T

A

T

S

K
|
K

G

G

A

A

V

V

H

R

M

I

F

M

A

S

R

K

A

S

I

A

A

A

V

L

E

D

-

C

-

A

F

L

R

K

D

D

R

Y

N

D

I

V

R

R

C

V

N

N

A

T

V

V

C

H

P

P

G
|
G

F
x
Y

I
|
I

R

K

T

T

P

P

H
x
L

G

-

L

-

R

-

E

-

V

V

A

D

D

D

L

L

Q

P

A

G

L

A

G

E

V

E

D

A

V

M

S

S

D

Q

A

R

A

T

I

K

T

T

A

P

Q

-

Q

M

G

G

R

H

I

I

G

G

E

E

P

P

E

N

D

D

V

I

A

A

R

Y

A

I

A

C

L

V

Y

Y

L

L

A

A

S

S

D

N

E

E

S

S

S

K

F

F

V

A

N

T

G

G

A

S

H

E

L

F

F

V

V

V

D

D

N

G

G

G

F

Y

T

T

A

A

active site: G17 (= G18), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1-phenylethanone: A93 (≠ I95), N95 (≠ I97), Y155 (= Y156), Y189 (≠ F188)
binding nicotinamide-adenine-dinucleotide: G13 (= G14), L16 (≠ T17), I18 (≠ M19), D37 (= D38), H61 (≠ A63), D62 (= D64), S63 (≠ V65), N89 (≠ H91), A90 (= A92), I92 (≠ T94), M140 (≠ T141), Y155 (= Y156), G188 (= G187), I190 (= I189), L194 (≠ H193)

1zjzA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
37% identity, 99% coverage: 2:254/255 of query aligns to 1:250/251 of 1zjzA

query
sites
1zjzA

T

S

D

N

R

R

L

L

K

D

G

G

K

K

V

V

A

A

I

I

S

T

G
|
G

G

G

A

T

T
x
L

G
|
G

M
x
I

G

G

G

L

A

A

A

I

S

A

K

T

L

K

F

F

A

V

A

E

E

E

G

G

A

A

R

K

V

V

A

M

I

I

I

T

D
|
D

R

R

N

H

G

S

Q

D

A

V

A

G

A

E

E

K

T

A

V

A

K

K

A

S

I

V

R

-

D

-

A

-

G

-

G

G

E

T

A

P

D

D

H

Q

-

I

-

Q

-

F

W

F

T

Q

A

H

D
|
D

V

S

S

S

D

D

E

E

G

D

A

G

V

W

N

T

A

K

A

L

V

F

A

D

G

A

V

T

E

E

E

K

R

A

Y

F

G

G

A

P

V

V

T

S

V

T

L

L

F

V

N

N

H
x
N

A
|
A

G
|
G

T
x
I

I
x
A

V

V

I
x
N

K

K

P

S

F

V

L

E

E

E

T

T

L

T

Q

A

E

E

W

W

D

R

W

K

L

L

H

L

A

A

V

V

N

N

V

L

R

D

S

G

M

V

F

F

L

F

M

G

T

T

K

R

A

L

V

G

L

I

P

Q

K

R

M

M

I

K

A

N

A

K

G

G

-

L

G

G

G

A

S

S

I

I

V

I

C

N

T

M

S

S

S
|
S

I

I

S

E

A

G

V

F

A

V

A

G

T

D

P

P

M

S

E
x
L

V

G

L

A

Y
|
Y

D

N

T

A

T

S

K
|
K

G

G

A

A

V

V

H

R

M

I

F

M

A

S

R

K

A

S

I

A

A

A

V

L

E

D

-

C

-

A

F

L

R

K

D

D

R

Y

N

D

I

V

R

R

C

V

N

N

A

T

V

V

C

H

P

P

G
|
G

F

Y

I
|
I

R

K

T

T

P

P

H
x
L

G

-

L

-

R

-

E

-

V

V

A

D

D

D

L

L

Q

P

A

G

L

A

G

E

V

E

D

A

V

M

S

S

D

Q

A

R

A

T

I

K

T

T

A

P

Q

-

Q

M

G

G

R

H

I

I

G

G

E

E

P

P

E

N

D

D

V

I

A

A

R

Y

A

I

A

C

L

V

Y

Y

L

L

A

A

S

S

D

N

E

E

S

S

S

K

F

F

V

A

N

T

G

G

A

S

H

E

L

F

F

V

V

V

D

D

N

G

G

G

F

Y

T

T

A

A

active site: G17 (= G18), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding nicotinamide-adenine-dinucleotide: G13 (= G14), L16 (≠ T17), I18 (≠ M19), D37 (= D38), D62 (= D64), N89 (≠ H91), A90 (= A92), G91 (= G93), I92 (≠ T94), Y155 (= Y156), G188 (= G187), I190 (= I189), L194 (≠ H193)
binding (1r)-1-phenylethanol: A93 (≠ I95), N95 (≠ I97), L152 (≠ E153), Y155 (= Y156)

1zjyA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and nadh (see paper)
37% identity, 99% coverage: 2:254/255 of query aligns to 1:250/251 of 1zjyA

query
sites
1zjyA

T

S

D

N

R

R

L

L

K

D

G

G

K

K

V

V

A

A

I

I

S

T

G
|
G

G

G

A

T

T
x
L

G
|
G

M
x
I

G

G

G

L

A

A

A

I

S

A

K

T

L

K

F

F

A

V

A

E

E

E

G

G

A

A

R

K

V

V

A

M

I

I

I

T

D
|
D

R

R

N

H

G

S

Q

D

A

V

A

G

A

E

E

K

T

A

V

A

K

K

A

S

I

V

R

-

D

-

A

-

G

-

G

G

E

T

A

P

D

D

H

Q

-

I

-

Q

-

F

W

F

T

Q

A

H

D
|
D

V

S

S

S

D

D

E

E

G

D

A

G

V

W

N

T

A

K

A

L

V

F

A

D

G

A

V

T

E

E

E

K

R

A

Y

F

G

G

A

P

V

V

T

S

V

T

L

L

F

V

N

N

H
x
N

A
|
A

G
|
G

T
x
I

I
x
A

V

V

I
x
N

K

K

P

S

F

V

L

E

E

E

T

T

L

T

Q

A

E

E

W

W

D

R

W

K

L

L

H

L

A

A

V

V

N

N

V

L

R

D

S

G

M

V

F

F

L

F

M

G

T

T

K

R

A

L

V

G

L

I

P

Q

K

R

M

M

I

K

A

N

A

K

G

G

-

L

G

G

G

A

S

S

I

I

V

I

C

N

T

M

S

S

S
|
S

I

I

S

E

A

G

V

F

A

V

A

G

T

D

P

P

M

S

E
x
L

V

G

L

A

Y
|
Y

D

N

T

A

T

S

K
|
K

G

G

A

A

V

V

H

R

M

I

F

M

A

S

R

K

A

S

I

A

A

A

V

L

E

D

-

C

-

A

F

L

R

K

D

D

R

Y

N

D

I

V

R

R

C

V

N

N

A

T

V

V

C

H

P

P

G
|
G

F
x
Y

I
|
I

R

K

T

T

P

P

H
x
L

G

-

L

-

R

-

E

-

V

V

A

D

D

D

L

L

Q

P

A

G

L

A

G

E

V

E

D

A

V

M

S

S

D

Q

A

R

A

T

I

K

T

T

A

P

Q

-

Q

M

G

G

R

H

I

I

G

G

E

E

P

P

E

N

D

D

V

I

A

A

R

Y

A

I

A

C

L

V

Y

Y

L

L

A

A

S

S

D

N

E

E

S

S

S

K

F

F

V

A

N

T

G

G

A

S

H

E

L

F

F

V

V

V

D

D

N

G

G

G

F

Y

T

T

A

A

active site: G17 (= G18), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1,4-dihydronicotinamide adenine dinucleotide: G13 (= G14), L16 (≠ T17), G17 (= G18), I18 (≠ M19), D37 (= D38), D62 (= D64), N89 (≠ H91), A90 (= A92), G91 (= G93), I92 (≠ T94), Y155 (= Y156), G188 (= G187), I190 (= I189), L194 (≠ H193)
binding (1r)-1-phenylethanol: A93 (≠ I95), N95 (≠ I97), L152 (≠ E153), Y155 (= Y156), Y189 (≠ F188)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 98% coverage: 5:255/255 of query aligns to 3:248/248 of 6ixmC

query
sites
6ixmC

L

L

K

D

G

N

K

K

V

V

A

A

I

L

I

V

S

T

G
|
G

G

A

A

G

T
x
S

G
|
G

M
x
I

G

G

G

L

A

A

A

V

S

A

K

H

L

S

F

Y

A

A

A

K

E

E

G

G

A

A

R

K

V

V

A

I

I

V

I

S

D
|
D

R
x
I

N

N

G

E

Q

D

A

H

A

G

A

N

E

K

T

A

V

V

K

E

A

D

I

I

R

K

D

A

A

Q

G

G

E

E

A

A

D

S

H

F

W

V

T

K

A
|
A

D
|
D

V
x
T

S

S

D

N

E

P

G

E

A

E

V

V

N

E

A

A

A

L

V

V

A

K

G

R

V

T

E

V

E

E

R

I

Y

Y

G

G

A

R

V

L

T

D

V

I

L

A

F

C

N

N

H
x
N

A
|
A

G

G

T

I

I

G

V

G

I

E

K

Q

P

A

F

L

L

A

-

G

E

D

T

Y

T

G

L

L

Q

D

E

S

W

W

D

R

W

K

L

V

H

L

A

S

V

I

N

N

V

L

R

D

S

G

M

V

F

F

L

Y

M

G

T

C

K

K

A

Y

V

E

L

L

P

E

K

Q

M

M

I

E

A

K

A

N

G

G

S

V

I

I

V

V

C

N

T
x
M

S

A

S
|
S

I

I

S

H

A

G

V

I

A

V

A

A

T

A

P

P

M

L

E

S

V

S

L

A

Y
|
Y

D

T

T

S

T

A

K
|
K

G

H

A

A

V

V

H

V

M

G

F

L

A

T

R

K

A

N

I

I

A

G

V

A

E

E

F

Y

R

G

D

Q

R

K

N

N

I

I

R

R

C

C

N

N

A

A

V

V

C

G

P
|
P

G
x
A

F
x
Y

I
|
I

R

E

T

T

P

P

H
x
L

G

-

L

-

R

-

E

-

V

-

A

-

D

-

L

L

Q

E

A

S

L

L

G

T

V

K

D

E

V

M

S

K

D

E

A

A

A

L

I

I

T

S

A

K

Q

H

-

P

Q

M

G

G

R

R

I

L

G

G

E

K

P

P

E

E

D

E

V

V

A

A

R

E

A

L

A

V

L

L

Y

F

L

L

A

S

S

S

D

E

E

K

S

S

F

F

V

M

N

T

G

G

A

G

H

Y

L

Y

F

L

V

V

D

D

N

G

G

G

F

Y

T

T

A

A

I

V

active site: G16 (= G18), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding nicotinamide-adenine-dinucleotide: G12 (= G14), S15 (≠ T17), G16 (= G18), I17 (≠ M19), D36 (= D38), I37 (≠ R39), A61 (= A63), D62 (= D64), T63 (≠ V65), N89 (≠ H91), A90 (= A92), M140 (≠ T141), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), A186 (≠ G187), Y187 (≠ F188), I188 (= I189), L192 (≠ H193)

8y46A SDR family oxidoreductase (see paper)
39% identity, 99% coverage: 2:253/255 of query aligns to 2:250/251 of 8y46A

query
sites
8y46A

T

T

D

G

R

R

L

L

K

A

G

G

K

K

V

T

A

V

I

L

I

I

S

T

G

A

A

A

T

Q

G

G

M

I

G

G

G

R

A

A

A

S

S

T

K

E

L

L

F

F

A

A

A

R

E

E

G

G

A

A

R

R

V

V

A

I

I

A

I

T

D

D

R

I

N

S

G

K

Q

T

A

H

A

L

A

E

E

E

T

-

V

-

K

-

A

-

I

L

R

A

D

S

A

I

G

A

G

G

E

V

A

E

D

T

H

H

W

L

T

L

A

-

D

D

V

V

S

T

D

D

E

D

G

D

A

A

V

I

N

K

A

A

A

L

V

V

A

A

G

K

V

V

E

-

R

-

Y

-

G

G

A

T

V

V

T

D

V

V

L

L

F

F

N

N

H

C

A

A

G

G

T

Y

I

V

V

A

I

A

K

G

P

N

F

I

L

L

E

E

T

C

T

D

L

D

Q

K

E

A

W

W

D

D

W

F

L

S

H

F

A

N

V

L

N

N

V

A

R

K

S

A

M

M

F

F

L

H

M

T

T

I

K

R

A

A

V

V

L

L

P

P

K

G

M

M

I

L

A

A

A

K

G

K

G

A

G

G

S

S

I

I

V

V

-

N

C

I

T

A

S

S

S

A

I

A

S

S

A

S

V

V

A

K

A

G

T

V

P

A

M

N

E
x
R

V

F

L

A

Y
|
Y

D

G

T

A

T

S

K

K

G

A

A

A

V

V

H

V

M

G

F

L

A

T

R

K

A

S

I

V

A

A

V

A

E

D

F

F

R

V

D

S

R

Q

N

G

I

I

R

R

C

C

N

N

A

A

V

I

C

C

P

P

G

G

F

T

I

I

R

E

T

S

P

P

H

S

G

-

L

L

R

N

E

Q

V
x
R

A

I

D

S

L

T

Q

Q

A

A

L

K

G

E

V

T

D

G

V

K

S

S

D

E

-

D

-

E

-

V

-

R

A

A

I

F

T

V

A

A

Q
x
R

Q

Q

-

P

-

M

G

G

R

R

I

I

G

G

E

K

P

A

E

E

D

E

V

V

A

A

R

A

A

L

A

A

L

L

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

S

N

F

F

V

T

N

T

G

G

A

S

H

I

L

H

F

M

V

I

D

D

N

G

G

G

F
x
W

T

S

binding L-2-keto-3-deoxyfuconate: R145 (≠ E153), Y148 (= Y156), R189 (≠ V198), R211 (≠ Q216), W249 (≠ F252)

8y46B SDR family oxidoreductase (see paper)
39% identity, 98% coverage: 4:253/255 of query aligns to 1:247/248 of 8y46B

query
sites
8y46B

R

R

L

L

K

A

G

G

K

K

V

T

A

V

I

L

I

I

S

T

G

A

A

A

T

Q

G

G

M

I

G

G

G

R

A

A

A

S

S

T

K

E

L

L

F

F

A

A

A

R

E

E

G

G

A

A

R

R

V

V

A

I

I

A

I

T

D

D

R

I

N

S

G

K

Q

T

A

H

A

L

A

E

E

E

T

-

V

-

K

-

A

-

I

L

R

A

D

S

A

I

G

A

G

G

E

V

A

E

D

T

H

H

W

L

T

L

A

-

D

D

V

V

S

T

D

D

E

D

G

D

A

A

V

I

N

K

A

A

A

L

V

V

A

A

G

K

V

V

E

-

R

-

Y

-

G

G

A

T

V

V

T

D

V

V

L

L

F

F

N

N

H

C

A

A

G

G

T

Y

I

V

V

A

I

A

K

G

P

N

F

I

L

L

E

E

T

C

T

D

L

D

Q

K

E

A

W

W

D

D

W

F

L

S

H

F

A

N

V

L

N

N

V

A

R

K

S

A

M

M

F

F

L

H

M

T

T

I

K

R

A

A

V

V

L

L

P

P

K

G

M

M

I

L

A

A

A

K

G

K

G

A

G

G

S

S

I

I

V

V

-

N

C

I

T

A

S
|
S

S

A

I

A

S

S

A

S

V

V

A

K

A

G

T

V

P

A

M

N

E
x
R

V

F

L

A

Y
|
Y

D

G

T

A

T

S

K

K

G

A

A

A

V

V

H

V

M

G

F

L

A

T

R

K

A

S

I

V

A

A

V

A

E

D

F

F

R

V

D

S

R

Q

N

G

I

I

R

R

C

C

N

N

A

A

V

I

C

C

P

P

G
|
G

F

T

I

I

R

E

T

S

P

P

H

-

G

S

L

L

R

N

E

Q

V
x
R

A

I

D

S

L

T

Q

Q

A

A

L

K

G

E

V

T

D

G

V

K

S

S

D

E

-

D

-

E

-

V

-

R

A

A

I

F

T

V

A

A

Q
x
R

Q

Q

-

P

-

M

G

G

R

R

I

I

G

G

E

K

P

A

E

E

D

E

V

V

A

A

R

A

A

L

A

A

L

L

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

S

N

F

F

V

T

N

T

G

G

A

S

H

I

L

H

F

M

V

I

D

D

N

G

G

G

F

W

T

S

binding L-2,4-diketo-3-deoxyfuconate: S131 (= S142), R142 (≠ E153), Y145 (= Y156), G176 (= G187), R186 (≠ V198), R208 (≠ Q216)

8y4jA SDR family oxidoreductase (see paper)
39% identity, 98% coverage: 4:253/255 of query aligns to 2:248/249 of 8y4jA

query
sites
8y4jA

R

R

L

L

K

A

G

G

K

K

V

T

A

V

I

L

I

I

S

T

G

A

A

A

T

Q

G

G

M

I

G

G

G

R

A

A

A

S

S

T

K

E

L

L

F

F

A

A

A

R

E

E

G

G

A

A

R

R

V

V

A

I

I

A

I

T

D

D

R

-

N

-

G

-

Q

-

A

I

A

S

A

K

E

T

T

H

V

L

K

E

A

E

I

L

R

A

D

S

A

I

G

A

G

G

E

V

A

E

D

T

H

H

W

L

T

L

A

-

D

D

V

V

S

T

D

D

E

D

G

D

A

A

V

I

N

K

A

A

A

L

V

V

A

A

G

K

V

V

E

-

R

-

Y

-

G

G

A

T

V

V

T

D

V

V

L

L

F

F

N

N

H

C

A

A

G

G

T

Y

I

V

V

A

I

A

K

G

P

N

F

I

L

L

E

E

T

C

T

D

L

D

Q

K

E

A

W

W

D

D

W

F

L

S

H

F

A

N

V

L

N

N

V

A

R

K

S

A

M

M

F

F

L

H

M

T

T

I

K

R

A

A

V

V

L

L

P

P

K

G

M

M

I

L

A

A

A

K

G

K

G

A

G

G

S

S

I

I

V

V

-

N

C

I

T

A

S

S

S

A

I

A

S

S

A

S

V

V

A

K

A

G

T

V

P

A

M

N

E
x
R

V

F

L

A

Y
|
Y

D

G

T

A

T

S

K

K

G

A

A

A

V

V

H

V

M

G

F

L

A

T

R

K

A

S

I

V

A

A

V

A

E

D

F

F

R

V

D

S

R

Q

N

G

I

I

R

R

C

C

N

N

A

A

V

I

C

C

P

P

G
|
G

F

T

I

I

R

E

T

S

P

P

H

S

G

-

L

L

R

N

E

Q

V
x
R

A

I

D

S

L

T

Q

Q

A

A

L

K

G

E

V

T

D

G

V

K

S

S

D

E

-

D

-

E

-

V

-

R

A

A

I

F

T

V

A

A

Q
x
R

Q

Q

-

P

-

M

G

G

R

R

I

I

G

G

E

K

P

A

E

E

D

E

V

V

A

A

R

A

A

L

A

A

L

L

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

S

N

F

F

V

T

N

T

G

G

A

S

H

I

L

H

F

M

V

I

D

D

N

G

G

G

F

W

T

S

binding D-2-keto-3-deoxypentonate: R143 (≠ E153), Y146 (= Y156), G177 (= G187), R187 (≠ V198), R209 (≠ Q216)

8y11A Crystal structure of l-2-keto-3-deoxyfuconate 4-dehydrogenase bound to NAD(h) and sulfate ion (see paper)
39% identity, 98% coverage: 4:253/255 of query aligns to 2:248/249 of 8y11A

query
sites
8y11A

R

R

L

L

K

A

G

G

K

K

V

T

A

V

I

L

I

I

S

T

G
x
A

G

A

A

A

T
x
Q

G
|
G

M
x
I

G

G

G

R

A

A

A

S

S

T

K

E

L

L

F

F

A

A

A

R

E

E

G

G

A

A

R

R

V

V

A

I

I

A

I

T

D
|
D

R

-

N

-

G

-

Q

-

A
x
I

A

S

A

K

E

T

T

H

V

L

K

E

A

E

I

L

R

A

D

S

A

I

G

A

G

G

E

V

A

E

D

T

H

H

W

L

T

L

A

-

D
|
D

V
|
V

S

T

D

D

E

D

G

D

A

A

V

I

N

K

A

A

A

L

V

V

A

A

G

K

V

V

E

-

R

-

Y

-

G

G

A

T

V

V

T

D

V

V

L

L

F

F

N

N

H
x
C

A

A

G

G

T

Y

I

V

V

A

I

A

K

G

P

N

F

I

L

L

E

E

T

C

T

D

L

D

Q

K

E

A

W

W

D

D

W

F

L

S

H

F

A

N

V

L

N

N

V

A

R

K

S

A

M

M

F

F

L

H

M

T

T

I

K

R

A

A

V

V

L

L

P

P

K

G

M

M

I

L

A

A

A

K

G

K

G

A

G

G

S

S

I

I

V

V

-

N

C
x
I

T

A

S

S

S

A

I

A

S

S

A

S

V

V

A

K

A

G

T

V

P

A

M

N

E

R

V

F

L

A

Y
|
Y

D

G

T

A

T

S

K
|
K

G

A

A

A

V

V

H

V

M

G

F

L

A

T

R

K

A

S

I

V

A

A

V

A

E

D

F

F

R

V

D

S

R

Q

N

G

I

I

R

R

C

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

F
x
T

I
|
I

R

E

T
x
S

P
|
P

H
x
S

G

-

L

L

R

N

E

Q

V
x
R

A

I

D

S

L

T

Q

Q

A

A

L

K

G

E

V

T

D

G

V

K

S

S

D

E

-

D

-

E

-

V

-

R

A

A

I

F

T

V

A

A

Q

R

Q

Q

-

P

-

M

G

G

R

R

I

I

G

G

E

K

P

A

E

E

D

E

V

V

A

A

R

A

A

L

A

A

L

L

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

S

N

F

F

V

T

N

T

G

G

A

S

H

I

L

H

F

M

V

I

D

D

N

G

G

G

F

W

T

S

binding nicotinamide-adenine-dinucleotide: A12 (≠ G14), Q15 (≠ T17), G16 (= G18), I17 (≠ M19), D36 (= D38), I37 (≠ A43), D57 (= D64), V58 (= V65), C80 (≠ H91), I130 (≠ C140), Y146 (= Y156), K150 (= K160), P176 (= P186), G177 (= G187), T178 (≠ F188), I179 (= I189), S181 (≠ T191), P182 (= P192), S183 (≠ H193), R187 (≠ V198)

1zk4A Structure of r-specific alcohol dehydrogenase (wildtype) from lactobacillus brevis in complex with acetophenone and NADP (see paper)
37% identity, 99% coverage: 2:254/255 of query aligns to 1:250/251 of 1zk4A

query
sites
1zk4A

T

S

D

N

R

R

L

L

K

D

G

G

K

K

V

V

A

A

I

I

S

T

G
|
G

G

G

A
x
T

T
x
L

G
|
G

M
x
I

G

G

G

L

A

A

A

I

S

A

K

T

L

K

F

F

A

V

A

E

E

E

G

G

A

A

R

K

V

V

A

M

I

I

I
x
T

D
x
G

R
|
R

N

H

G

S

Q

D

A

V

A

G

A

E

E

K

T

A

V

A

K

K

A

S

I

V

R

-

D

-

A

-

G

-

G

G

E

T

A

P

D

D

H

Q

-

I

-

Q

-

F

W

F

T

Q

A
x
H

D
|
D

V

S

S

S

D

D

E

E

G

D

A

G

V

W

N

T

A

K

A

L

V

F

A

D

G

A

V

T

E

E

E

K

R

A

Y

F

G

G

A

P

V

V

T

S

V

T

L

L

F

V

N

N

H
x
N

A
|
A

G
|
G

T
x
I

I
x
A

V

V

I

N

K

K

P

S

F

V

L

E

E

E

T

T

L

T

Q

A

E

E

W

W

D

R

W

K

L

L

H

L

A

A

V

V

N

N

V

L

R

D

S

G

M

V

F

F

L

F

M

G

T

T

K

R

A

L

V

G

L

I

P

Q

K

R

M

M

I

K

A

N

A

K

G

G

-

L

G

G

G

A

S

S

I

I

V

I

C

N

T

M

S

S

S
|
S

I

I

S

E

A

G

V

F

A

V

A

G

T

D

P

P

M

S

E

L

V

G

L

A

Y
|
Y

D

N

T

A

T

S

K
|
K

G

G

A

A

V

V

H

R

M

I

F

M

A

S

R

K

A

S

I

A

A

A

V

L

E

D

-

C

-

A

F

L

R

K

D

D

R

Y

N

D

I

V

R

R

C

V

N

N

A

T

V

V

C

H

P

P

G
|
G

F
x
Y

I
|
I

R

K

T
|
T

P

P

H
x
L

G

-

L

-

R

-

E

-

V

V

A

D

D

D

L

L

Q

P

A

G

L

A

G

E

V

E

D

A

V

M

S

S

D

Q

A

R

A

T

I

K

T

T

A

P

Q

M

Q

-

G

G

R

H

I

I

G

G

E

E

P

P

E

N

D

D

V

I

A

A

R

Y

A

I

A

C

L

V

Y

Y

L

L

A

A

S

S

D

N

E

E

S

S

S

K

F

F

V

A

N

T

G

G

A

S

H

E

L

F

F

V

V

V

D

D

N

G

G

G

F

Y

T

T

A

A

active site: G17 (= G18), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1-phenylethanone: A93 (≠ I95), Y155 (= Y156), Y189 (≠ F188)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), T15 (≠ A16), L16 (≠ T17), I18 (≠ M19), T36 (≠ I37), G37 (≠ D38), R38 (= R39), H61 (≠ A63), D62 (= D64), N89 (≠ H91), A90 (= A92), G91 (= G93), I92 (≠ T94), Y155 (= Y156), G188 (= G187), I190 (= I189), T192 (= T191), L194 (≠ H193)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
37% identity, 99% coverage: 4:255/255 of query aligns to 3:249/249 of 6ihhA

query
sites
6ihhA

R

R

L

L

K

L

G

N

K

K

V

T

A

A

I

V

I

I

S

T

G
|
G

G

G

A
x
N

T
x
S

G
|
G

M
x
I

G

G

G

L

A

A

A

T

S

A

K

K

L

R

F

F

A

V

A

A

E

E

G

G

A

A

R

Y

V

V

A

F

I

I

I

V

D

G

R
|
R

N
x
R

G

R

Q

K

A

-

E

E

T

L

V

E

K

Q

A

A

I

A

R

A

D

E

A

I

G

G

G

R

E

N

A

V

D

T

H

A

W

V

T

K

A

A

D
|
D

V
|
V

S

T

D

K

E

L

G

E

A

D

V

L

N

D

A

R

A

L

V

Y

A

A

G

I

V

V

E

R

E

E

R

Q

Y

R

G

G

A

S

V

I

T

D

V

V

L

L

F

F

N

A

H
x
N

A
x
S

G
|
G

T

A

I

V

V

E

I

Q

K

K

P

T

F

L

L

E

E

E

T

I

T

T

L

P

Q

E

E

H

W

Y

D

D

W

R

L

T

H

F

A

D

V
|
V

N

N

V

V

R

R

S

G

M

L

F

I

L

F

M

T

T

V

K

Q

A

K

V

A

L

L

P

P

K

-

M

-

I

L

A

L

A

R

G

D

G

G

S

S

I

V

V

I

C

L

T
|
T

S

S

S
|
S

I

V

S

A

A

G

V

V

A

L

A

G

T

L

P

Q

M

A

E
x
H

V

D

L

T

Y
|
Y

D

S

T

A

K
|
K

G

A

A

A

V

V

H

R

M

S

F

L

A

A

R

R

A

T

I

W

A

T

V

T

E

E

F

L

R

K

D

G

R

R

N

S

I

I

R

R

C

V

N

N

A

A

V

V

C

S

P
|
P

G
|
G

F
x
A

I
|
I

R

D

T
|
T

P

P

H
x
S

G
x
L

L

E

R

N

E

N

V

V

A

S

D

T

L

Q

Q

E

A

E

L

A

G

D

V

E

D

L

V

R

S

A

D

K

A

A

I

A

T

A

A

T

Q

P

Q

L

G

G

R

R

I

V

G

G

E

R

P

P

E

E

D

E

V

L

A

A

R

A

A

A

A

V

L

L

Y

F

L

L

A

A

S

S

D

D

E

D

S

S

F

Y

V

V

N

A

G

G

A

I

H

E

L

L

F

F

V

V

D

D

N

G

G

G

F
x
L

T

T

A

Q

I

V

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (= S143), H147 (≠ E153), Y150 (= Y156), L188 (≠ G194), L246 (≠ F252)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), N15 (≠ A16), S16 (≠ T17), G17 (= G18), I18 (≠ M19), R38 (= R39), R39 (≠ N40), D60 (= D64), V61 (= V65), N87 (≠ H91), S88 (≠ A92), G89 (= G93), V110 (= V114), T135 (= T141), S137 (= S143), Y150 (= Y156), K154 (= K160),