SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing RR42_RS13550 FitnessBrowser__Cup4G11:RR42_RS13550 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)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
37% identity, 96% coverage: 7:261/266 of query aligns to 5:257/261 of 6zzsD

query
sites
6zzsD

L

L

Q

D

G

G

R

K

H

V

A

A

L

F

V

I

T

T

G
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G

G

S

G

A

R
x
S

G
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G

I
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I

G

G

A

L

A

E

I

I

A

A

R

K

R

K

L

F

L

A

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Q

H

E

G

G

A

A

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V

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V

L

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G
x
D

R
x
M

D

N

A

A

A

E

T

K

L

C

A

Q

A

E

T

T

A

A

D

N

T

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L

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E

E

-

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G

-

F

-

D

A

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-

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N
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N

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A

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G

Q

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A
x
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R

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A

A

P

P

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I

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G

G

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R

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Y

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x
K

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Y
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G

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V

N

N

A

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L

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P

G
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G

Y

Y

T
x
V

E

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T
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T

D

P

I
x
L

V

V

R

R

D

G

A
x
Q

V

I

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A

N

D

I

L

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K

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N

R

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A

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A

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M

-

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R

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D

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A

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G

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T

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G

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A

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A

D

G

G

G

G

active site: G18 (= G20), S143 (= S148), Y156 (= Y161)
binding nicotinamide-adenine-dinucleotide: G14 (= G16), S17 (≠ R19), I19 (= I21), D38 (≠ G40), M39 (≠ R41), D64 (= D69), V65 (≠ I70), N91 (= N96), A92 (= A97), G93 (= G98), M141 (≠ V146), A142 (= A147), S143 (= S148), Y156 (= Y161), K160 (= K165), P186 (= P191), G187 (= G192), V189 (≠ T194), T191 (= T196), L193 (≠ I198)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ A100), S143 (= S148), N145 (≠ A150), K153 (≠ V158), Y156 (= Y161), Q197 (≠ A202)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
37% identity, 96% coverage: 7:261/266 of query aligns to 4:256/260 of 6zzqA

query
sites
6zzqA

L

L

Q

D

G

G

R

K

H

V

A

A

L

F

V

I

T

T

G
|
G

G

S

G

A

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

K

R

K

L

F

L

A

S

Q

H

E

G

G

A

A

S

K

V

V

T

V

L

I

L

S

G
x
D

R
x
M

D

N

A

A

A

E

T

K

L

C

A

Q

A

E

T

T

A

A

D

N

T

S

L

L

A

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E

E

-

Q

-

G

-

F

-

D

A

A

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L

V

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S

A

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P

A

C

M

-

L

-

C

-

T

-

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-

A

-

A

-

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D

I
x
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S

T

Q

D

A

E

D

D

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Y

A

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D

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I

I

N

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x
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M

A
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A

S
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S

T

I

A

N

G

G

L

L

V

I

G

G

Y

F

G

A

Y

G

V
x
K

S

A

A

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Y
|
Y

C

N

A

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A

A

K
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K

H

H

G

G

V

V

I

I

G

G

L

L

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T

R

K

A

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L

A

A

A

L

L

E

E

T

C

A

A

S

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S

D

G

G

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I

T

T

V

V

N

N

A

A

V

L

C

C

P

P

G

G

Y
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Y

T
x
V

E

D

T
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T

D

P

I

L

V

V

R

R

D

G

A
x
Q

V

I

A

A

N

D

I

L

V

A

R

K

K

T

T

R

G

N

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D

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S

A

A

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L

A

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L

G

A

N

M

-

V

P

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Q

G

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R

L

L

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L

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S

P

V

D

E

E

E

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A

A

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D

A

Y

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A

A

I

W

F

L

L

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P

S

S

K

A

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A

G

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G

G

G

active site: G17 (= G20), S142 (= S148), Y155 (= Y161)
binding acetoacetic acid: Q94 (≠ A100), S142 (= S148), K152 (≠ V158), Y155 (= Y161), Q196 (≠ A202)
binding nicotinamide-adenine-dinucleotide: G13 (= G16), S16 (≠ R19), G17 (= G20), I18 (= I21), D37 (≠ G40), M38 (≠ R41), D63 (= D69), V64 (≠ I70), N90 (= N96), A91 (= A97), G92 (= G98), M140 (≠ V146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), Y187 (= Y193), V188 (≠ T194), T190 (= T196)

P16544 Putative ketoacyl reductase; EC 1.3.1.- from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see 2 papers)
41% identity, 94% coverage: 12:261/266 of query aligns to 9:257/261 of P16544

query
sites
P16544

A

A

L

L

V
|
V

T
|
T

G
|
G

G
x
A

G
x
T

R
x
S

G
|
G

I
|
I

G
|
G

A
x
L

A
x
E

I
|
I

A
|
A

R
|
R

R
|
R

L
|
L

L
x
G

S
x
K

H
x
E

G
|
G

A
x
L

S
x
R

V
|
V

T
x
F

L
x
V

L
x
C

G
x
A

R
|
R

D
x
G

A

E

A

E

T

G

L

L

A

R

A

T

T

T

A

L

D

K

T

E

L

L

A

R

E

E

A

A

-

G

V

V

V

E

S

A

P

D

A

G

M

R

L

T

C

C

T

-

V

-

A

-

A

-

D
|
D

I

V

S

R

Q

S

A

V

D

P

S

E

V

I

A

E

A

A

A

L

F

V

A

A

D

A

A

V

A

V

G

E

K

R

A

Y

G

G

P

P

I

V

D

D

L

V

L

L

I

V

N

N

N

N

A

A

G

G

Q

R

A

P

R

G

S

G

A

G

P

A

F

T

G

A

K

E

T

L

D

A

L

D

A

E

L

L

W

W

Q

L

S

D

M

V

L

V

E

E

V

T

N

N

L

L

T

T

G

G

T

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

N

R

G

G

W

T

G

G

R

R

I

I

I

V

N

N

V

I

A

A

S

S

T

T

A

G

G

G

L

K

V

Q

G

G

Y

V

G

V

Y

H

V

A

S

A

A

P

Y

Y

C

S

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

L

L

E

E

T

L

A

A

S

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S

T

G

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G

G

Y

F

T

V

E

E

T

T

D

P

I

M

-

A

-

A

-

S

V

V

R

R

D

E

A

H

V

Y

A

S

N

D

I

I

V

W

R

E

K

V

T

S

G

-

R

-

T

T

E

E

A

-

Q

E

A

A

R

F

A

D

E

R

L

I

A

T

K

A

G

R

N

V

P

P

Q

I

G

G

R

R

L

Y

V

V

Q

Q

P

P

D

S

E

E

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V

A

A

D

E

A

M

V

V

A

A

W

Y

L

L

C

I

Q

G

P

P

S

G

A

A

S

A

A

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

11:39 (vs. 14:42, 48% identical) binding
D63 (= D69) binding
K161 (= K165) binding

1xr3A Actinorhodin polyketide ketoreductase with NADP and the inhibitor isoniazid bound (see paper)
41% identity, 94% coverage: 12:261/266 of query aligns to 4:252/256 of 1xr3A

query
sites
1xr3A

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

R

R

L

L

L

G

S

K

H

E

G

G

A

L

S

R

V

V

T

F

L

V

L

C

G
x
A

R
|
R

D
x
G

A

E

A

E

T

G

L

L

A

R

A

T

T

T

A

L

D

K

T

E

L

L

A

R

E

E

A

A

-

G

V

V

V

E

S

A

P

D

A

G

M

R

L

T

C
|
C

T

-

V

-

A

-

A

-

D
|
D

I
x
V

S

R

Q

S

A

V

D

P

S

E

V

I

A

E

A

A

A

L

F

V

A

A

D

A

A

V

A

V

G

E

K

R

A

Y

G

G

P

P

I

V

D

D

L

V

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

Q

R

A

P

R

G

S

G

A

G

P

A

F

T

G

A

K

E

T

L

D

A

L

D

A

E

L

L

W

W

Q

L

S

D

M

V

L

V

E

E

V

T

N
|
N

L

L

T

T

G

G

T

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

N

R

G

G

W

T

G

G

R

R

I

I

I

V

N

N

V

I

A

A

S
|
S

T
|
T

A
x
G

G

G

L

K

V

Q

G

G

Y
x
V

G

V

Y

H

V

A

S

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

L

L

E

E

T

L

A

A

S

R

S

T

G

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G
|
G

Y

F

T
x
V

E

E

T
|
T

D
x
P

I

M

-

A

-

A

-

S

V

V

R

R

D

E

A

H

V
x
Y

A

S

N

D

I

I

V

W

R

E

K

V

T

S

G

-

R

-

T

T

E

E

A

-

Q

E

A

A

R

F

A

D

E

R

L

I

A

T

K

A

G

R

N

V

P

P

Q

I

G

G

R

R

L

Y

V

V

Q

Q

P

P

D

S

E

E

V

V

A

A

D

E

A

M

V

V

A

A

W

Y

L

L

C

I

Q

G

P

P

S

G

A

A

S

A

A

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G12 (= G20), N109 (= N120), S139 (= S148), Y152 (= Y161), K156 (= K165), Y197 (≠ V203)
binding 4-(diazenylcarbonyl)pyridine: T140 (= T149), G141 (≠ A150), V146 (≠ Y155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G16), T10 (≠ G18), S11 (≠ R19), G12 (= G20), I13 (= I21), A32 (≠ G40), R33 (= R41), G34 (≠ D42), C57 (= C64), D58 (= D69), V59 (≠ I70), N85 (= N96), A86 (= A97), G87 (= G98), S139 (= S148), Y152 (= Y161), K156 (= K165), G183 (= G192), V185 (≠ T194), T187 (= T196), P188 (≠ D197)

2rh4B Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
41% identity, 94% coverage: 12:261/266 of query aligns to 16:264/268 of 2rh4B

query
sites
2rh4B

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

R

R

L

L

L

G

S

K

H

E

G

G

A

L

S

R

V

V

T

F

L

V

L

C

G
x
A

R
|
R

D
x
G

A

E

A

E

T

G

L

L

A

R

A

T

T

T

A

L

D

K

T

E

L

L

A

R

E

E

A

A

-

G

V

V

V

E

S

A

P

D

A

G

M

R

L

T

C
|
C

T

-

V

-

A

-

A

-

D
|
D

I
x
V

S

R

Q

S

A

V

D

P

S

E

V

I

A

E

A

A

A

L

F

V

A

A

D

A

A

V

A

V

G

E

K

R

A

Y

G

G

P

P

I

V

D

D

L

V

L

L

I

V

N

N

N
|
N

A

A

G

G

Q

R

A

P

R

G

S

G

A

G

P

A

F

T

G

A

K

E

T

L

D

A

L

D

A

E

L

L

W

W

Q

L

S

D

M

V

L

V

E

E

V

T

N
|
N

L

L

T

T

G

G

T

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

N

R

G

G

W

T

G

G

R

R

I

I

I

V

N

N

V

I

A

A

S
|
S

T

T

A

G

G

G

L

K

V

Q

G

G

Y

V

G

V

Y

H

V

A

S

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

L

L

E

E

T

L

A

A

S

R

S

T

G

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G
|
G

Y

F

T
x
V

E

E

T
|
T

D

P

I
x
M

-

A

-

A

-

S

V

V

R

R

D

E

A

H

V
x
Y

A

S

N

D

I

I

V

W

R

E

K

V

T

S

G

-

R

-

T

T

E

E

A

-

Q

E

A

A

R

F

A

D

E

R

L

I

A

T

K

A

G

R

N

V

P

P

Q

I

G

G

R

R

L

Y

V

V

Q

Q

P

P

D

S

E

E

V

V

A

A

D

E

A

M

V

V

A

A

W

Y

L

L

C

I

Q

G

P

P

S

G

A

A

S

A

A

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G24 (= G20), N121 (= N120), S151 (= S148), Y164 (= Y161), K168 (= K165), Y209 (≠ V203)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G16), T22 (≠ G18), S23 (≠ R19), I25 (= I21), A44 (≠ G40), R45 (= R41), G46 (≠ D42), C69 (= C64), D70 (= D69), V71 (≠ I70), N97 (= N96), S151 (= S148), Y164 (= Y161), K168 (= K165), G195 (= G192), V197 (≠ T194), T199 (= T196), M201 (≠ I198)

1w4zA Structure of actinorhodin polyketide (actiii) reductase (see paper)
41% identity, 94% coverage: 12:261/266 of query aligns to 7:255/259 of 1w4zA

query
sites
1w4zA

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

R

R

L

L

L

G

S

K

H

E

G

G

A

L

S

R

V

V

T

F

L

V

L

C

G

A

R
|
R

D
x
G

A

E

A

E

T

G

L

L

A

R

A

T

T

T

A

L

D

K

T

E

L

L

A

R

E

E

A

A

-

G

V

V

V

E

S

A

P

D

A

G

M

R

L

T

C

C

T

-

V

-

A

-

A

-

D
|
D

I
x
V

S

R

Q

S

A

V

D

P

S

E

V

I

A

E

A

A

A

L

F

V

A

A

D

A

A

V

A

V

G

E

K

R

A

Y

G

G

P

P

I

V

D

D

L

V

L

L

I

V

N

N

N
|
N

A

A

G
|
G

Q

R

A

P

R

G

S

G

A

G

P

A

F

T

G

A

K

E

T

L

D

A

L

D

A

E

L

L

W

W

Q

L

S

D

M

V

L

V

E

E

V

T

N
|
N

L

L

T

T

G

G

T

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

N

R

G

G

W

T

G

G

R

R

I

I

I

V

N

N

V

I

A

A

S
|
S

T

T

A

G

G

G

L

K

V

Q

G

G

Y

V

G

V

Y

H

V

A

S

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

L

L

E

E

T

L

A

A

S

R

S

T

G

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y

F

T
x
V

E

E

T
|
T

D

P

I

M

-

A

-

A

-

S

V

V

R

R

D

E

A

H

V
x
Y

A

S

N

D

I

I

V

W

R

E

K

V

T

S

G

-

R

-

T

T

E

E

A

-

Q

E

A

A

R

F

A

D

E

R

L

I

A

T

K

A

G

R

N

V

P

P

Q

I

G

G

R

R

L

Y

V

V

Q

Q

P

P

D

S

E

E

V

V

A

A

D

E

A

M

V

V

A

A

W

Y

L

L

C

I

Q

G

P

P

S

G

A

A

S

A

A

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G15 (= G20), N112 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), Y200 (≠ V203)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), T13 (≠ G18), S14 (≠ R19), G15 (= G20), I16 (= I21), R36 (= R41), G37 (≠ D42), D61 (= D69), V62 (≠ I70), N88 (= N96), G90 (= G98), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), V188 (≠ T194), T190 (= T196)

2rh4A Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
41% identity, 94% coverage: 12:261/266 of query aligns to 5:253/257 of 2rh4A

query
sites
2rh4A

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

R

R

L

L

L

G

S

K

H

E

G

G

A

L

S

R

V

V

T

F

L

V

L

C

G
x
A

R
|
R

D
x
G

A

E

A

E

T

G

L

L

A

R

A

T

T

T

A

L

D

K

T

E

L

L

A

R

E

E

A

A

-

G

V

V

V

E

S

A

P

D

A

G

M

R

L

T

C
|
C

T

-

V

-

A

-

A

-

D
|
D

I
x
V

S

R

Q

S

A

V

D

P

S

E

V

I

A

E

A

A

A

L

F

V

A

A

D

A

A

V

A

V

G

E

K

R

A

Y

G

G

P

P

I

V

D

D

L

V

L

L

I

V

N

N

N
|
N

A

A

G
|
G

Q

R

A

P

R

G

S

G

A

G

P

A

F

T

G

A

K

E

T

L

D

A

L

D

A

E

L

L

W

W

Q

L

S

D

M

V

L

V

E

E

V

T

N
|
N

L

L

T

T

G

G

T

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

H

G

M

M

L

L

A

E

N

R

G

G

W

T

G

G

R

R

I

I

I

V

N

N

V

I

A

A

S
|
S

T
|
T

A

G

G

G

L

K

V
x
Q

G

G

Y
x
V

G

V

Y

H

V

A

S

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

L

L

E

E

T

L

A

A

S

R

S

T

G

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y
x
F

T
x
V

E

E

T
|
T

D

P

I
x
M

-

A

-

A

-

S

V

V

R

R

D

E

A

H

V
x
Y

A

S

N

D

I

I

V

W

R

E

K

V

T

S

G

-

R

-

T

T

E

E

A

-

Q

E

A

A

R

F

A

D

E

R

L

I

A

T

K

A

G

R

N

V

P

P

Q

I

G

G

R

R

L

Y

V

V

Q

Q

P

P

D

S

E

E

V

V

A

A

D

E

A

M

V

V

A

A

W

Y

L

L

C

I

Q

G

P

P

S

G

A

A

S

A

A

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G13 (= G20), N110 (= N120), S140 (= S148), Y153 (= Y161), K157 (= K165), Y198 (≠ V203)
binding 3-methyl-1,6,8-trihydroxyanthraquinone: T141 (= T149), Q145 (≠ V153), V147 (≠ Y155), Y153 (= Y161), F185 (≠ Y193)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G16), T11 (≠ G18), S12 (≠ R19), G13 (= G20), I14 (= I21), A33 (≠ G40), R34 (= R41), G35 (≠ D42), C58 (= C64), D59 (= D69), V60 (≠ I70), N86 (= N96), G88 (= G98), S140 (= S148), Y153 (= Y161), K157 (= K165), P183 (= P191), G184 (= G192), V186 (≠ T194), T188 (= T196), M190 (≠ I198)

Sites not aligning to the query:

binding 3-methyl-1,6,8-trihydroxyanthraquinone: 254

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
39% identity, 96% coverage: 7:261/266 of query aligns to 2:256/260 of 2ztlA

query
sites
2ztlA

L

L

Q

K

G

G

R

K

H

V

A

A

L

V

V

V

T

T

G
|
G

G

S

G

T

R

S

G
|
G

I
|
I

G

G

A

L

A

G

I

I

A

A

R

T

R

A

L

L

L

A

S

A

H

Q

G

G

A

A

S

D

V

I

T

V

L

L

L

N

G

G

R
x
F

-

G

D

D

A

A

A

A

T

E

L

I

A

E

A

K

T

V

A

R

D

A

T

G

L

L

A

A

E

A

A

Q

V

-

V

-

S

H

P

G

A

V

M

K

L

V

C

L

T

Y

V

D

A

G

A

A

D

D

I
x
L

S

S

Q

K

A

G

D

E

S

A

V

V

A

R

A

G

A

L

F

V

A

D

D

N

A

A

A

V

G

R

K

Q

A

M

G

G

P

R

I

I

D

D

L

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

Q

I

A
x
Q

R

H

S

T

A

A

P

L

F

I

G

E

K

D

T

F

D

P

L

T

A

E

L

K

W

W

Q

D

S

A

M

I

L

L

E

A

V
x
L

N
|
N

L

L

T

S

G

A

T

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

H

H

M

M

L

K

A

K

N

Q

G

G

W

F

G

G

R

R

I

I

I

I

N

N

V

I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

V

V

G

A

Y

S

G

A

Y

N

V
x
K

S

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

V

L

T

A

A

L

L

E

E

T

T

A

A

S

G

S

Q

G

G

V

I

T

T

V

A

N

N

A

A

V

I

C

C

P
|
P

G

G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I

L

V
|
V

R

E

D

K

A
x
Q

V

I

A

S

N

A

I
x
L

V

A

R

E

K

K

T

N

G

G

-

V

R

D

T

Q

E

E

A

T

Q

A

A

A

R

R

A

E

E

L

L

L

A

S

K

E

G

K

N

Q

P

P

Q

S

G

L

R

Q

L

F

V

V

Q

T

P

P

D

E

E

Q

V

L

A

G

D

G

A

T

V

A

A

V

W

F

L

L

C

A

Q

S

P

D

S

A

A

A

S

A

A

Q

I

I

T

T

G

G

Q

T

S

T

I

V

A

S

V

V

A

D

G

G

G

G

active site: G15 (= G20), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), L200 (≠ I206)
binding (3s)-3-hydroxybutanoic acid: Q94 (≠ A100), S142 (= S148), H144 (≠ A150), K152 (≠ V158), Y155 (= Y161), Q196 (≠ A202)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), G15 (= G20), I16 (= I21), F36 (≠ R41), L64 (≠ I70), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ V119), Y155 (= Y161), K159 (= K165), P185 (= P191), W187 (≠ Y193), V188 (≠ T194), T190 (= T196), V193 (= V199)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
39% identity, 96% coverage: 7:261/266 of query aligns to 2:256/260 of 1wmbA

query
sites
1wmbA

L

L

Q

K

G

G

R

K

H

V

A

A

L

V

V

V

T

T

G

G

G

S

G

T

R

S

G
|
G

I

I

G

G

A

L

A

G

I

I

A

A

R

T

R

A

L

L

L

A

S

A

H

Q

G

G

A

A

S

D

V

I

T

V

L

L

L

N

G

G

R

F

-

G

D

D

A

A

A

A

T

E

L

I

A

E

A

K

T

V

A

R

D

A

T

G

L

L

A

A

E

A

A

Q

V

-

V

-

S

H

P

G

A

V

M

K

L

V

C

L

T

Y

V

D

A

G

A

A

D

D

I

L

S

S

Q

K

A

G

D

E

S

A

V

V

A

R

A

G

A

L

F

V

A

D

D

N

A

A

A

V

G

R

K

Q

A

M

G

G

P

R

I

I

D

D

L

I

L

L

I

V

N

N

N

N

A

A

G

G

Q

I

A

Q

R

H

S

T

A

A

P

L

F

I

G

E

K

D

T

F

D

P

L

T

A

E

L

K

W

W

Q

D

S

A

M

I

L

L

E

A

V

L

N
|
N

L

L

T

S

G

A

T

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

H

H

M

M

L

K

A

K

N

Q

G

G

W

F

G

G

R

R

I

I

I

I

N

N

V

I

A

A

S
|
S

T

A

A

H

G

G

L

L

V

V

G

A

Y

S

G

A

Y

N

V

K

S

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

V

L

T

A

A

L

L

E

E

T

T

A

A

S

G

S

Q

G

G

V

I

T

T

V

A

N

N

A

A

V

I

C

C

P

P

G

G

Y

W

T

V

E

R

T

T

D

P

I

L

V

V

R

E

D

K

A

Q

V

I

A

S

N

A

I
x
L

V

A

R

E

K

K

T

N

G

G

-

V

R

D

T

Q

E

E

A

T

Q

A

A

A

R

R

A

E

E

L

L

L

A

S

K

E

G

K

N

Q

P

P

Q

S

G

L

R

Q

L

F

V

V

Q

T

P

P

D

E

E

Q

V

L

A

G

D

G

A

T

V

A

A

V

W

F

L

L

C

A

Q

S

P

D

S

A

A

A

S

A

A

Q

I

I

T

T

G

G

Q

T

S

T

I

V

A

S

V

V

A

D

G

G

G

G

active site: G15 (= G20), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), L200 (≠ I206)
binding cacodylate ion: S142 (= S148), Y155 (= Y161)

Sites not aligning to the query:

binding cacodylate ion: 257

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
40% identity, 96% coverage: 6:261/266 of query aligns to 1:251/255 of 2q2qD

query
sites
2q2qD

S

T

L

L

Q

K

G

G

R

K

H

T

A

A

L

L

V

V

T

T

G
|
G

G

S

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

G

I

I

A

A

R

Q

R

V

L

L

L

A

S

R

H

A

G

G

A

A

S

N

V

I

T

V

L

L

-

N

-

G

L
x
F

G

G

R

D

D

P

A

A

A

P

T

A

L

L

A

A

A

E

T

I

A

A

D

R

T

H

L

G

A

V

E

K

A

A

V

V

V

H

S

H

P

P

A

A

M

-

L

-

C

-

T

-

V

-

A

-

A

-

D
|
D

I
x
L

S

S

Q

D

A

V

D

A

S

Q

V

I

A

E

A

A

A

L

F

F

A

A

D

L

A

A

A

E

G

R

K

E

A

F

G

G

P

G

I

V

D

D

L

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

Q

I

A

Q

R

H

S

V

A

A

P

P

F

V

G

E

K

Q

T

F

D

P

L

L

A

E

L

S

W

W

Q

D

S

K

M

I

L

I

E

A

V
x
L

N

N

L

L

T

S

G

A

T

V

F

F

L

H

C

G

T

T

Q

R

A

L

A

A

L

L

P

P

H

G

M

M

L

R

A

A

N

R

G

N

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A

A

S
|
S

T

V

A

H

G

G

L

L

V

V

G

G

Y

S

G

T

Y

G

V

K

S

A

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

R

K

A

V

L

V

A

G

L

L

E

E

T

T

A

A

S

T

S

S

G

N

V

V

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

T
x
V

E

L

T
|
T

D

P

I
x
L

V
|
V

R

Q

D

K

A

Q

V

I

A

D

N

D

I
x
R

V

A

R

A

K

N

T

G

G

G

R

D

T

P

E

L

A

Q

Q

A

A

Q

R

H

A

D

E

L

L

L

A

A

K

E

G

K

N

Q

P

P

Q

S

G

L

R

A

L

F

V

V

Q

T

P

P

D

E

E

H

V

L

A

G

D

E

A

L

V

V

A

L

W

F

L

L

C

C

Q

S

P

E

S

A

A

G

S

S

A

Q

I

V

T

R

G

G

Q

A

S

A

I

W

A

N

V

V

A

D

G

G

G

G

active site: G15 (= G20), S138 (= S148), Y151 (= Y161), K155 (= K165), R196 (≠ I206)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (≠ G18), S14 (≠ R19), G15 (= G20), I16 (= I21), F36 (≠ L39), D59 (= D69), L60 (≠ I70), N86 (= N96), G88 (= G98), L109 (≠ V119), I136 (≠ V146), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (= P191), G182 (= G192), W183 (≠ Y193), V184 (≠ T194), T186 (= T196), L188 (≠ I198), V189 (= V199)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
38% identity, 96% coverage: 7:261/266 of query aligns to 2:256/260 of 5b4tA

query
sites
5b4tA

L

L

Q

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G
x
T

R

S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

R

E

L

L

L

A

S

K

H

A

G

G

A

A

S

D

V

V

T

V

L

I

L

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

A

R

A

S

T

T

L

L

A

E

A

S

T

K

A

F

D

G

T

V

L

K

A

A

E

-

A

-

V

-

V

-

S

-

P

-

A

-

M

-

L

-

C

Y

T

Y

V

L

A

N

A

A

D
|
D

I
x
L

S

S

Q

D

A

A

D

Q

S

A

V

T

A

R

A

D

A

F

F

I

A

A

D

K

A

A

A

A

G

E

K

A

A

L

G

G

P

G

I

L

D

D

L

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

Q

I

A
x
Q

R

H

S

T

A

A

P

P

F

I

G

E

K

E

T

F

D

P

L

V

A

D

L

K

W

W

Q

N

S

A

M

I

L

I

E

A

V
x
L

N
|
N

L

L

T

S

G

A

T

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

H

I

M

M

L

Q

A

K

N

Q

G

G

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

V

V

G

A

Y

S

G

V

Y

N

V
x
K

S

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

L

L

E

E

T

N

A

A

S

G

S

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

R

E

D

K

A
x
Q

V

I

A

E

N

A

I
|
I

V

S

R

Q

K

Q

T

K

G

G

-

I

R

D

T

I

E

E

A

A

Q

A

A

A

R

R

A

E

E

L

L

L

A

A

K

E

G

K

N

Q

P

P

Q

S

G

L

R

Q

L

F

V

V

Q

T

P

P

D

E

E

Q

V

L

A

G

D

G

A

A

V

A

A

V

W

F

L

L

C

S

Q

S

P

A

S

A

A

A

S

D

A

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (= I206)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ A100), S142 (= S148), H144 (≠ A150), K152 (≠ V158), Y155 (= Y161), W187 (≠ Y193), Q196 (≠ A202)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (≠ G18), G15 (= G20), I16 (= I21), F36 (vs. gap), D63 (= D69), L64 (≠ I70), N90 (= N96), G92 (= G98), L113 (≠ V119), I140 (≠ V146), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (≠ Y193), V188 (≠ T194), T190 (= T196), L192 (≠ I198), V193 (= V199)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
38% identity, 96% coverage: 7:261/266 of query aligns to 2:256/260 of 3w8dA

query
sites
3w8dA

L

L

Q

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

R

E

L

L

L

A

S

K

H

A

G

G

A

A

S

D

V

V

T

V

L

I

L

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

A

R

A

S

T

T

L

L

A

E

A

S

T

K

A

F

D

G

T

V

L

K

A

A

E

-

A

-

V

-

V

-

S

-

P

-

A

-

M

-

L

-

C

Y

T

Y

V

L

A

N

A
|
A

D
|
D

I
x
L

S

S

Q

D

A

A

D

Q

S

A

V

T

A

R

A

D

A

F

F

I

A

A

D

K

A

A

A

A

G

E

K

A

A

L

G

G

P

G

I

L

D

D

L

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

Q

I

A
x
Q

R

H

S

T

A

A

P

P

F

I

G

E

K

E

T

F

D

P

L

V

A

D

L

K

W

W

Q

N

S

A

M

I

L

I

E

A

V
x
L

N
|
N

L

L

T

S

G

A

T

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

H

I

M

M

L

Q

A

K

N

Q

G

G

W

W

G

G

R

R

I

I

I

I

N

N

V

I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

V

V

G

A

Y

S

G

V

Y

N

V
x
K

S

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

L

L

E

E

T

N

A

A

S

G

S

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

R

E

D

K

A
x
Q

V

I

A

E

N

A

I
|
I

V

S

R

Q

K

Q

T

K

G

G

-

I

R

D

T

I

E

E

A

A

Q

A

A

A

R

R

A

E

E

L

L

L

A

A

K

E

G

K

N

Q

P

P

Q

S

G

L

R

Q

L

F

V

V

Q

T

P

P

D

E

E

Q

V

L

A

G

D

G

A

A

V

A

A

V

W

F

L

L

C

S

Q

S

P

A

S

A

A

A

S

D

A

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (= I206)
binding methylmalonic acid: Q94 (≠ A100), S142 (= S148), H144 (≠ A150), K152 (≠ V158), Y155 (= Y161), W187 (≠ Y193), Q196 (≠ A202)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (≠ G18), S14 (≠ R19), G15 (= G20), I16 (= I21), F36 (vs. gap), A62 (= A68), D63 (= D69), L64 (≠ I70), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ V119), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (≠ Y193), V188 (≠ T194), T190 (= T196), L192 (≠ I198), V193 (= V199)

Sites not aligning to the query:

binding methylmalonic acid: 257

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
38% identity, 96% coverage: 7:261/266 of query aligns to 2:256/260 of 3vdrA

query
sites
3vdrA

L

L

Q

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G
x
T

R

S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

R

E

L

L

L

A

S

K

H

A

G

G

A

A

S

D

V

V

T

V

L

I

L

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

A

R

A

S

T

T

L

L

A

E

A

S

T

K

A

F

D

G

T

V

L

K

A

A

E

-

A

-

V

-

V

-

S

-

P

-

A

-

M

-

L

-

C

Y

T

Y

V

L

A

N

A

A

D
|
D

I
x
L

S

S

Q

D

A

A

D

Q

S

A

V

T

A

R

A

D

A

F

F

I

A

A

D

K

A

A

A

A

G

E

K

A

A

L

G

G

P

G

I

L

D

D

L

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

Q

I

A
x
Q

R

H

S

T

A

A

P

P

F

I

G

E

K

E

T

F

D

P

L

V

A

D

L

K

W

W

Q

N

S

A

M

I

L

I

E

A

V
x
L

N
|
N

L

L

T

S

G

A

T

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

H

I

M

M

L

Q

A

K

N

Q

G

G

W

W

G

G

R

R

I

I

I

I

N

N

V

I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

V

V

G

A

Y

S

G

V

Y

N

V
x
K

S

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

L

L

E

E

T

N

A

A

S

G

S

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P

P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

R

E

D

K

A
x
Q

V

I

A

E

N

A

I
|
I

V

S

R

Q

K

Q

T

K

G

G

-

I

R

D

T

I

E

E

A

A

Q

A

A

A

R

R

A

E

E

L

L

L

A

A

K

E

G

K

N

Q

P

P

Q

S

G

L

R

Q

L

F

V

V

Q

T

P

P

D

E

E

Q

V

L

A

G

D

G

A

A

V

A

A

V

W

F

L

L

C

S

Q

S

P

A

S

A

A

A

S

D

A

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (= I206)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ A100), H144 (≠ A150), K152 (≠ V158), Y155 (= Y161), W187 (≠ Y193), Q196 (≠ A202)
binding acetoacetic acid: Q94 (≠ A100), H144 (≠ A150), K152 (≠ V158), Y155 (= Y161), W187 (≠ Y193), Q196 (≠ A202)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (≠ G18), I16 (= I21), F36 (vs. gap), D63 (= D69), L64 (≠ I70), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ V119), K159 (= K165), G186 (= G192), V188 (≠ T194), T190 (= T196), L192 (≠ I198), V193 (= V199)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G16), T13 (≠ G18), I16 (= I21), F36 (vs. gap), D63 (= D69), L64 (≠ I70), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ V119), S142 (= S148), Y155 (= Y161), K159 (= K165), G186 (= G192), V188 (≠ T194), T190 (= T196), L192 (≠ I198), V193 (= V199)

Sites not aligning to the query:

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
38% identity, 96% coverage: 7:261/266 of query aligns to 2:256/260 of 3vdqA

query
sites
3vdqA

L

L

Q

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G

T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

R

E

L

L

L

A

S

K

H

A

G

G

A

A

S

D

V

V

T

V

L

I

L

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

A

R

A

S

T

T

L

L

A

E

A

S

T

K

A

F

D

G

T

V

L

K

A

A

E

-

A

-

V

-

V

-

S

-

P

-

A

-

M

-

L

-

C

Y

T

Y

V

L

A

N

A

A

D
|
D

I
x
L

S

S

Q

D

A

A

D

Q

S

A

V

T

A

R

A

D

A

F

F

I

A

A

D

K

A

A

A

A

G

E

K

A

A

L

G

G

P

G

I

L

D

D

L

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

Q

I

A
x
Q

R

H

S

T

A

A

P

P

F

I

G

E

K

E

T

F

D

P

L

V

A

D

L

K

W

W

Q

N

S

A

M

I

L

I

E

A

V
x
L

N
|
N

L

L

T

S

G

A

T

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

H

I

M

M

L

Q

A

K

N

Q

G

G

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

V

V

G

A

Y

S

G

V

Y

N

V
x
K

S

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

V

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

L

L

E

E

T

N

A

A

S

G

S

K

G

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

R

E

D

K

A
x
Q

V

I

A

E

N

A

I
|
I

V

S

R

Q

K

Q

T

K

G

G

-

I

R

D

T

I

E

E

A

A

Q

A

A

A

R

R

A

E

E

L

L

L

A

A

K

E

G

K

N

Q

P

P

Q

S

G

L

R

Q

L

F

V

V

Q

T

P

P

D

E

E

Q

V

L

A

G

D

G

A

A

V

A

A

V

W

F

L

L

C

S

Q

S

P

A

S

A

A

A

S

D

A

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (= N120), S142 (= S148), Y155 (= Y161), K159 (= K165), I200 (= I206)
binding acetate ion: Q94 (≠ A100), H144 (≠ A150), K152 (≠ V158), W187 (≠ Y193), L192 (≠ I198), Q196 (≠ A202)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), S14 (≠ R19), I16 (= I21), F36 (vs. gap), D63 (= D69), L64 (≠ I70), N90 (= N96), A91 (= A97), G92 (= G98), L113 (≠ V119), I140 (≠ V146), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), W187 (≠ Y193), V188 (≠ T194), T190 (= T196), L192 (≠ I198), V193 (= V199)

3sjuA Hedamycin polyketide ketoreductase bound to NADPH (see paper)
40% identity, 94% coverage: 12:261/266 of query aligns to 3:251/255 of 3sjuA

query
sites
3sjuA

A

A

L

F

V

V

T

T

G
|
G

G

V

G

S

R
x
S

G
|
G

I

I

G

G

A

L

A

A

I

V

A

A

R

R

R

T

L

L

L

A

S

A

H

R

G

G

A

I

S

A

V

V

T

Y

L

G

L

C

G
x
A

R
|
R

D
|
D

A

A

A

K

T

N

L

V

A

S

A

A

T

A

A

V

D

D

T

G

L

L

A

R

E

A

A

A

V

-

V

-

S

-

P

G

A

H

M

D

L

V

C

D

T

G

V

S

A

S

A
x
C

D
|
D

I
x
V

S

T

Q

S

A

T

D

D

S

E

V

V

A

H

A

A

A

A

F

V

A

A

D

A

A

A

A

V

G

E

K

R

A

F

G

G

P

P

I

I

D

G

L

I

L

L

I

V

N

N

N
x
S

A
|
A

G
|
G

Q

R

A

N

R

G

S

G

A

G

P

E

F

T

G

A

K

D

T

L

D

D

L

D

A

A

L

L

W

W

Q

A

S

D

M

V

L

L

E

D

V

T

N

N

L

L

T

T

G

G

T

V

F

F

L

R

C

V

T

T

Q

R

A

E

A

V

L

L

P

R

-

A

-

G

H

G

M

M

L

R

A

E

N

A

G

G

W

W

G

G

R

R

I

I

I

V

N

N

V
x
I

A

A

S
|
S

T

T

A

G

G

G

L

K

V

Q

G

G

Y

V

G

M

Y

Y

V

A

S

A

A

P

Y
|
Y

C

T

A

A

A

S

K
|
K

H

H

G

G

V

V

I

V

G

G

L

F

T

T

R

K

A

S

L

V

A

G

L

F

E

E

T

L

A

A

S

K

S

T

G

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y
|
Y

T
x
V

E

E

T
|
T

D

P

I
x
M

V

A

R

E

D

R

A

V

V

R

A

E

N

G

I
x
Y

V

A

R

R

K

H

T

W

G

G

R

V

T

T

E

E

A

Q

Q

E

A

V

R

H

A

E

E

R

L

F

A

N

K

A

G

K

N

I

P

P

Q

L

G

G

R

R

L

Y

V

S

Q

T

P

P

D

E

E

E

V

V

A

A

D

G

A

L

V

V

A

G

W

Y

L

L

C

V

Q

T

P

D

S

A

A

A

S

A

A

S

I

I

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G11 (= G20), S138 (= S148), Y151 (= Y161), K155 (= K165), Y196 (≠ I206)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G16), S10 (≠ R19), A31 (≠ G40), R32 (= R41), D33 (= D42), C56 (≠ A68), D57 (= D69), V58 (≠ I70),