SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_066328829.1 NCBI__GCF_900100165.1:WP_066328829.1 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)

4qecA Elxo with NADP bound (see paper)
52% identity, 99% coverage: 1:245/248 of query aligns to 1:245/248 of 4qecA

query
sites
4qecA

M

M

K

K

T

N

V

V

I

L

I

I

T

T

G

G

T

F

T
x
K

G
|
G

I
|
I

G

G

K

K

A

Q

T

V

A

A

L

L

H

E

F

F

A

L

K

K

N

N

G

D

Y

Y

N

H

V

V

V

C

I

I

T

T

S
|
S

R
|
R

N

Y

A

F

D

E

K
|
K

E

E

A

K

S

R

V

I

I

P

A

H

D

L

F

F

K

S

Q

S

N

Y

G

E

A

E

D

N

I

I

T

S

F

F

L

Y

P

Q

L

L

D
|
D

V
|
V

T

T

N

D

E

E

Q

Q

V

V

K

N

S

E

V

I

I

I

E

N

T

K

T

I

V

V

K

K

F

F

G

G

K

R

L

L

D

D

S

V

I

L

V

V

N

N

N
|
N

S
x
A

G
|
G

I

I

S

S

L

L

G

S

N

D

A

G

V

L

L

L

A

T

E

E

T

T

E

K

S

T

N

T

D

D

L

F

K

N

Q

K

M

M

L

I

E

N

T

T

N
|
N

V

I

M

L

G

G

V

T

Y

Y

Y

F

G

C

M

M

K

K

Y

Y

A

A

I

L

I

K

E

H

M

M

L

Q

K

K

T

V

G

S

G

C

G

G

T

A

I

I

V

V

N

N

L
x
I

A

S

S
|
S

I

I

A

T

G

G

L

L

N

S

G

G

L

F

Y

P

A

Y

T

S

A

I

Q

L

Y
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Y

N

G

A

S

S

T

K
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K

H

H

A

A

V

V

V

I

G

G

L

L

T

T

K

K

G

G

A

A

S

A

I

V

D

E

Y

F

A

A

Q

D

Q

K

G

G

I

I

R

K

V

I

N

N

A

A

V

V

A

A

P
|
P

G

G

A

I

I
|
I

K

K

T

T

D

E

I

T

L

L

K

Q

N

K

A

E

I

I

A

D

S

S

G

G

T

E

Y

F

D

S

V

E

S

D

S

S

I

I

E

S

A

S

I

I

H

H

P

P

M

M

N

Q

R

K

L

L

G

G

E

T

V

T

E

L

D

D

I

V

A

A

K

K

A

G

I

I

Y

Y

F

F

L

L

A

A

S

N

D

E

E

D

N

N

T

N

F

F

M

I

T

T

G

G

T

H

I

V

L

L

N

S

I

I

D

D

G

G

Y

Y

active site: G13 (= G13), N111 (= N111), S139 (= S139), Y152 (= Y152), K156 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K12 (≠ T12), G13 (= G13), I14 (= I14), S33 (= S33), R34 (= R34), K38 (= K38), D59 (= D59), V60 (= V60), N86 (= N86), A87 (≠ S87), G88 (= G88), I137 (≠ L137), Y152 (= Y152), K156 (= K156), P182 (= P182), I185 (= I185)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
38% identity, 99% coverage: 3:247/248 of query aligns to 6:247/248 of 6ixmC

query
sites
6ixmC

K

K

T

V

V

A

I

L

I

V

T

T

G
|
G

G

A

T

G

T
x
S

G
|
G

I
|
I

G

G

K

L

A

A

T

V

A

A

L

H

H

S

F

Y

A

A

K

K

N

E

G

G

Y

A

N

K

V

V

V

I

I

V

T

S

S
x
D

R
x
I

N

N

A

E

D

D

K

H

E

G

A

N

S

K

V

A

I

V

A

E

D

D

F

I

K

K

Q

A

N

Q

G

G

A

G

D

E

I

A

T

S

F

F

L

V

P

K

L
x
A

D
|
D

V
x
T

T

S

N

N

E

P

E

E

Q

E

V

V

K

E

S

A

V

L

I

V

E

K

T

R

T

T

V

V

K

E

K

I

F

Y

G

G

K

R

L

L

D

D

S

I

I

A

V

C

N

N

N
|
N

S
x
A

G

G

I

I

S

G

L

G

G

E

N

Q

A

A

V

L

L

A

A

G

E

D

T

Y

E

G

S

L

N

D

D

S

L

W

K

R

Q

K

M

V

L

L

E

S

T

I

N

N

V

L

M

D

G

G

V

V

Y

F

Y

Y

G

G

M

C

K

K

Y

Y

A

E

I

L

I

E

E

Q

M

M

L

E

K

K

T

N

G

G

T

V

I

I

V

V

N

N

L
x
M

A

A

S
|
S

I

I

A

H

G

G

L

I

N

V

G

A

L

A

Y

P

A

L

T

S

A

S

Q

A

Y
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Y

N

T

A

S

S

A

K
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K

H

H

A

A

V

V

G

G

L

L

T

T

K

K

G

N

A

I

S

G

I

A

D

E

Y

Y

A

G

Q

Q

Q

K

G

N

I

I

R

R

V

C

N

N

A

A

V

V

A

G

P
|
P

G
x
A

A
x
Y

I
|
I

K

E

T

T

D

P

I
x
L

L

L

K

E

N

S

A

L

I

T

A

K

S

E

G

M

T

K

Y

-

D

-

V

-

S

E

S

A

I

L

E

I

A

S

I

K

H

H

P

P

M

M

N

G

R

R

L

L

G

G

E

K

V

P

E

E

D

E

I

V

A

A

K

E

A

L

I

V

Y

L

F

F

L

L

A

S

S

S

D

E

E

K

N

S

T

S

F

F

M

M

T

T

G

G

T

G

I

Y

L

Y

N

L

I

V

D

D

G

G

Y

Y

N

T

A

A

active site: G16 (= G13), S142 (= S139), Y155 (= Y152), K159 (= K156)
binding nicotinamide-adenine-dinucleotide: G12 (= G9), S15 (≠ T12), G16 (= G13), I17 (= I14), D36 (≠ S33), I37 (≠ R34), A61 (≠ L58), D62 (= D59), T63 (≠ V60), N89 (= N86), A90 (≠ S87), M140 (≠ L137), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), A186 (≠ G183), Y187 (≠ A184), I188 (= I185), L192 (≠ I189)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
41% identity, 99% coverage: 3:247/248 of query aligns to 6:250/251 of 7djsD

query
sites
7djsD

K

Q

T

V

V

A

I

L

I

V

T

T

G
|
G

G

G

T

A

G
|
G

I
|
I

G

G

K

R

A

A

T

T

A

A

L

Q

H

A

F

F

A

A

K

A

N

A

G

G

Y

V

N

K

V

V

I

V

T

A

S
x
D

R
x
L

N

D

A

S

D

A

K

G

E

G

A

E

S

G

V

T

I

V

A

E

D

A

F

I

K

R

Q

Q

N

A

G

G

A

G

D

E

I

A

T

V

F

F

L

I

P

R

L
x
C

D
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D

V
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V

T

T

N

R

E

D

E

A

Q

E

V

V

K

K

S

A

V

L

I

V

E

E

T

G

T

C

V

A

K

A

F

Y

G

G

K

R

L

L

D

D

S

Y

I

A

V

F

N

N

N
|
N

S
x
A

G

G

I

I

S

E

L

I

G

E

N

Q

A

G

V

K

L

L

A

A

E

D

T

G

E

N

S

E

N

A

D

E

L

F

K

D

Q

A

M

I

L

M

E

A

T

V

N

N

V

V

M

K

G

G

V

V

Y

W

Y

L

G

C

M

M

K

K

Y

H

A

Q

I

I

I

P

E

L

M

M

L

L

K

A

T

Q

G

G

T

A

I

I

V

V

N

N

L
x
T

A

A

S
|
S

I

V

A

A

G

G

L

L

N

G

G

A

L

A

Y

P

A

K

T

M

A

S

Q

I

Y
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Y

N

A

A

A

S

S

K
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K

H

H

A

A

V

V

V

I

G

G

L

L

T

T

K

K

G

S

A

A

S

A

I

I

D

E

Y

Y

A

A

Q

K

G

G

I

I

R

R

V

V

N

N

A

A

V

V

A

C

P

P

G
x
A

A
x
V

I

I

K

D

T

T

D

D

I

M

L

F

K

R

N

R

A

A

I

Y

A

E

S

A

G

D

T

P

Y

R

D

K

V

A

S

E

S

F

I

A

E

A

A

A

I

M

H

H

P

P

M

L

N

G

R

R

L

V

G

G

E

R

V

V

E

E

D

E

I

I

A

A

K

A

A

A

I

V

Y

L

F

Y

L

L

A

C

S

S

D

D

E

N

N

A

T

G

F

F

M

T

T

T

G

G

T

I

I

A

L

L

N

P

I

V

D

D

G

G

Y

A

N

T

A

A

binding nicotinamide-adenine-dinucleotide: G12 (= G9), G16 (= G13), I17 (= I14), D36 (≠ S33), L37 (≠ R34), C61 (≠ L58), D62 (= D59), V63 (= V60), N89 (= N86), A90 (≠ S87), T140 (≠ L137), S142 (= S139), Y155 (= Y152), K159 (= K156), A186 (≠ G183), V187 (≠ A184)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
37% identity, 99% coverage: 3:248/248 of query aligns to 6:248/248 of 4urfB

query
sites
4urfB

K

K

T

T

V

A

I

L

I

V

T

T

G
|
G

G

A

T
x
G

T
x
N

G
|
G

I
|
I

G

G

K

R

A

T

T

I

A

A

L

L

H

T

F

Y

A

A

K

A

N

E

G

G

Y

A

N

N

V

V

I

V

T

S

S
x
D

R
x
I

N

S

A

D

D

E

K

W

E

G

A

R

S

E

V

T

I

L

A

A

D

L

F

I

K

E

Q

G

N

K

G

G

A

G

D

K

I

A

T

V

F

F

L

Q

P

H

L

A

D
|
D

V
x
T

T

A

N

H

E

P

E

E

Q

D

V

H

K

D

S

E

V

L

I

I

E

A

T

A

V

K

K

R

K

A

F

F

G

G

K

R

L

L

D

D

S

I

I

A

V

C

N

N

N
|
N

S
x
A

G
|
G

I
|
I

S

S

L
x
G

G

E

N

F

A

T

V

P

L

T

A

A

E

E

T

T

E

T

S

D

N

A

D

Q

L

W

K

Q

Q
x
R

M

V

L

I

E

G

T

I

N

N

V

L

M

S

G

G

V

V

Y

F

Y

Y

G

G

M

V

K

R

Y

A

A

Q

I

I

I

R

E

A

M

M

L

L

K

E

T

T

G

G

T

A

I

I

V

V

N

N

L
x
I

A

S

S
|
S

I

I

A

A

G

G

L

Q

N

I

G

G

L

I

Y

E

A

G

T
x
I

A

T

Q

P

Y
|
Y

N

T

A

A

S

A

K
|
K

H

H

A

G

V

V

G

G

L

L

T

T

K

K

G

T

A

V

S

A

I

W

D

E

Y

Y

A

G

Q

S

Q

K

G

G

I

I

R
|
R

V

I

N

N

A

S

V

V

A

G

P
|
P

G
x
A

A

F

I
|
I

K

N

T
|
T

D

T

I

L

L

V

K

Q

N

N

A

V

I

P

A

L

S

E

G

-

T

-

Y

-

D

T

V

R

S

R

S

Q

I

L

E

E

A

Q

I

M

H

H

P

A

M
x
L

N
x
R

R
|
R

L

L

G

G

E

E

V

T

E

E

D

E

I

V

A

A

K

N

A

L

I

V

Y

A

F

W

L

L

A

S

S
|
S

D

D

E

K

N

A

T

S

F

F

M

V

T

T

G

G

T

S

I

Y

L

Y

N

A

I

V

D

D

G

G

Y

Y

N

L

A

A

K

R

active site: G16 (= G13), S142 (= S139), I152 (≠ T149), Y155 (= Y152), K159 (= K156)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ M210), R211 (≠ N211), R212 (= R212)
binding bicarbonate ion: I92 (= I89), G94 (≠ L91), R109 (≠ Q106), R179 (= R176), S228 (= S228)
binding nicotinamide-adenine-dinucleotide: G12 (= G9), G14 (≠ T11), N15 (≠ T12), G16 (= G13), I17 (= I14), D36 (≠ S33), I37 (≠ R34), D62 (= D59), T63 (≠ V60), N89 (= N86), A90 (≠ S87), G91 (= G88), I140 (≠ L137), Y155 (= Y152), K159 (= K156), P185 (= P182), A186 (≠ G183), I188 (= I185), T190 (= T187)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
37% identity, 99% coverage: 3:248/248 of query aligns to 6:248/248 of 4urfA

query
sites
4urfA

K

K

T

T

V

A

I

L

I

V

T

T

G
|
G

G

A

T
x
G

T
x
N

G
|
G

I
|
I

G

G

K

R

A

T

T

I

A

A

L

L

H

T

F

Y

A

A

K

A

N

E

G

G

Y

A

N

N

V

V

I

V

T

S

S
x
D

R
x
I

N

S

A

D

D

E

K
x
W

E

G

A

R

S

E

V

T

I

L

A

A

D

L

F

I

K

E

Q

G

N

K

G

G

A

G

D

K

I

A

T

V

F

F

L

Q

P

H

L

A

D
|
D

V
x
T

T

A

N

H

E

P

E

E

Q

D

V

H

K

D

S

E

V

L

I

I

E

A

T

A

V

K

K

R

K

A

F

F

G

G

K

R

L

L

D

D

S

I

I

A

V

C

N

N

N
|
N

S
x
A

G
|
G

I
|
I

S
|
S

L
x
G

G
x
E

N

F

A
x
T

V

P

L

T

A

A

E
|
E

T

T

E
x
T

S

D

N

A

D
x
Q

L

W

K

Q

Q
x
R

M

V

L

I

E

G

T

I

N

N

V

L

M

S

G

G

V

V

Y

F

Y

Y

G

G

M

V

K

R

Y

A

A

Q

I

I

I

R

E

A

M

M

L

L

K

E

T

T

G

G

T

A

I

I

V

V

N

N

L
x
I

A

S

S
|
S

I

I

A

A

G

G

L

Q

N

I

G

G

L

I

Y

E

A

G

T
x
I

A

T

Q

P

Y
|
Y

N

T

A

A

S

A

K
|
K

H

H

A

G

V

V

G

G

L

L

T

T

K

K

G

T

A

V

S

A

I

W

D

E

Y

Y

A

G

Q
x
S

Q

K

G
|
G

I

I

R

R

V

I

N

N

A

S

V

V

A

G

P
|
P

G

A

A

F

I
|
I

K

N

T
|
T

D

T

I

L

L

V

K

Q

N

N

A

V

I

P

A

L

S

E

G

-

T

-

Y

-

D

T

V

R

S

R

S

Q

I

L

E

E

A

Q

I

M

H

H

P

A

M

L

N

R

R

R

L

L

G

G

E

E

V

T

E

E

D

E

I

V

A

A

K

N

A

L

I

V

Y

A

F

W

L

L

A

S

S

S

D

D

E

K

N

A

T

S

F

F

M

V

T

T

G

G

T
x
S

I
x
Y

L

Y

N

A

I

V

D

D

G

G

Y

Y

N

L

A

A

K

R

active site: G16 (= G13), S142 (= S139), I152 (≠ T149), Y155 (= Y152), K159 (= K156)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I89), S93 (= S90), G94 (≠ L91), E95 (≠ G92), T97 (≠ A94), E101 (= E98), T103 (≠ E100), Q106 (≠ D103), R109 (≠ Q106), S175 (≠ Q172), G177 (= G174)
binding magnesium ion: S237 (≠ T237), Y238 (≠ I238)
binding nicotinamide-adenine-dinucleotide: G12 (= G9), G14 (≠ T11), N15 (≠ T12), G16 (= G13), I17 (= I14), D36 (≠ S33), I37 (≠ R34), W41 (≠ K38), D62 (= D59), T63 (≠ V60), N89 (= N86), A90 (≠ S87), G91 (= G88), I140 (≠ L137), Y155 (= Y152), K159 (= K156), P185 (= P182), I188 (= I185), T190 (= T187)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
37% identity, 99% coverage: 3:248/248 of query aligns to 6:248/248 of 4ureB

query
sites
4ureB

K

K

T

T

V

A

I

L

I

V

T

T

G

G

G

A

T

G

T
x
N

G
|
G

I
|
I

G

G

K

R

A

T

T

I

A

A

L

L

H

T

F

Y

A

A

K

A

N

E

G

G

Y

A

N

N

V

V

I

V

T

S

S

D

R

I

N

S

A

D

D

E

K

W

E

G

A

R

S

E

V

T

I

L

A

A

D

L

F

I

K

E

Q

G

N

K

G

G

A

G

D

K

I

A

T

V

F

F

L

Q

P

H

L

A

D

D

V

T

T

A

N

H

E

P

E

E

Q

D

V

H

K

D

S

E

V

L

I

I

E

A

T

A

V

K

K

R

K

A

F

F

G

G

K

R

L

L

D

D

S

I

I

A

V

C

N

N

N
|
N

S

A

G
|
G

I

I

S

S

L

G

G

E

N

F

A

T

V

P

L

T

A

A

E

E

T

T

E

T

S

D

N

A

D

Q

L

W

K

Q

Q

R

M

V

L

I

E

G

T

I

N

N

V

L

M

S

G

G

V

V

Y

F

Y

Y

G

G

M

V

K

R

Y

A

A

Q

I

I

I

R

E

A

M

M

L

L

K

E

T

T

G

G

T

A

I

I

V

V

N

N

L

I

A

S

S
|
S

I

I

A

A

G

G

L

Q

N

I

G

G

L

I

Y

E

A

G

T
x
I

A

T

Q

P

Y
|
Y

N

T

A

A

S

A

K
|
K

H

H

A

G

V

V

G

G

L

L

T

T

K

K

G

T

A

V

S

A

I

W

D

E

Y

Y

A

G

Q

S

Q

K

G

G

I

I

R

R

V

I

N

N

A

S

V

V

A

G

P
|
P

G
x
A

A

F

I

I

K

N

T

T

D

T

I

L

L

V

K

Q

N

N

A

V

I

P

A

L

S

E

G

-

T

-

Y

-

D

T

V

R

S

R

S

Q

I

L

E

E

A

Q

I

M

H

H

P

A

M

L

N

R

R

R

L

L

G

G

E

E

V

T

E

E

D

E

I

V

A

A

K

N

A

L

I

V

Y

A

F

W

L

L

A

S

S

S

D

D

E

K

N

A

T

S

F

F

M

V

T

T

G

G

T

S

I

Y

L

Y

N

A

I

V

D

D

G

G

Y

Y

N

L

A

A

K

R

active site: G16 (= G13), S142 (= S139), I152 (≠ T149), Y155 (= Y152), K159 (= K156)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ T12), G16 (= G13), I17 (= I14), N89 (= N86), G91 (= G88), Y155 (= Y152), P185 (= P182), A186 (≠ G183)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme
38% identity, 99% coverage: 3:247/248 of query aligns to 7:248/249 of 8y83A

query
sites
8y83A

K

K

T

V

V

A

I

L

I

V

T

T

G
|
G

G

S

T

G

T
x
S

G
|
G

I
|
I

G

G

K

L

A

A

T

V

A

A

L

L

H

A

F

Y

A

G

K

K

N

E

G

G

Y

A

N

K

V

V

I

I

T

S

S
x
D

R
x
I

N

N

A

E

D

Q

K

A

E

G

A

N

S

E

V

T

I

V

A

K

D

Q

F

I

K

E

Q

S

N

L

G

G

A

G

D

E

I

A

T

V

F

F

L

F

P

K

L
x
A

D
|
D

V
x
S

T

S

N

S

E

P

E

A

Q

D

V

N

K

E

S

A

V

L

I

V

E

G

T

Y

T

A

V

V

K

K

K

T

F

F

G

G

K

R

L

L

D

D

S

I

I

A

V

C

N

N

N
|
N

S

A

G

G

I

I

S

G

L

G

G

E

N

A

A

A

V

L

L

T

A

G

E

D

T

Y

E

S

S

L

N

D

D

G

L

W

K

K

Q

K

M

V

L

I

E

D

T

I

N

N

V

F

M

N

G

G

V

V

Y

F

Y

Y

G

G

M

C

K

K

Y

Y

A

Q

I

I

I

E

E

A

M

M

L

E

K

R

T

N

G

G

T

V

I

I

V

V

N

N

L
x
M

A

A

S

S

I

I

A

H

G

G

L

T

N

V

G

A

L

A

Y

P

A

M

T

S

A

S

Q

A

Y
|
Y

N

T

A

S

S

A

K
|
K

H

H

A

A

V

V

G

G

L

L

T

T

K

K

G

N

A

I

S

G

I

A

D

E

Y

Y

A

G

Q

Q

Q

K

G

N

I

I

R

R

V

C

N

N

A

A

V

V

A

G

P
|
P

G
|
G

A
x
Y

I
|
I

K

D

T

T

D

P

I
x
L

L

L

K

A

N

K

A

-

I

-

A

-

S

-

G

-

T

-

Y

L

D

D

V

K

S

E

S

H

I

I

E

N

A

A

I

L

-

I

-

S

-

K

H

H

P

P

M

I

N

G

R

R

L

L

G

G

E

K

V

A

E

E

D

E

I

V

A

A

K

E

A

L

I

V

Y

L

F

F

L

L

A

S

S

S

D

D

E

K

N

S

T

S

F

F

M

M

T

T

G

G

T

G

I

Y

L

Y

N

L

I

V

D

D

G

G

Y

Y

N

T

A

A

binding nicotinamide-adenine-dinucleotide: G13 (= G9), S16 (≠ T12), G17 (= G13), I18 (= I14), D37 (≠ S33), I38 (≠ R34), A62 (≠ L58), D63 (= D59), S64 (≠ V60), N90 (= N86), M141 (≠ L137), Y156 (= Y152), K160 (= K156), P186 (= P182), G187 (= G183), Y188 (≠ A184), I189 (= I185), L193 (≠ I189)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
38% identity, 99% coverage: 3:248/248 of query aligns to 8:255/255 of 5itvA

query
sites
5itvA

K

K

T

T

V

V

I

L

I

I

T

T

G
|
G

G

G

T

A

T
x
S

G
|
G

I
|
I

G

G

K

Y

A

A

T

A

A

V

L

Q

H

A

F

F

A

L

K

G

N

Q

G

Q

Y

A

N

N

V

V

I

V

T

A

S
x
D

-
x
I

R

D

N

E

A

A

D

Q

K

G

E

E

A

A

S

M

V

V

I

-

A

-

D

-

F

R

K

K

Q

E

N

N

G

N

A

D

D

R

I

L

T

H

F

F

L

V

P

Q

L
x
T

D

D

V
x
I

T

T

N

D

E

E

E

A

Q

A

V

C

K

Q

S

H

V

A

I

V

E

E

T

S

T

A

V

V

K

H

K

T

F

F

G

G

K

G

L

L

D

D

S

V

I

L

V

I

N

N

N
|
N

S

A

G
|
G

I

I

S

E

L

I

G

-

N

V

A

A

V

P

L

I

A

H

E

E

T

M

E

E

S

L

N

S

D

D

L

W

K

N

Q

K

M

V

L

L

E

Q

T

V

N

N

V

L

M

T

G

G

V

M

Y

F

Y

L

G

M

M

S

K

K

Y

H

A

A

I

L

I

K

E

H

M

M

L

L

K

A

T

A

G

G

G

K

G

G

T

N

I

I

V

I

N

N

L
x
T

A

C

S
|
S

I

V

A

G

G

G

L

L

N

V

G

A

L

W

Y

P

A

D

T

I

A

P

Q

A

Y
|
Y

N

N

A

A

S

S

K
|
K

H

G

A

G

V

V

V

L

G

Q

L

L

T

T

K

K

G

S

A

M

S

A

I

V

D

D

Y

Y

A

A

Q

K

Q

H

G

Q

I

I

R

R

V

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

A
x
I

I
|
I

K

D

T

T

D

P

I

L

L

N

K

E

N

K

A

S

I

F

A

L

-

E

-

N

S

E

G

G

T

T

Y

L

D

E

V

E

S

I

S

K

I

K

E

E

-

K

-

A

A

K

I

V

H

N

P

P

M

L

N

L

R

R

L

L

G

G

E

K

V

P

E

E

D

E

I

I

A

A

K

N

A

V

I

M

Y

L

F

F

L

L

A

A

S

S

D

D

E

L

N

S

T

S

F

Y

M

M

T

T

G

G

T

S

I

A

L

I

N

T

I

A

D

D

G

G

Y

Y

N

T

A

A

K

Q

active site: G18 (= G13), S141 (= S139), Y154 (= Y152), K158 (= K156)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G9), S17 (≠ T12), G18 (= G13), I19 (= I14), D38 (≠ S33), I39 (vs. gap), T61 (≠ L58), I63 (≠ V60), N89 (= N86), G91 (= G88), T139 (≠ L137), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), I186 (≠ A184), I187 (= I185)

5h5xC Crystal structure of nadh bound carbonyl reductase from streptomyces coelicolor
39% identity, 99% coverage: 3:247/248 of query aligns to 14:256/257 of 5h5xC

query
sites
5h5xC

K

R

T

T

V

A

I

L

I

V

T

T

G
|
G

G

A

T

A

T
x
S

G
|
G

I
|
I

G

G

K

L

A

A

T

T

A

A

L

R

H

R

F

L

A

G

K

A

N

G

G

G

Y

A

N

R

V

V

I

V

T

A

S
x
D

R
x
F

N

N

A

A

D

E

K

G

E

A

A

E

S

K

V

A

I

A

A

A

D

E

F

L

K

R

Q

A

N

G

G

G

A

V

D

E

I

A

T

A

F

A

L

V

P

E

L
|
L

D
|
D

V

V

T

T

N

R

E

P

E

E

Q

S

V

V

K

E

S

A

V

A

I

V

E

G

T

F

T

A

V

V

K

D

K

T

F

F

G

G

K

S

L

L

D

D

S

L

I

A

V

V

N

N

N
|
N

S
x
A

G

G

I

I

S

G

L

G

G

P

N

S

A

A

V

P

L

T

A

G

E

E

T

Y

E

D

S

V

N

A

D

A

L

Y

K

Q

Q

R

M

V

L

V

E

R

T

T

N

N

V

L

M

D

G

G

V

V

Y

F

Y

Y

G

S

M

M

K

R

Y

Y

A

E

I

L

I

P

E

A

M

I

L

E

K

A

T

A

G

G

-

K

G

G

T

S

I

I

V

V

N

N

L

V

A

A

S
|
S

I

I

A

L

G

G

L

S

N

V

G

G

L

F

Y

A

A

G

T

S

A

P

Q

A

Y
|
Y

N

V

A

A

S

A

K
|
K

H

H

A

G

V

V

G

G

L

L

T

T

K

K

G

A

A

A

S

A

I

A

D

E

Y

Y

A

A

Q

A

Q

R

G

G

I

I

R

R

V

I

N

N

A

A

V

V

A

G

P
|
P

G
|
G

A

F

I
|
I

K

D

T
|
T

D

P

I

L

L

L

K

K

N

T

A

-

I

M

A

E

S

E

G

A

T

A

Y

Y

D

-

V

-

S

K

S

G

I

L

E

V

A

A

I

L

H

H

P

P

M

A

N

G

R

R

L

L

G

G

E

R

V

S

E

D

D

E

I

V

A

A

K

E

A

L

I

I

Y

V

F

F

L

L

A

L

S

S

D

D

E

R

N

A

T

S

F

F

M

V

T

A

G

G

T

S

I

Y

L

H

N

L

I

V

D

D

G

G

G

A

Y

Y

N

T

A

A

active site: G24 (= G13), S151 (= S139), Y164 (= Y152), K168 (= K156)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G9), S23 (≠ T12), G24 (= G13), I25 (= I14), D44 (≠ S33), F45 (≠ R34), L69 (= L58), D70 (= D59), N97 (= N86), A98 (≠ S87), Y164 (= Y152), K168 (= K156), P194 (= P182), G195 (= G183), I197 (= I185), T199 (= T187)

2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
36% identity, 99% coverage: 3:247/248 of query aligns to 6:238/240 of 2d1yA

query
sites
2d1yA

K

K

T

G

V

V

I

L

I

V

T

T

G
|
G

G

G

T

A

T
x
R

G
|
G

I
|
I

G

G

K

R

A

A

T

I

A

A

L

Q

H

A

F

F

A

A

K

R

N

E

G

G

Y

A

N

L

V

V

V

A

I

L

T

C

S

-

R

-

N

-

A

-

D

-

K

-

E

-

A

-

S

-

V

-

I

-

A

-

D
|
D

F
x
L

K
x
R

Q

P

N

E

G

G

A

K

D

E

I

V

T

A

-

E

-

A

-

I

-

G

-

A

F

F

L

F

P

Q

L
x
V

D
|
D

V
x
L

T

E

N

D

E

E

E

R

Q

E

V

R

K

V

S

R

V

F

I

V

E

E

T

E

T

A

V

A

K

Y

K

A

F

L

G

G

K

R

L

V

D

D

S

V

I

L

V

V

N

N

N
|
N

S
x
A

G
x
A

I
|
I

S

A

L

A

G

P

N

G

A

S

V

A

L

L

A

T

E

-

T

V

E

R

S

L

N

P

D

E

L

W

K

R

Q

R

M

V

L

L

E

E

T

V

N

N

V

L

M

T

G

A

V

P

Y

M

Y

H

G

L

M

S

K

A

Y

L

A

A

I

A

I

R

E

E

M

M

L

R

K

K

T

V

G

G

T

A

I

I

V

V

N

N

L
x
V

A

A

S
|
S

I

V

A

Q

G

G

L

L

N

F

G

A

L

E

Y

Q

A

E

T
x
N

A

A

Q

A

Y
|
Y

N

N

A

A

S

S

K
|
K

H

G

A

G

V

L

V

V

G

N

L

L

T

T

K

R

G

S

A

L

S

A

I

L

D

D

Y

L

A

A

Q

P

Q

L

G

R

I

I

R

R

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

A

A

I
|
I

K

A

T
|
T

D

E

I
x
A

L
x
V

K

L

N

E

A

A

I

I

A

A

S

R

G

R

T

D

Y

W

D

-

V

-

S

-

I

-

E

E

A

D

I

L

H

H

P

A

M

L

N

R

R

R

L

L

G

G

E

K

V

P

E

E

D

E

I

V

A

A

K

E

A

A

I

V

Y

L

F

F

L

L

A

A

S

S

D

E

E

K

N

A

T

S

F

F

M

I

T

T

G

G

T

A

I

I

L

L

N

P

I

V

D

D

G

G

Y

M

N

T

A

A

active site: G16 (= G13), S135 (= S139), N145 (≠ T149), Y148 (= Y152), K152 (= K156)
binding nicotinamide-adenine-dinucleotide: G12 (= G9), R15 (≠ T12), I17 (= I14), D36 (= D45), L37 (≠ F46), R38 (≠ K47), V55 (≠ L58), D56 (= D59), L57 (≠ V60), N83 (= N86), A84 (≠ S87), A85 (≠ G88), I86 (= I89), V133 (≠ L137), S135 (= S139), Y148 (= Y152), K152 (= K156), P178 (= P182), G179 (= G183), I181 (= I185), T183 (= T187), A185 (≠ I189), V186 (≠ L190)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
36% identity, 98% coverage: 1:244/248 of query aligns to 3:243/246 of 3osuA

query
sites
3osuA

M

M

K

T

K

K

T

S

V

A

I

L

I

V

T

T

G

G

G

A

T

S

T

R

G
|
G

I

I

G

G

K

R

A

S

T

I

A

A

L

L

H

Q

F

L

A

A

K

E

N

E

G

G

Y

Y

N

N

V

V

V

A

I

V

T

N

-

Y

S

A

R

G

N

S

A

K

D

E

K

K

E

A

A

E

S

A

V

V

I

V

A

E

D

E

F

I

K

K

Q

A

N

K

G

G

A

V

D

D

I

S

T

F

F

A

L

I

P

Q

L

A

D

N

V

V

T

A

N

D

E

A

E

D

Q

E

V

V

K

K

S

A

V

M

I

I

E

K

T

E

T

V

V

V

K

S

K

Q

F

F

G

G

K

S

L

L

D

D

S

V

I

L

V

V

N

N

N
|
N

S

A

G

G

I

I

S

T

L

R

G

D

N

N

A

-

V

L

L

L

A

M

E

R

T

M

E

K

S

E

N

Q

D

E

L

W

K

D

Q

D

M

V

L

I

E

D

T

T

N

N

V

L

M

K

G

G

V

V

Y

F

Y

N

G

C

M

I

K

Q

Y

K

A

A

I

T

I

P

E

Q

M

M

L

L

K

R

T

Q

G

R

G

S

G

G

T

A

I

I

V

I

N

N

L

L

A

S

S
|
S

I

V

A

V

G

G

L

A

N

V

G

G

L

N

Y

P

A

G

T
x
Q

A

A

Q

N

Y
|
Y

N

V

A

A

S

T

K
|
K

H

A

A

G

V

V

V

I

G

G

L

L

T

T

K

K

G

S

A

A

S

A

I

R

D

E

Y

L

A

A

Q

S

Q

R

G

G

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P

P

G

G

A

F

I

I

K

V

T

S

D

D

I

-

L

M

K

T

N

D

A

A

I

L

A

S

S

D

G

E

T

L

Y

K

D

E

V

Q

S

M

S

L

I

T

E

Q

A

I

I

-

H

-

P

P

M

L

N

A

R

R

L

F

G

G

E

Q

V

D

E

T

D

D

I

I

A

A

K

N

A

T

I

V

Y

A

F

F

L

L

A

A

S

S

D

D

E

K

N

A

T

K

F

Y

M

I

T

T

G

G

T

Q

I

T

L

I

N

H

I

V

D

N

G

G

active site: G15 (= G13), S141 (= S139), Q151 (≠ T149), Y154 (= Y152), K158 (= K156)
binding magnesium ion: N89 (= N86), K158 (= K156)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
38% identity, 99% coverage: 3:248/248 of query aligns to 8:261/261 of 6zzsD

query
sites
6zzsD

K

K

T

V

V

A

I

F

I

I

T

T

G
|
G

G

S

T

A

T
x
S

G
|
G

I
|
I

G

G

K

L

A

E

T

I

A

A

L

K

H

K

F

F

A

A

K

Q

N

E

G

G

Y

A

N

K

V

V

I

I

T

S

S
x
D

R
x
M

N

N

A

A

D

E

K

K

E

C

A

Q

S

E

V

T

I

A

A

N

D

S

F

L

K

K

Q

E

N

Q

G

G

A

F

D

D

I

A

T

L

F

S

L

A

P

P

L

C

D
|
D

V
|
V

T

T

N

D

E

E

E

D

Q

A

V

Y

K

K

S

Q

V

A

I

I

E

E

T

L

T

T

V

Q

K

K

K

T

F

F

G

G

K

T

L

V

D

D

S

I

I

L

V

I

N

N

N
|
N

S
x
A

G
|
G

I

F

S
x
Q

L

-

G

H

N

V

A

A

V

P

L

I

A

E

E

E

T

F

E

P

S

T

N

A

D

V

L

F

K

Q

Q

K

M

L

L

V

E

Q

T

V

N

M

V

L

M

T

G

G

V

A

Y

F

Y

I

G

G

M

I

K

K

Y

H

A

V

I

L

I

P

E

I

M

M

L

K

K

A

T

Q

G

K

G

Y

G

G

T

R

I

I

V

I

N

N

L
x
M

A
|
A

S
|
S

I

I

A
x
N

G

G

L

L

N

I

G

G

L

F

Y

A

A

G

T
x
K

A

A

Q

G

Y
|
Y

N

N

A

S

S

A

K
|
K

H

H

A

G

V

V

V

I

G

G

L

L

T

T

K

K

G

V

A

A

S

A

I

L

D

E

Y

C

A

A

Q

R

Q

D

G

G

I

I

R

T

V

V

N

N

A

A

V

L

A

C

P
|
P

G
|
G

A

Y

I
x
V

K

D

T
|
T

D

P

I
x
L

L

V

K

R

N

G

A
x
Q

I

I

A

A

-

D

-

L

S

A

G

K

T

T

Y

R

D

N

V

V

S

S

-

L

-

D

-

S

-

A

-

L

-

E

-

D

S

V

I

I

E

L

A

A

I

M

H

V

P

P

M

Q

N

K

R

R

L

L

G

L

E

S

V

V

E

E

D

E

I

I

A

A

K

D

A

Y

I

A

Y

I

F

F

L

L

A

A

S

S

D

S

E

K

N

A

T

G

F

G

M

V

T

T

G

G

T

Q

I

A

L

V

N

V

I

M

D

D

G

G

Y

Y

N

T

A

A

K

Q

active site: G18 (= G13), S143 (= S139), Y156 (= Y152)
binding nicotinamide-adenine-dinucleotide: G14 (= G9), S17 (≠ T12), I19 (= I14), D38 (≠ S33), M39 (≠ R34), D64 (= D59), V65 (= V60), N91 (= N86), A92 (≠ S87), G93 (= G88), M141 (≠ L137), A142 (= A138), S143 (= S139), Y156 (= Y152), K160 (= K156), P186 (= P182), G187 (= G183), V189 (≠ I185), T191 (= T187), L193 (≠ I189)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ S90), S143 (= S139), N145 (≠ A141), K153 (≠ T149), Y156 (= Y152), Q197 (≠ A193)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
38% identity, 99% coverage: 3:248/248 of query aligns to 7:260/260 of 6zzqA

query
sites
6zzqA

K

K

T

V

V

A

I

F

I

I

T

T

G
|
G

G

S

T

A

T
x
S

G
|
G

I
|
I

G

G

K

L

A

E

T

I

A

A

L

K

H

K

F

F

A

A

K

Q

N

E

G

G

Y

A

N

K

V

V

I

I

T

S

S
x
D

R
x
M

N

N

A

A

D

E

K

K

E

C

A

Q

S

E

V

T

I

A

A

N

D

S

F

L

K

K

Q

E

N

Q

G

G

A

F

D

D

I

A

T

L

F

S

L

A

P

P

L

C

D
|
D

V
|
V

T

T

N

D

E

E

E

D

Q

A

V

Y

K

K

S

Q

V

A

I

I

E

E

T

L

T

T

V

Q

K

K

K

T

F

F

G

G

K

T

L

V

D

D

S

I

I

L

V

I

N

N

N
|
N

S
x
A

G
|
G

I

F

S
x
Q

L

-

G

H

N

V

A

A

V

P

L

I

A

E

E

E

T

F

E

P

S

T

N

A

D

V

L

F

K

Q

Q

K

M

L

L

V

E

Q

T

V

N

M

V

L

M

T

G

G

V

A

Y

F

Y

I

G

G

M

I

K

K

Y

H

A

V

I

L

I

P

E

I

M

M

L

K

K

A

T

Q

G

K

G

Y

G

G

T

R

I

I

V

I

N

N

L
x
M

A
|
A

S
|
S

I

I

A

N

G

G

L

L

N

I

G

G

L

F

Y

A

A

G

T
x
K

A

A

Q

G

Y
|
Y

N

N

A

S

S

A

K
|
K

H

H

A

G

V

V

V

I

G

G

L

L

T

T

K

K

G

V

A

A

S

A

I

L

D

E

Y

C

A

A

Q

R

Q

D

G

G

I

I

R

T

V

V

N

N

A

A

V

L

A

C

P

P

G

G

A
x
Y

I
x
V

K

D

T
|
T

D

P

I

L

L

V

K

R

N

G

A
x
Q

I

I

A

A

-

D

-

L

S

A

G

K

T

T

Y

R

D

N

V

V

S

S

-

L

-

D

-

S

-

A

-

L

-

E

-

D

S

V

I

I

E

L

A

A

I

M

H

V

P

P

M

Q

N

K

R

R

L

L

G

L

E

S

V

V

E

E

D

E

I

I

A

A

K

D

A

Y

I

A

Y

I

F

F

L

L

A

A

S

S

D

S

E

K

N

A

T

G

F

G

M

V

T

T

G

G

T

Q

I

A

L

V

N

V

I

M

D

D

G

G

Y

Y

N

T

A

A

K

Q

active site: G17 (= G13), S142 (= S139), Y155 (= Y152)
binding acetoacetic acid: Q94 (≠ S90), S142 (= S139), K152 (≠ T149), Y155 (= Y152), Q196 (≠ A193)
binding nicotinamide-adenine-dinucleotide: G13 (= G9), S16 (≠ T12), G17 (= G13), I18 (= I14), D37 (≠ S33), M38 (≠ R34), D63 (= D59), V64 (= V60), N90 (= N86), A91 (≠ S87), G92 (= G88), M140 (≠ L137), A141 (= A138), S142 (= S139), Y155 (= Y152), K159 (= K156), Y187 (≠ A184), V188 (≠ I185), T190 (= T187)

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
39% identity, 99% coverage: 3:248/248 of query aligns to 7:251/251 of 7ejiB

query
sites
7ejiB

K

K

T

V

V

A

I

I

I

V

T

T

G
|
G

G

G

T
|
T

T
x
L

G
|
G

I
|
I

G

G

K

L

A

A

T

I

A

A

L

D

H

K

F

F

A

V

K

E

N

E

G

G

Y

A

N

K

V

V

I

I

T

T

S

G

R
|
R

N
x
H

A

A

D

D

-

V

-

G

-

E

K

K

E

A

A

A

S

K

V

S

I

I

A

G

D

-

F

-

K

-

Q

-

N

-

G

G

A

T

D

D

-

V

I

I

T

R

F

F

L

V

P

Q

L

H

D
|
D

V
x
A

T

S

N

D

E

E

E

A

Q

G

V

W

K

T

S

K

V

L

I

F

E

D

T

T

V

E

K

E

K

A

F

F

G

G

K

P

L

V

D

T

S

T

I

V

V

V

N

N

N
|
N

S
x
A

G

G

I

I

S

A

L

V

G

S

N

K

A

S

V

V

L

-

A

E

E

D

T

T

E

T

S

T

N

E

D

E

L

W

K

R

Q

K

M

L

L

L

E

S

T
x
V

N

N

V

L

M

D

G

G

V

V

Y

F

G

G

M

T

K

R

Y

L

A

G

I

I

I

Q

E

R

M

M

L

K

K

N

T

K

G

G

-

L

G

G

G

A

T

S

I

I

V

I

N

N

L
x
M

A

S

S
|
S

I
|
I

A

E

G

G

L

L

N

V

G

G

L

D

Y

P

A

T

T

Q

A

G

Q

A

Y
|
Y

N

N

A

A

S

S

K
|
K

H

G

A

A

V

V

V

R

G

I

L

M

T

S

K

K

G

S

A

A

S

A

I

L

D

D

Y

C

A

A

Q

L

Q

K

G

D

-

Y

-

D

I

V

R

R

V

V

N

N

A

T

V

V

A

H

P
|
P

G

G

A
x
P

I
|
I

K

K

T
|
T

D
x
P

I
x
L

L

V

K

D

N

D

A

A

I

-

A

-

S

E

G

G

T

A

Y

E

D

E

V

F

S
x
F

S

S

I

Q

E

R

A

T

I

K

H

T

P

P

M

M

N

G

R

H

L

I

G

G

E

E

V

P

E

N

D

D

I

I

A

A

K

W

A

I

I

C

Y

V

F

Y

L

L

A

A

S

S

D

D

E

E

N

S

T

K

F

F

M

A

T

T

G

G

T

A

I

E

L

F

N

V

I

V

D

D

G

G

Y

Y

N

T

A

A

K

Q

binding methyl 2-methylprop-2-enoate: S142 (= S139), I143 (= I140), Y155 (= Y152), F205 (≠ S202)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), T15 (= T11), L16 (≠ T12), G17 (= G13), I18 (= I14), R38 (= R34), H39 (≠ N35), D62 (= D59), A63 (≠ V60), N89 (= N86), A90 (≠ S87), V112 (≠ T110), M140 (≠ L137), S142 (= S139), Y155 (= Y152), K159 (= K156), P187 (= P182), P189 (≠ A184), I190 (= I185), T192 (= T187), P193 (≠ D188), L194 (≠ I189)

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
39% identity, 99% coverage: 3:248/248 of query aligns to 9:253/253 of 7ejhA

query
sites
7ejhA

K

K

T

V

V

A

I

I

I

V

T

T

G
|
G

G

G

T
|
T

T

L

G

G

I
|
I

G

G

K

L

A

A

T

I

A

A

L

D

H

K

F

F

A

V

K

E

N

E

G

G

Y

A

N

K

V

V

I

I

T

T

S

G

R
|
R

N
x
H

A

A

D

D

-

V

-

G

-

E

K

K

E

A

A

A

S

K

V

S

I

I

A

G

D

-

F

-

K

-

Q

-

N

-

G

G

A

T

D

D

-

V

I

I

T

R

F

F

L

V

P

Q

L

H

D
|
D

V
x
A

T

S

N

D

E

E

E

A

Q

G

V

W

K

T

S

K

V

L

I

F

E

D

T

T

V

E

K

E

K

A

F

F

G

G

K

P

L

V

D

T

S

T

I

V

V

V

N

N

N
|
N

S
x
A

G

G

I

I

S

A

L

V

G

S

N

K

A

S

V

V

L

-

A

E

E

D

T

T

E

T

S

T

N

E

D

E

L

W

K

R

Q

K

M

L

L

L

E

S

T
x
V

N

N

V

L

M

D

G

G

V

V

Y

F

G

G

M

T

K

R

Y

L

A

G

I

I

I

Q

E

R

M

M

L

K

K

N

T

K

G

G

-

L

G

G

G

A

T

S

I

I

V

I

N

N

L
x
M

A

S

S
|
S

I
|
I

A
x
E

G

G

L

L

N

V

G

G

L

D

Y

P

A

T

T

Q

A

G

Q

A

Y
|
Y

N

N

A

A

S

S

K
|
K

H

G

A

A

V

V

V

R

G

I

L

M

T

S

K

K

G

S

A

A

S

A

I

L

D

D

Y

C

A

A

Q

L

Q

K

G

D

-

Y

-

D

I

V

R

R

V

V

N

N

A

T

V

V

A

H

P
|
P

G
|
G

A
x
P

I
|
I

K

K

T
|
T

D
x
P

I
x
L

L
x
V

K

D

N

D

A

A

I

-

A

-

S

E

G

G

T

A

Y

E

D

E

V

F

S
x
F

S

S

I

Q

E

R

A

T

I

K

H

T

P

P

M

M

N

G

R

H

L

I

G

G

E

E

V

P

E

N

D

D

I

I

A

A

K

W

A

I

I

C

Y

V

F

Y

L

L

A

A

S

S

D

D

E

E

N

S

T

K

F

F

M

A

T

T

G

G

T

A

I

E

L

F

N

V

I

V

D

D

G

G

Y

Y

N

T

A

A

K

Q

binding 2-oxidanylisoindole-1,3-dione: S144 (= S139), I145 (= I140), E146 (≠ A141), Y157 (= Y152), V197 (≠ L190), F207 (≠ S202)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), T17 (= T11), I20 (= I14), R40 (= R34), H41 (≠ N35), D64 (= D59), A65 (≠ V60), N91 (= N86), A92 (≠ S87), V114 (≠ T110), M142 (≠ L137), S144 (= S139), Y157 (= Y152), K161 (= K156), P189 (= P182), G190 (= G183), P191 (≠ A184), I192 (= I185), T194 (= T187), P195 (≠ D188), L196 (≠ I189)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
35% identity, 98% coverage: 3:244/248 of query aligns to 2:236/239 of 3sj7A

query
sites
3sj7A

K

K

T

S

V

A

I

L

I

V

T

T

G
|
G

G

A

T
x
S

T
x
R

G
|
G

I
|
I

G

G

K

R

A

S

T

I

A

A

L

L

H

Q

F

L

A

A

K

E

N

E

G

G

Y

Y

N

N

V

V

V

A

I

V

T
x
N

-
x
Y

S
x
A

R
x
G

N
x
S

A

K

D

E

K

K

E

A

A

E

S

A

V

V

I

V

A

E

D

E

F

I

K

K

Q

A

N

K

G

G

A

V

D

D

I

S

T

F

F

A

L

I

P

Q

L
x
A

D
x
N

V
|
V

T

A

N

D

E

A

E

D

Q

E

V

V

K

K

S

A

V

M

I

I

E

K

T

E

T

V

V

V

K

S

K

Q

F

F

G

G

K

S

L

L

D

D

S

V

I

L

V

V

N

N

N
|
N

S
x
A

G

G

I

I

S

T

L

R

G

D

N

N

A

-

V

L

L

L

A

M

E

R

T

M

E

K

S

E

N

Q

D

E

L

W

K

D

Q

D

M

V

L

I

E

D

T
|
T

N

N

V

L

M

K

G

G

V

V

Y

F

Y

N

G

C

M

I

K

Q

Y

K

A

A

I

T

I

P

E

Q

M

M

L

L

K

R

T

Q

G

R

G

S

G

G

T

A

I

I

V

I

N

N

L

L

A

S

S
|
S

I

V

A

V

G

G

L

A

N

V

G

G

L

N

Y

P

A

G

T
x
Q

A

A

Q

N

Y
|
Y

N

V

A

A

S

T

K
|
K

H

A

A

G

V

V

V

I

G

G

L

L

T

T

K

K

G

S

A

A

S

A

I

R

D

E

Y

L

A

A

Q

S

Q

R

G

G

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

A

F

I

I

K

V

T

S

D

D

I

M

-

T

-

D

-

E

L

L

K

K

N

E

A

Q

I

M

A

L

S

T

G

Q

T

I

Y

-

D

-

V

-

S

-

I

-

E

-

A

-

I

-

H

-

P

P

M

L

N

A

R

R

L

F

G

G

E

Q

V

D

E

T

D

D

I

I

A

A

K

N

A

T

I

V

Y

A

F

F

L

L

A

A

S

S

D

D

E

K

N

A

T

K

F

Y

M

I

T

T

G

G

T

Q

I

T

L

I

N

H

I

V

D

N

G

G

active site: G12 (= G13), S138 (= S139), Q148 (≠ T149), Y151 (= Y152), K155 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), S10 (≠ T11), R11 (≠ T12), I13 (= I14), N31 (≠ T32), Y32 (vs. gap), A33 (≠ S33), G34 (≠ R34), S35 (≠ N35), A58 (≠ L58), N59 (≠ D59), V60 (= V60), N86 (= N86), A87 (≠ S87), T109 (= T110), S138 (= S139), Y151 (= Y152), K155 (= K156<