SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SMc02037 FitnessBrowser__Smeli:SMc02037 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)

3lqfA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD and erythritol (see paper)
45% identity, 99% coverage: 2:255/256 of query aligns to 3:253/254 of 3lqfA

query
sites
3lqfA

Y

Y

A

R

E

T

L

V

F

F

R

R

L

L

N

D

G

G

R

A

A

C

A

A

F

A

V

V

T

T

G
|
G

G

A

S

G

R
x
S

G
|
G

I
|
I

G

G

F

L

A

E

C

I

A

C

E

R

A

A

L

F

G

A

E

A

A

S

G

G

A

A

R

R

V

L

A

I

I

L

S

I

A
x
D

R
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R

S

E

R

A

D

A

E

A

G

L

E

D

K

R

A

A

V

A

R

Q

Q

E

L

L

R

-

Q

-

K

G

G

A

I

A

E

V

A

A

I

A

Y

R

L

I

P

V

A

A

D
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D

I
x
V

S

T

N

D

E

A

S

E

A

A

A

M

Q

T

Q

A

V

A

R

A

Q

E

A

A

A

E

A

A

E

V

L

A

G

P

G

-

L

V

D

S

I

I

L

L

V

V

N

N

N
x
S

A

A

G

G

I

I

A

A

R

R

H

L

C

H

D

D

S

A

L

L

K

E

L

T

E

D

P

D

E

A

T

T

W

W

D

R

E

Q

V

V

I

M

N

A

T

V

N

N

L

V

T

D

G

G

L

M

F

F

W

W

C

A

C

S

R

R

A

A

A

F

I

G

E

R

T

A

M

M

S

V

A

A

A

R

G

G

R

A

G

G

S

A

I

I

V

V

N

N

I
x
L

G

G

S
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S

I

M

S

S

G

G

Y

T

I

I

S

V

N
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N

L

R

P

P

Q

Q

N

F

Q

A

V

S

A

S

Y
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Y

N

M

A

A

S

S

K
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K

A

G

G

A

V

V

H

H

M

Q

L

L

T

T

K

R

S

A

L

L

A

A

G

A

E

E

F

W

A

A

K

G

S

R

N

G

I

V

R

R

I

V

N

N

A

A

V

L

A

A

P
|
P

G

G

Y
|
Y

I
x
V

E

A

T
|
T

A

E

M
|
M

T
|
T

Q

L

G

K

G
x
M

L

R

D

E

D

R

P

P

E

E

W

L

S

F

K

E

I

T

W

W

L

L

G

D

M

M

T

T

P

P

L

M

G

G

R

R

A

C

G

G

K

E

A

P

S

S

E

E

V

I

A

A

V

A

L

L

F

F

L

L

A

A

S

S

D

P

A

A

S

S

Y

Y

I

V

T

T

G

G

S

A

V

I

L

L

T

A

I

V

D

D

G

G

Y

Y

T

T

I

V

active site: G22 (= G21), S144 (= S146), Y159 (= Y161), K163 (= K165)
binding meso-erythritol: N151 (= N153), Y159 (= Y161), Y191 (= Y193), T197 (= T199), M200 (≠ G202)
binding nicotinamide-adenine-dinucleotide: G18 (= G17), S21 (≠ R20), G22 (= G21), I23 (= I22), D42 (≠ A41), R43 (= R42), D66 (= D67), V67 (≠ I68), S92 (≠ N94), L142 (≠ I144), S144 (= S146), K163 (= K165), P189 (= P191), V192 (≠ I194), T194 (= T196), M196 (= M198), T197 (= T199)

2wsbA Crystal structure of the short-chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD (see paper)
45% identity, 99% coverage: 2:255/256 of query aligns to 3:253/254 of 2wsbA

query
sites
2wsbA

Y

Y

A

R

E

T

L

V

F

F

R

R

L

L

N

D

G

G

R

A

A

C

A

A

F

A

V

V

T

T

G
|
G

G

A

S

G

R
x
S

G
|
G

I
|
I

G

G

F

L

A

E

C

I

A

C

E

R

A

A

L

F

G

A

E

A

A

S

G

G

A

A

R

R

V

L

A

I

I

L

S

I

A
x
D

R
|
R

S

E

R

A

D

A

E

A

G

L

E

D

K

R

A

A

V

A

R

Q

Q

E

L

L

R

-

Q

-

K

G

G

A

I

A

E

V

A

A

I

A

Y

R

L

I

P

V

A

A

D
|
D

I
x
V

S

T

N

D

E

A

S

E

A

A

A

M

Q

T

Q

A

V

A

R

A

Q

E

A

A

A

E

A

A

E

V

L

A

G

P

G

-

L

V

D

S

I

I

L

L

V

V

N

N

N
x
S

A
|
A

G

G

I

I

A

A

R

R

H

L

C

H

D

D

S

A

L

L

K

E

L

T

E

D

P

D

E

A

T

T

W

W

D

R

E

Q

V

V

I

M

N

A

T

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N

N

L

V

T

D

G

G

L

M

F

F

W

W

C

A

C

S

R

R

A

A

A

F

I

G

E

R

T

A

M

M

S

V

A

A

A

R

G

G

R

A

G

G

S

A

I

I

V

V

N

N

I
x
L

G

G

S
|
S

I
x
M

S

S

G

G

Y

T

I

I

S

V

N
|
N

L

R

P

P

Q

Q

N

F

Q

A

V

S

A

S

Y
|
Y

N

M

A

A

S

S

K
|
K

A

G

G

A

V

V

H

H

M

Q

L

L

T

T

K

R

S

A

L

L

A

A

G

A

E

E

F

W

A

A

K

G

S

R

N

G

I

V

R

R

I

V

N

N

A

A

V

L

A

A

P
|
P

G

G

Y
|
Y

I
x
V

E

A

T
|
T

A

E

M
|
M

T
|
T

Q

L

G

K

G

M

L

R

D

E

D

R

P

P

E

E

W

L

S

F

K

E

I

T

W

W

L

L

G

D

M

M

T

T

P

P

L

M

G

G

R

R

A

C

G

G

K

E

A

P

S

S

E

E

V

I

A

A

V

A

L

L

F

F

L

L

A

A

S

S

D

P

A

A

S

S

Y

Y

I

V

T

T

G

G

S

A

V

I

L

L

T

A

I

V

D

D

G

G

Y

Y

T

T

I

V

active site: G22 (= G21), S144 (= S146), Y159 (= Y161), K163 (= K165)
binding nicotinamide-adenine-dinucleotide: G18 (= G17), S21 (≠ R20), G22 (= G21), I23 (= I22), D42 (≠ A41), R43 (= R42), D66 (= D67), V67 (≠ I68), S92 (≠ N94), A93 (= A95), L142 (≠ I144), S144 (= S146), Y159 (= Y161), K163 (= K165), P189 (= P191), V192 (≠ I194), T194 (= T196), M196 (= M198), T197 (= T199)
binding n-propanol: S144 (= S146), M145 (≠ I147), N151 (= N153), N151 (= N153), Y159 (= Y161), Y159 (= Y161), Y191 (= Y193)

2wdzA Crystal structure of the short chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD+ and 1,2-pentandiol (see paper)
45% identity, 99% coverage: 2:255/256 of query aligns to 3:253/254 of 2wdzA

query
sites
2wdzA

Y

Y

A

R

E

T

L

V

F

F

R

R

L

L

N

D

G

G

R

A

A

C

A

A

F

A

V

V

T

T

G
|
G

G

A

S

G

R
x
S

G
|
G

I
|
I

G

G

F

L

A

E

C

I

A

C

E

R

A

A

L

F

G

A

E

A

A

S

G

G

A

A

R

R

V

L

A

I

I

L

S

I

A
x
D

R
|
R

S

E

R
x
A

D

A

E

A

G

L

E
x
D

K

R

A

A

V

A

R

Q

Q

E

L

L

R

-

Q

-

K

G

G

A

I

A

E

V

A

A

I

A

Y
x
R

L

I

P

V

A
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A

D
|
D

I
x
V

S

T

N

D

E

A

S

E

A

A

A

M

Q

T

Q

A

V

A

R

A

Q

E

A

A

A

E

A

A

E

V

L

A

G

P

G

-

L

V

D

S

I

I

L

L

V

V

N

N

N
x
S

A
|
A

G

G

I

I

A

A

R

R

H

L

C

H

D

D

S

A

L

L

K

E

L

T

E

D

P

D

E

A

T

T

W

W

D

R

E

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V

V

I

M

N

A

T

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N

N

L

V

T

D

G

G

L

M

F

F

W

W

C

A

C

S

R

R

A

A

A

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I

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E

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T

A

M

M

S

V

A

A

A

R

G

G

R

A

G

G

S

A

I

I

V

V

N

N

I
x
L

G

G

S
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S

I

M

S
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S

G

G

Y

T

I

I

S

V

N

N

L

R

P

P

Q

Q

N

F

Q

A

V

S

A

S

Y
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Y

N

M

A

A

S

S

K
|
K

A

G

G

A

V

V

H

H

M

Q

L

L

T

T

K

R

S

A

L

L

A

A

G

A

E

E

F

W

A

A

K

G

S

R

N

G

I

V

R

R

I

V

N

N

A

A

V

L

A

A

P
|
P

G

G

Y

Y

I
x
V

E

A

T
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T

A

E

M
|
M

T
|
T

Q

L

G

K

G

M

L

R

D

E

D

R

P

P

E

E

W

L

S

F

K

E

I

T

W

W

L

L

G

D

M

M

T

T

P

P

L

M

G

G

R

R

A

C

G

G

K

E

A

P

S

S

E

E

V

I

A

A

V

A

L

L

F

F

L

L

A

A

S

S

D

P

A

A

S

S

Y

Y

I

V

T

T

G

G

S

A

V

I

L

L

T

A

I

V

D

D

G

G

Y

Y

T

T

I

V

active site: G22 (= G21), S144 (= S146), Y159 (= Y161), K163 (= K165)
binding (2S)-pentane-1,2-diol: A45 (≠ R44), D49 (≠ E48), R62 (≠ Y63), S146 (= S148), Y159 (= Y161)
binding nicotinamide-adenine-dinucleotide: G18 (= G17), S21 (≠ R20), G22 (= G21), I23 (= I22), D42 (≠ A41), R43 (= R42), A65 (= A66), D66 (= D67), V67 (≠ I68), S92 (≠ N94), A93 (= A95), L142 (≠ I144), S144 (= S146), Y159 (= Y161), K163 (= K165), P189 (= P191), V192 (≠ I194), T194 (= T196), M196 (= M198), T197 (= T199)

C0KTJ6 Galactitol 2-dehydrogenase (L-tagatose-forming); Galactitol dehydrogenase; GDH; GatDH; Galactitol:NAD(+) 5-oxidoreductase; EC 1.1.1.406 from Cereibacter sphaeroides (Rhodobacter sphaeroides) (see paper)
45% identity, 99% coverage: 2:255/256 of query aligns to 3:253/254 of C0KTJ6

query
sites
C0KTJ6

Y

Y

A

R

E

T

L

V

F

F

R

R

L

L

N

D

G

G

R

A

A

C

A

A

F

A

V

V

T

T

G

G

G

A

S

G

R
x
S

G
|
G

I
|
I

G

G

F

L

A

E

C

I

A

C

E

R

A

A

L

F

G

A

E

A

A

S

G

G

A

A

R

R

V

L

A

I

I

L

S

I

A
x
D

R

R

S

E

R

A

D

A

E

A

G

L

E

D

K

R

A

A

V

A

R

Q

Q

E

L

L

R

-

Q

-

K

G

G

A

I

A

E

V

A

A

I

A

Y

R

L

I

P

V

A

A

D
|
D

I
x
V

S

T

N

D

E

A

S

E

A

A

A

M

Q

T

Q

A

V

A

R

A

Q

E

A

A

A

E

A

A

E

V

L

A

G

P

G

-

L

V

D

S

I

I

L

L

V

V

N

N

N

S

A

A

G

G

I

I

A

A

R

R

H

L

C

H

D

D

S

A

L

L

K

E

L

T

E

D

P

D

E

A

T

T

W

W

D

R

E

Q

V

V

I

M

N

A

T

V

N

N

L

V

T

D

G

G

L

M

F

F

W

W

C

A

C

S

R

R

A

A

A

F

I

G

E

R

T

A

M

M

S

V

A

A

A

R

G

G

R

A

G

G

S

A

I

I

V

V

N

N

I

L

G

G

S

S

I

M

S

S

G

G

Y

T

I

I

S

V

N

N

L

R

P

P

Q

Q

N

F

Q

A

V

S

A

S

Y
|
Y

N

M

A

A

S

S

K
|
K

A

G

G

A

V

V

H

H

M

Q

L

L

T

T

K

R

S

A

L

L

A

A

G

A

E

E

F

W

A

A

K

G

S

R

N

G

I

V

R

R

I

V

N

N

A

A

V

L

A

A

P

P

G

G

Y

Y

I
x
V

E
x
A

T
|
T

A

E

M

M

T

T

Q

L

G

K

G

M

L

R

D

E

D

R

P

P

E

E

W

L

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F

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E

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W

W

L

L

G

D

M

M

T

T

P

P

L

M

G

G

R

R

A

C

G

G

K

E

A

P

S

S

E

E

V

I

A

A

V

A

L

L

F

F

L

L

A

A

S

S

D

P

A

A

S

S

Y

Y

I

V

T

T

G

G

S

A

V

I

L

L

T

A

I

V

D

D

G

G

Y

Y

T

T

I

V

SGI 21:23 (≠ RGI 20:22) binding
D42 (≠ A41) binding
DV 66:67 (≠ DI 67:68) binding
Y159 (= Y161) binding
K163 (= K165) binding
VAT 192:194 (≠ IET 194:196) binding

Sites not aligning to the query:

254 binding

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
39% identity, 98% coverage: 5:254/256 of query aligns to 1:250/252 of 1vl8B

query
sites
1vl8B

L

V

F

F

R

D

L

L

N

R

G

G

R

R

A

V

A

A

F

L

V

V

T

T

G
|
G

G

G

S

S

R
|
R

G
|
G

I
x
L

G

G

F

F

A

G

C

I

A

A

E

Q

A

G

L

L

G

A

E

E

A

A

G

G

A

C

R

S

V

V

A

V

I

V

S

A

A
x
S

R
|
R

S

N

R

L

D

E

E

E

G

A

E

S

K

E

A

A

V

A

R

Q

Q

K

L

L

R

T

Q

E

K

K

-

Y

G

G

I

V

E

E

A

T

I

M

Y

A

L

F

P

R

A
x
C

D
|
D

I
x
V

S

S

N

N

E

Y

S

E

A

E

A

V

Q

K

V

L

R

E

Q

A

A

V

A

K

A

E

E

K

L

F

G

G

G

K

L

L

D

D

I

T

L

V

V

V

N

N

N
x
A

A
|
A

G
|
G

I
|
I

A

N

R

R

H

R

C

H

D

P

S

A

L

E

K

E

L

F

E

P

P

L

E

D

T

E

W

F

D

R

E

Q

V

V

I

I

N

E

T
x
V

N

N

L

L

T

F

G

G

L

T

F

Y

W

Y

C

V

C

C

R

R

A

E

A

A

I

F

E

S

T

L

M

L

S

R

A

E

A

S

G

D

R

N

G

P

S

S

I

I

V

I

N

N

I
|
I

G

G

S
|
S

I

L

S

T

G

V

Y

E

I

E

S

V

N

T

L

M

P

P

Q

-

N

N

Q
x
I

V

S

A

A

Y
|
Y

N

A

A

A

S

S

K
|
K

A

G

G

G

V

V

H

A

M

S

L

L

T

T

K

K

S

A

L

L

A

A

G

K

E

E

F

W

A

G

K

R

S

Y

N

G

I

I

R

R

I

V

N

N

A

V

V

I

A

A

P
|
P

G
|
G

Y

W

I
x
Y

E

R

T
|
T

A

K

M
|
M

T
|
T

Q

E

G

A

G

V

L

F

D

S

D

D

P

P

E

E

W

K

S

L

K

D

I

Y

W

M

L

L

G

K

M

R

T

I

P

P

L

L

G

G

R

R

A

T

G

G

K

V

A

P

S

E

E

D

V

L

A

K

A

G

A

V

V

A

L

V

F

F

L

L

A

A

S

S

D

E

A

E

A

A

S

K

Y

Y

I

V

T

T

G

G

S

Q

V

I

L

I

T

F

I

V

D

D

G

G

Y

W

T

T

active site: G17 (= G21), S143 (= S146), I154 (≠ Q158), Y157 (= Y161), K161 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G17), R16 (= R20), G17 (= G21), L18 (≠ I22), S37 (≠ A41), R38 (= R42), C63 (≠ A66), D64 (= D67), V65 (≠ I68), A91 (≠ N94), A92 (= A95), G93 (= G96), I94 (= I97), V114 (≠ T117), I141 (= I144), S143 (= S146), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), Y190 (≠ I194), T192 (= T196), M194 (= M198), T195 (= T199)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
39% identity, 98% coverage: 5:254/256 of query aligns to 2:253/255 of 5itvA

query
sites
5itvA

L

I

F

M

R

N

L

L

N

T

G

D

R

K

A

T

A

V

F

L

V

I

T

T

G
|
G

G

G

S

A

R
x
S

G
|
G

I
|
I

G

G

F

Y

A

A

C

A

A

V

E

Q

A

A

L

F

G

L

E

G

A

Q

G

Q

A

A

R

N

V

V

A

V

I

V

S

A

A
x
D

R
x
I

S

D

R

E

D

A

E

Q

G

G

E

E

K

A

A

M

V

V

R

R

Q

K

L

E

R

N

Q

N

K

D

G

R

I

L

E

H

A

-

I

-

Y

F

L

V

P

Q

A
x
T

D

D

I
|
I

S

T

N

D

E

E

S

A

A

A

A

C

Q

Q

Q

H

V

A

V

V

R

E

Q

S

A

A

A

V

A

H

E

T

L

F

G

G

L

L

D

D

I

V

L

L

V

I

N

N

N
|
N

A

A

G
|
G

I

I

A

E

R

I

H

V

C

A

D

P

S

I

L

H

K

E

L

M

E

E

P

L

E

S

T

D

W

W

D

N

E

K

V

V

I

L

N

Q

T

V

N

N

L

L

T

T

G

G

L

M

F

F

W

L

C

M

C

S

R

K

A

H

A

A

I

L

E

K

T

H

M

M

S

L

A

A

G

G

R

K

G

G

S

N

I

I

V

I

N

N

I
x
T

G

C

S
|
S

I

V

S

G

G

G

Y

L

I

V

S

A

-

W

-

P

N

D

L

I

P

P

Q

-

N

-

Q

-

V

-

A

A

Y
|
Y

N

N

A

A

S

S

K
|
K

A

G

G

G

V

V

H

L

M

Q

L

L

T

T

K

K

S

S

L

M

A

A

G

V

E

D

F

Y

A

A

K

K

S

H

N

Q

I

I

R

R

I

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

Y
x
I

I
|
I

E

D

T

T

A

P

M

L

T

N

Q

E

G

K

G

S

L

F

D

L

D

E

-

N

-

E

-

G

-

T

-

L

P

E

E

E

W

I

S

K

K

K

I

E

W

K

L

A

G

K

M

V

T

N

P

P

L

L

G

L

R

R

A

L

G

G

K

K

A

P

S

E

E

E

V

I

A

A

A

N

A

V

V

M

L

L

F

F

L

L

A

A

S

S

D

D

A

L

A

S

S

S

Y

Y

I

M

T

T

G

G

S

S

V

A

L

I

T

T

I

A

D

D

G

G

Y

Y

T

T

active site: G18 (= G21), S141 (= S146), Y154 (= Y161), K158 (= K165)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G17), S17 (≠ R20), G18 (= G21), I19 (= I22), D38 (≠ A41), I39 (≠ R42), T61 (≠ A66), I63 (= I68), N89 (= N94), G91 (= G96), T139 (≠ I144), S141 (= S146), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), I186 (≠ Y193), I187 (= I194)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
44% identity, 94% coverage: 15:255/256 of query aligns to 6:244/244 of 1edoA

query
sites
1edoA

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

F

K

A

A

C

I

A

A

E

L

A

S

L

L

G

G

E

K

A

A

G

G

A

C

R

K

V

V

A

L

I

V

S
x
N

-
x
Y

A
|
A

R
|
R

S
|
S

R

A

D

K

E

A

G

A

E

E

K

E

A

V

V

S

R

K

Q

Q

L

I

R

E

Q

A

K

Y

G

G

I

G

E

Q

A

A

I

I

Y

T

L

F

P

G

A

G

D
|
D

I
x
V

S

S

N

K

E

E

S

A

A

D

A

V

Q

E

Q

A

V

M

R

K

Q

T

A

A

A

I

A

D

E

A

L

W

G

G

G

T

L

I

D

D

I

V

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

T

R

R

H

D

C

T

D

L

S

L

L

I

K

R

L

M

E

K

P

K

E

S

T

Q

W

W

D

D

E

E

V

V

I

I

N

D

T

L

N

N

L

L

T

T

G

G

L

V

F

F

W

L

C

C

C

T

R

Q

A

A

I

T

E

K

T

I

M

M

S

M

A

K

G

R

R

K

G

G

S

R

I

I

V

I

N

N

I

I

G

A

S
|
S

I

V

S

V

G

G

Y

L

I

I

S

G

N

N

L

I

P

-

Q

-

N

G

Q

Q

V

A

A

N

Y
|
Y

N

A

A

A

S

A

K
|
K

A

A

G

G

V

V

H

I

M

G

L

F

T

S

K

K

S

T

L

A

A

A

G

R

E

E

F

G

A

A

K

S

S

R

N

N

I

I

R

N

I

V

N

N

A

V

V

V

A

C

P
|
P

G
|
G

Y

F

I
|
I

E

A

T
x
S

A

D

M
|
M

T

T

Q

A

G

K

G

L

L

G

D

E

D

D

P

M

E

E

W

-

S

-

K

K

I

K

W

I

L

L

G

G

M

T

T

I

P

P

L

L

G

G

R

R

A

T

G

G

K

Q

A

P

S

E

E

N

V

V

A

A

A

G

A

L

V

V

L

E

F

F

L

L

A

A

-

L

S

S

D

P

A

A

S

S

Y

Y

I

I

T

T

G

G

S

Q

V

A

L

F

T

T

I

I

D

D

G

G

Y

I

T

A

I

I

active site: G12 (= G21), S138 (= S146), Y151 (= Y161), K155 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G17), S10 (= S19), R11 (= R20), I13 (= I22), N31 (≠ S40), Y32 (vs. gap), A33 (= A41), R34 (= R42), S35 (= S43), D59 (= D67), V60 (≠ I68), N86 (= N94), A87 (= A95), S138 (= S146), Y151 (= Y161), K155 (= K165), P181 (= P191), G182 (= G192), I184 (= I194), S186 (≠ T196), M188 (= M198)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
40% identity, 95% coverage: 11:252/256 of query aligns to 5:243/246 of 3osuA

query
sites
3osuA

R

K

A

S

A

A

F

L

V

V

T

T

G

G

G

A

S

S

R

R

G
|
G

I

I

G

G

F

R

A

S

C

I

A

A

E

L

A

Q

L

L

G

A

E

E

A

E

G

G

A

Y

R

N

V

V

A

A

I

V

S

N

-

Y

A

A

R

G

S

S

R

K

D

E

E

K

G

A

E

E

K

A

A

V

V

V

R

E

Q

E

L

I

R

K

Q

A

K

K

G

G

I

V

E

D

A

S

I

F

Y

A

L

I

P

Q

A

A

D

N

I

V

S

A

N

D

E

A

S

D

A

E

A

V

Q

K

Q

A

V

M

V

I

R

K

Q

E

A

V

A

S

E

Q

L

F

G

G

G

S

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

A

T

R

R

H

D

C

N

D

L

S

L

L

M

K

R

L

M

E

K

P

E

E

Q

T

E

W

W

D

D

E

D

V

V

I

I

N

D

T

T

N

N

L

L

T

K

G

G

L

V

F

F

W

N

C

C

C

I

R

Q

A

K

A

A

I

T

E

P

T

Q

M

M

S

L

A

R

A

Q

G

R

R

S

G

G

S

A

I

I

V

I

N

N

I

L

G

S

S
|
S

I

V

S

V

G

G

Y

A

I

V

S

G

N

N

L

-

P

-

Q

P

N

G

Q
|
Q

V

A

A

N

Y
|
Y

N

V

A

A

S

T

K
|
K

A

A

G

G

V

V

H

I

M

G

L

L

T

T

K

K

S

S

L

A

A

A

G

R

E

E

F

L

A

A

K

S

S

R

N

G

I

I

R

T

I

V

N

N

A

A

V

V

A

A

P

P

G

G

Y

F

I

I

E

V

T

S

A

D

M

M

T

T

Q

D

G

A

G

L

L

S

D

D

D

-

P

-

E

E

W

L

S

K

K

E

I

Q

W

M

L

L

G

T

M

Q

T

I

P

P

L

L

G

A

R

R

A

F

G

G

K

Q

A

D

S

T

E

D

V

I

A

A

A

N

A

T

V

V

L

A

F

F

L

L

A

A

S

S

D

D

A

K

A

A

S

K

Y

Y

I

I

T

T

G

G

S

Q

V

T

L

I

T

H

I

V

D

N

G

G

active site: G15 (= G21), S141 (= S146), Q151 (= Q158), Y154 (= Y161), K158 (= K165)
binding magnesium ion: N89 (= N94), K158 (= K165)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
39% identity, 95% coverage: 11:252/256 of query aligns to 2:236/239 of 3sj7A

query
sites
3sj7A

R

K

A

S

A

A

F

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

F

R

A

S

C

I

A

A

E

L

A

Q

L

L

G

A

E

E

A

E

G

G

A

Y

R

N

V

V

A

A

I

V

S
x
N

-
x
Y

A
|
A

R
x
G

S
|
S

R

K

D

E

E

K

G

A

E

E

K

A

A

V

V

V

R

E

Q

E

L

I

R

K

Q

A

K

K

G

G

I

V

E

D

A

S

I

F

Y

A

L

I

P

Q

A
|
A

D
x
N

I
x
V

S

A

N

D

E

A

S

D

A

E

A

V

Q

K

Q

A

V

M

V

I

R

K

Q

E

A

V

A

S

E

Q

L

F

G

G

G

S

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

T

R

R

H

D

C

N

D

L

S

L

L

M

K

R

L

M

E

K

P

E

E

Q

T

E

W

W

D

D

E

D

V

V

I

I

N

D

T
|
T

N

N

L

L

T

K

G

G

L

V

F

F

W

N

C

C

C

I

R

Q

A

K

A

A

I

T

E

P

T

Q

M

M

S

L

A

R

A

Q

G

R

R

S

G

G

S

A

I

I

V

I

N

N

I

L

G

S

S
|
S

I

V

S

V

G

G

Y

A

I

V

S

G

N

N

L

-

P

-

Q

P

N

G

Q
|
Q

V

A

A

N

Y
|
Y

N

V

A

A

S

T

K
|
K

A

A

G

G

V

V

H

I

M

G

L

L

T

T

K

K

S

S

L

A

A

A

G

R

E

E

F

L

A

A

K

S

S

R

N

G

I

I

R

T

I

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

Y

F

I

I

E

V

T

S

A

D

M

M

T

T

Q

D

G

-

L

-

D

-

P

-

E

E

W

L

S

K

K

E

I

Q

W

M

L

L

G

T

M

Q

T

I

P

P

L

L

G

A

R

R

A

F

G

G

K

Q

A

D

S

T

E

D

V

I

A

A

A

N

A

T

V

V

L

A

F

F

L

L

A

A

S

S

D

D

A

K

A

A

S

K

Y

Y

I

I

T

T

G

G

S

Q

V

T

L

I

T

H

I

V

D

N

G

G

active site: G12 (= G21), S138 (= S146), Q148 (= Q158), Y151 (= Y161), K155 (= K165)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G17), S10 (= S19), R11 (= R20), I13 (= I22), N31 (≠ S40), Y32 (vs. gap), A33 (= A41), G34 (≠ R42), S35 (= S43), A58 (= A66), N59 (≠ D67), V60 (≠ I68), N86 (= N94), A87 (= A95), T109 (= T117), S138 (= S146), Y151 (= Y161), K155 (= K165), P181 (= P191), G182 (= G192)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
41% identity, 97% coverage: 8:255/256 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

L

L

N

Q

G

G

R

K

A

V

A

A

F

V

V

V

T

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

F

R

A

D

C

I

A

A

E

I

A

N

L

L

G

A

E

K

A

E

G

G

A

A

R

N

V

I

A

F

I

F

S
x
N

A
x
Y

R
x
N

-
x
G

S
|
S

R

P

D

E

E

A

G

A

E

E

K

E

A

T

V

A

R

K

Q

L

L

V

R

A

Q

E

K

H

G

G

I

V

E

E

A

V

I

E

Y

A

L

M

P

K

A

A

D
x
N

I
x
V

S

A

N

I

E

A

S

E

A

D

A

V

Q

D

Q

A

V

F

R

K

Q

Q

A

A

A

I

A

E

E

R

L

F

G

G

G

R

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

A

T

R

R

H

D

C

N

D

L

S

L

L

M

K

R

L

M

E

K

P

E

E

D

T

E

W

W

D

D

E

D

V

V

I

I

N

N

T
x
I

N

N

L

L

T

K

G

G

L

T

F

F

W

L

C

C

C

T

R

K

A

A

A

V

I

S

E

R

T

T

M

M

S

M

A

K

A

Q

G

R

R

A

G

G

S

K

I

I

V

I

N

N

I

M

G

A

S
|
S

I

V

S

V

G

G

Y

L

I

I

S

G

N

N

L

-

P

-

Q

A

N

G

Q
|
Q

V

A

A

N

Y
|
Y

N

V

A

A

S

S

K
|
K

A

A

G

G

V

V

H

I

M

G

L

L

T

T

K

K

S

T

L

T

A

A

G

R

E

E

F

L

A

A

K

P

S

R

N

G

I

I

R

N

I

V

N

N

A

A

V

V

A

A

P
|
P

G

G

Y

F

I
|
I

E

T

T
|
T

A

D

M

M

T

T

Q

D

G

K

G

L

L

-

D

-

D

D

P

E

E

K

W

T

S

K

K

E

I

A

W

M

L

L

G

A

M

Q

T

I

P

P

L

L

G

G

R

A

A

Y

G

G

K

T

A

T

S

E

E

D

V

I

A

A

A

N

A

A

V

V

L

L

F

F

L

L

A

A

S

S

D

D

A

A

A

S

S

K

Y

Y

I

I

T

T

G

G

S

Q

V

T

L

L

T

S

I

V

D

D

G

G

Y

M

T

V

I

M

active site: G16 (= G21), S142 (= S146), Q152 (= Q158), Y155 (= Y161), K159 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G17), S14 (= S19), R15 (= R20), G16 (= G21), I17 (= I22), N35 (≠ S40), Y36 (≠ A41), N37 (≠ R42), G38 (vs. gap), S39 (= S43), N63 (≠ D67), V64 (≠ I68), N90 (= N94), A91 (= A95), I93 (= I97), I113 (≠ T117), S142 (= S146), Y155 (= Y161), K159 (= K165), P185 (= P191), I188 (= I194), T190 (= T196)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
41% identity, 98% coverage: 6:255/256 of query aligns to 4:247/247 of 7tzpG

query
sites
7tzpG

F

M

R

K

L

L

N

A

G

S

R

K

A

T

A

A

F

I

V

V

T

T

G
|
G

G

A

S

A

R
|
R

G
|
G

I
|
I

G

G

F

F

A

G

C

I

A

A

E

Q

A

V

L

L

G

A

E

R

A

E

G

G

A

A

R

R

V

V

A

I

I

I

S

A

A
x
D

R
|
R

S

D

R

A

D

-

E

H

G

G

E

E

K

A

A

A

V

A

R

A

Q

S

L

L

R

R

Q

E

K

S

G

G

I

A

E

Q

A

A

I

L

Y

F

L

I

P

S

A
x
C

D

N

I
|
I

S

A

N

E

E

K

S

T

A

Q

A

V

Q

E

Q

A

V

L

V

F

R

S

Q

Q

A

A

A

E

E

A

L

F

G

G

G

P

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I
|
I

A

N

R

R

H

D

C

A

D

M

S

L

L

H

K

K

L

L

E

T

P

E

E

A

T

D

W

W

D

D

E

T

V

V

I

I

N

D

T
x
V

N

N

L

L

T

K

G

G

L

T

F

F

W

L

C

C

C

M

R

Q

A

Q

A

A

I

A

E

I

T

R

M

M

S

R

A

E

A

R

G

G

R

A

G

G

S

R

I

I

V

I

N

N

I

I

G

A

S

S

I

A

S

S

G

-

Y

W

I

L

S

G

N

N

L

V

P

G

Q

Q

N

T

Q

N

V

-

A

-

Y
|
Y

N

S

A

A

S

S

K
|
K

A

A

G

G

V

V

H

V

M

G

L

M

T

T

K

K

S

T

L

A

A

C

G

R

E

E

F

L

A

A

K

K

S

K

N

G

I

V

R

T

I

V

N

N

A

A

V

I

A

C

P

P

G

G

Y

F

I
|
I

E

D

T
|
T

A

D

M

M

T
|
T

Q

R

G

-

G

G

L

V

D

P

D

E

P

N

E

V

W

W

S

-

K

Q

I

I

W

M

L

V

G

S

M

K

T

I

P

P

L

A

G

G

R

Y

A

A

G

G

K

E

A

A

S

K

E

D

V

V

A

G

A

E

A

C

V

V

L

A

F

F

L

L

A

A

S

S

D

D

A

G

A

A

S

R

Y

Y

I

I

T

N

G

G

S

E

V

V

L

I

T

N

I

V

D

G

G

G

Y

M

T

V

I

L

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G17), R18 (= R20), G19 (= G21), I20 (= I22), D39 (≠ A41), R40 (= R42), C63 (≠ A66), I65 (= I68), N91 (= N94), G93 (= G96), I94 (= I97), V114 (≠ T117), Y155 (= Y161), K159 (= K165), I188 (= I194), T190 (= T196), T193 (= T199)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
37% identity, 98% coverage: 4:254/256 of query aligns to 10:258/261 of 5u9pB

query
sites
5u9pB

E

D

L

R

F

F

R

R

L

L

N

D

G

G

R

R

A

R

A

A

F

L

V

I

T

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

F

L

A

T

C

L

A

A

E

R

A

G

L

L

G

A

E

E

A

A

G

G

A

A

R

A

V

I

A

V

I

I

S

N

A

D

R
|
R

S

N

R

E

D

E

E

K

G

A

E

A

K

T

A

L

V

A

R

R

Q

R

L

F

R

R

Q

D

K

E

G

G

I

F

E

A

A

A

I

D

Y

H

L

A

P

V

A

F

D
|
D

I
x
V

S

A

N

E

E

H

S

A

A

Q

A

V

Q

R

Q

A

V

A

V

I

R

D

Q

E

A

F

A

E

A

A

E

R

L

V

G

G

G

A

L

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

Q

R

R

H

R

C

A

D

P

S

L

L

D

K

A

L

F

E

E

P

P

E

D

T

D

W

W

D

H

E

A

V

L

I

M

N

R

T

V

N

N

L

L

T

D

G

G

L

V

F

F

W

N

C

V

C

A

R

Q

A

A

A

V

I

A

E

R

T

H

M

M

S

I

A

A

A

R

G

G

R

H

G

G

S

K

I

I

V

I

N

N

I
|
I

G

C

S
|
S

I

V

S

Q

G

-

Y

-

I

-

S

S

N

E

L

L

P

A

Q

R

N

P

Q

T

V

I

A

A

-

P

Y
|
Y

N

A

A

A

S

T

K
|
K

A

G

G

A

V

V

H

R

M

M

L

L

T

T

K

K

S

G

L

M

A

C

G

A

E

D

F

W

A

A

K

R

S

Y

N

G

I

I

R

Q

I

A

N

N

A

G

V

L

A

A

P
|
P

G

G

Y

Y

I
x
F

E

E

T
|
T

A

E

M
x
L

T
x
N

Q

R

G

A

G

L

L

V

D

D

P

A

E

A

W

F

S

S

K

D

I

W

W

L

L

C

G

K

M

R

T

T

P

P

L

A

G

G

R

R

A

W

G

G

K

Q

A

V

S

D

E

E

V

L

A

C

A

G

A

A

V

A

L

I

F

F

L

L

A

A

S

S

D

A

A

A

A

S

S

D

Y

F

I

V

T

N

G

G

S

Q

V

T

L

L

T

F

I

V

D

D

G

G

Y

L

T

T

active site: G27 (= G21), S152 (= S146), Y165 (= Y161), K169 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G17), R26 (= R20), G27 (= G21), I28 (= I22), R48 (= R42), D73 (= D67), V74 (≠ I68), N100 (= N94), A101 (= A95), I150 (= I144), Y165 (= Y161), K169 (= K165), P195 (= P191), F198 (≠ I194), T200 (= T196), L202 (≠ M198), N203 (≠ T199)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
40% identity, 98% coverage: 3:252/256 of query aligns to 1:243/247 of 3op4A

query
sites
3op4A

A

S

E

Q

L

F

F

M

R

N

L

L

N

E

G

G

R

K

A

V

A

A

F

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G

G

I
|
I

G

G

F

K

A

A

C

I

A

A

E

E

A

L

L

L

G

A

E

E

A

R

G

G

A

A

R

K

V

V

A

-

I

I

S

G

A

T

R

A

S
x
T

R

S

D

E

E

S

G

G

E

A

K

Q

A

A

V

I

R

S

Q

D

L

Y

R

L

Q

G

K

D

G

N

I

G

E

K

A

G

I

M

Y

A

L

L

P

-

A

-

D
x
N

I
x
V

S

T

N

N

E

P

S

E

A

S

A

I

Q

E

Q

A

V

V

V

L

R

K

Q

A

A

I

A

T

A

D

E

E

L

F

G

G

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

A

T

R

R

H

D

C

N

D

L

S

L

L

M

K

R

L

M

E

K

P

E

E

E

T

E

W

W

D

S

E

D

V

I

I

M

N

E

T

T

N

N

L

L

T

T

G

S

L

I

F

F

W

R

C

L

C

S

R

K

A

A

A

V

I

L

E

R

T

G

M

M

S

M

A

K

G

R

R

Q

G

G

S

R

I

I

V

I

N

N

I
x
V

G

G

S
|
S

I

V

S

V

G

G

Y

T

I

M

S

G

N

N

L

-

P

-

Q

A

N

G

Q

Q

V

A

A

N

Y
|
Y

N

A

A

A

S

A

K
|
K

A

A

G

G

V

V

H

I

M

G

L

F

T

T

K

K

S

S

L

M

A

A

G

R

E

E

F

V

A

A

K

S

S

R

N

G

I

V

R

T

I

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

Y

F

I
|
I

E

E

T
|
T

A

D

M
|
M

T

T

Q

K

G

-

G

A

L

L

D

N

D

D

P

-

E

E

W

Q

S

R

K

T

I

A

W

T

L

L

G

A

M

Q

T

V

P

P

L

A

G

G

R

R

A

L

G

G

K

D

A

P

S

R

E

E

V

I

A

A

A

S

A

A

V

V

L

A

F

F

L

L

A

A

S

S

D

P

A

E

A

A

S

A

Y

Y

I

I

T

T

G

G

S

E

V

T

L

L

T

H

I

V

D

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), S17 (= S19), R18 (= R20), I20 (= I22), T40 (≠ S43), N62 (≠ D67), V63 (≠ I68), N89 (= N94), A90 (= A95), I92 (= I97), V139 (≠ I144), S141 (= S146), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), I187 (= I194), T189 (= T196), M191 (= M198)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
40% identity, 98% coverage: 1:252/256 of query aligns to 3:250/254 of 4ag3A

query
sites
4ag3A

M

L

Y

Y

A

F

E

Q

L

S

F

M

R

S

L

L

N

Q

G

G

R

K

A

V

A

A

F

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

F

Q

A

A

C

I

A

A

E

L

A

E

L

L

G

G

E

R

A

L

G

G

A

A

R

V

V

V

A

I

I

G

S

T

A

A

R
x
T

S

S

R

A

D

S

E

G

G

A

E

E

K

K

A

I

V

A

R

E

Q

T

L

L

R

K

Q

A

K

N

G

G

I

V

E

E

A

G

I

A

Y

G

L

L

P

V

A
x
L

D
|
D

I
x
V

S

S

N

S

E

D

S

E

A

S

A

V

Q

A

V

T

V

L

R

E

Q

H

A

I

A

Q

E

H

L

L

G

G

G

Q

L

P

D

L

I

I

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

T

R

R

H

D

C

N

D

L

S

L

L

V

K

R

L

M

E

K

P

D

E

D

T

E

W

W

D

F

E

D

V

V

I

V

N

N

T

T

N

N

L

L

T

N

G

S

L

L

F

Y

W

R

C

L

C

S

R

K

A

A

A

V

I

L

E

R

T

G

M

M

S

T

A

K

A

A

G

R

R

W

G

G

S

R

I

I

V

I

N

N

I
|
I

G

G

S
|
S

I

V

S

V

G

G

Y

A

I

M

S

G

N

N

L

A

P

G

Q

Q

N

T

Q

N

V

-

A

-

Y
|
Y

N

A

A

A

S

A

K
|
K

A

A

G

G

V

L

H

E

M

G

L

F

T

T

K

R

S

A

L

L

A

A

G

R

E

E

F

V

A

G

K

S

S

R

N

A

I

I

R

T

I

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

Y
x
F

I
|
I

E

D

T
|
T

A

D

M
|
M

T
|
T

Q

R

G

-

L

-

D

E

D

L

P

P

E

E

W

A

S

Q

K

R

-

E

I

A

W

L

L

L

G

G

M

Q

T

I

P

P

L

L

G

G

R

R

A

L

G

G

K

Q

A

A

S

E

E

E

V

I

A

A

A

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

S

A

Y

Y

I

V

T

T

G

G

S

A

V

T

L

V

T

P

I

V

D

N

G

G

active site: G23 (= G21), S148 (= S146), Y161 (= Y161), K165 (= K165)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G17), S21 (= S19), R22 (= R20), G23 (= G21), I24 (= I22), T44 (≠ R42), L68 (≠ A66), D69 (= D67), V70 (≠ I68), N96 (= N94), A97 (= A95), I146 (= I144), S148 (= S146), Y161 (= Y161), K165 (= K165), P191 (= P191), G192 (= G192), F193 (≠ Y193), I194 (= I194), T196 (= T196), M198 (= M198), T199 (= T199)

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
38% identity, 98% coverage: 5:254/256 of query aligns to 2:225/227 of 5itvD

query
sites
5itvD

L

I

F

M

R

N

L

L

N

T

G

D

R

K

A

T

A

V

F

L

V

I

T

T

G
|
G

G

G

S

A

R
x
S

G
|
G

I
|
I

G

G

F

Y

A

A

C

A

A

V

E

Q

A

A

L

F

G

L

E

G

A

Q

G

Q

A

A

R

N

V

V

A

V

I

V

S

A

A
x
D

R
x
I

S

D

R

E

D

A

E

Q

G

G

E

E

K

A

A

M

V

V

R

R

Q

K

L

E

R

N

Q

N

K

D

G

R

I

L

E

H

A

-

I

-

Y

F

L

V

P

Q

A
x
T

D
|
D

I
|
I

S

T

N

D

E

E

S

A

A

A

A

C

Q

Q

Q

H

V

A

V

V

R

E

Q

S

A

A

A

V

A

H

E

T

L

F

G

G

L

L

D

D

I

V

L

L

V

I

N

N

N
|
N

A

A

G

G

I

I

A

E

R

I

H

V

C

A

D

P

S

I

L

H

K

E

L

M

E

E

P

L

E

S

T

D

W

W

D

N

E

K

V

V

I

L

N

Q

T

V

N

N

L

L

T

T

G

G

L

M

F

F

W

L

C

M

C

S

R

K

A

H

A

A

I

L

E

K

T

H

M

M

S

L

A

A

G

G

R

K

G

G

S

N

I

I

V

I

N

N

I
x
T

G

C

S
|
S

I

V

S

G

G

G

Y

L

I

V

S

A

-

W

-

P

N

D

L

I

P

P

Q

-

N

-

Q

-

V

-

A

A

Y
|
Y

N

N

A

A

S

S

K
|
K

A

G

G

G

V

V

H

L

M

Q

L

L

T

T

K

K

S

S

L

M

A

A

G

V

E

D

F

Y

A

A

K

K

S

H

N

Q

I

I

R

R

I

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

Y

I

I
|
I

E

D

T

T

A

L

M

-

T

-

Q

-

G

-

L

-

D

-

P

-

E

-

W

-

S

-

K

-

I

-

W

-

L

-

G

-

M

-

T

-

P

-

L

-

G

-

R

R

A

L

G

G

K

K

A

P

S

E

E

E

V

I

A

A

A

N

A

V

V

M

L

L

F

F

L

L

A

A

S

S

D

D

A

L

A

S

S

S

Y

Y

I

M

T

T

G

G

S

S

V

A

L

I

T

T

I

A

D

D

G

G

Y

Y

T

T

active site: G18 (= G21), S141 (= S146), Y154 (= Y161), K158 (= K165)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G17), S17 (≠ R20), G18 (= G21), I19 (= I22), D38 (≠ A41), I39 (≠ R42), T61 (≠ A66), D62 (= D67), I63 (= I68), N89 (= N94), T139 (≠ I144), S141 (= S146), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), I187 (= I194)

7vyqA Short chain dehydrogenase (scr) cryoem structure with NADP and ethyl 4-chloroacetoacetate (see paper)
38% identity, 98% coverage: 4:254/256 of query aligns to 29:278/280 of 7vyqA

query
sites
7vyqA

E

D

L

L

F

F

R

S

L

L

N

K

G

G

R

K

A

V

A

A

F

S

V

V

T

T

G
|
G

G

S

S
|
S

R
x
G

G
|
G

I
|
I

G

G

F

W

A

A

C

V

A

A

E

E

A

A

L

Y

G

A

E

Q

A

A

G

G

A

A

R

D

V

V

A

A

I

I

S

W

A

Y

R
x
N

S

S

R
x
H

D

P

E

A

G

D

E

E

K

K

A

A

V

E

R

H

Q

L

L

Q

R

K

Q

T

K

Y

G

G

I

V

E

H

A

S

I

K

Y

A

L

Y

P

K

A

C

D

N

I
|
I

S

S

N

D

E

P

S

K

A

S

A

V

Q

E

V

T

V

I

R

S

Q

Q

A

Q

A

E

A

K

E

D

L

F

G

G

G

T

L

I

D

D

I

V

L

F

V

V

N

A

N
|
N

A
|
A

G
|
G

I

V

A
x
T

-

W

R

T

H

Q

C

G

D

P

S

E

L

I

K

D

L

V

E

D

P

N

-

Y

E

D

T

S

W

W

D

N

E

K

V

I

I

I

N

S

T
x
V

N

D

L

L

T

N

G

G

L

V

F

Y

W

Y

C

C

C

S

R

H

A

N

A

I

I

G

E

K

T

I

M

F

S

K

A

K

A

N

G

G

R

K

G

G

S

S

I

L

V

I

N

I

I

T

G

S

S
|
S

I

I

S

S

G

G

Y

K

I

I

S

V

N

N

L

I

P

P

Q
|
Q

N

L

Q

Q

V

A

A

P

Y
|
Y

N

N

A

T

S

A

K
|
K

A

A

G

A

V

C

H

T

M

H

L

L

T

A

K

K

S

S

L

L

A

A

G

I

E

E

F

W

A

A

K

P

S

F

N

-

I

A

R

R

I

V

N

N

A

T

V

I

A

S

P
|
P

G
|
G

Y
|
Y

I
|
I

E

D

T
|
T

A

D

M
x
I

T
|
T

Q

D

G
x
F

G

A

L

S

D

K

D

D

P

M

E

K

W

-

S

-

K

A

I

K

W
|
W

L

W

G

Q

M

L

T

T

P

P

L

L

G

G

R

R

A

E

G

G

K

L

A

T

S

Q

E

E

V

L

A

V

A

G

V

Y

L

L

F

Y

L

L

A

A

S

S

D

N

A

A

A

S

S

T

Y

F

I

T

T

T

G

G

S

S

V

D

L

V

T

V

I

I

D

D

G

G

Y

Y

T

T

binding ethyl 4-chloranyl-3-oxidanylidene-butanoate: T123 (≠ A98), S173 (= S146), Q183 (= Q156), Y219 (= Y193), F227 (≠ G201), W236 (= W212)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G42 (= G17), S44 (= S19), G45 (≠ R20), G46 (= G21), I47 (= I22), N67 (≠ R42), H69 (≠ R44), I93 (= I68),