SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_072786735.1 NCBI__GCF_900143065.1:WP_072786735.1 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)

3toxA Crystal structure of a short chain dehydrogenase in complex with NAD(p) from sinorhizobium meliloti 1021
60% identity, 99% coverage: 2:253/254 of query aligns to 1:254/254 of 3toxA

query
sites
3toxA

K

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active site: G16 (= G17), S142 (≠ T143), V153 (≠ M154), Y156 (= Y157), K160 (= K161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), S15 (= S16), G16 (= G17), I17 (= I18), A36 (= A37), R37 (= R38), N38 (≠ R39), V63 (≠ I64), N89 (= N90), A90 (= A91), G91 (= G92), T140 (= T141), S142 (≠ T143), Y156 (= Y157), K160 (= K161), P186 (= P187), G188 (= G189), T189 (= T190), T191 (= T192)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
40% identity, 98% coverage: 2:250/254 of query aligns to 3:251/261 of 1g6kA

query
sites
1g6kA

K

K

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G

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active site: G18 (= G17), S145 (≠ F144), Y158 (= Y157), K162 (= K161)
binding nicotinamide-adenine-dinucleotide: T17 (≠ S16), G18 (= G17), L19 (≠ I18), R39 (= R38), D65 (= D63), V66 (≠ I64), N92 (= N90), A93 (= A91), G94 (= G92), M143 (≠ S142), S145 (≠ F144), Y158 (= Y157), P188 (= P187), G189 (= G188), I191 (≠ T190), T193 (= T192)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
40% identity, 98% coverage: 2:250/254 of query aligns to 3:251/261 of P40288

query
sites
P40288

K

K

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G

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11:35 (vs. 10:34, 48% identical) binding NADP(+)
E96 (≠ M94) mutation E->A,G,K: Heat stable.
D108 (= D107) mutation to N: Heat stable.
V112 (≠ T111) mutation to A: Heat stable.
E133 (≠ A132) mutation to K: Heat stable.
V183 (= V182) mutation to I: Heat stable.
P194 (= P193) mutation to Q: Heat stable.
E210 (= E209) mutation to K: Heat stable.
Y217 (≠ R216) mutation to H: Heat stable.

Sites not aligning to the query:

252 Q→L: Heat stable.
253 Y→C: Heat stable.
258 A→G: Heat stable.

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
38% identity, 97% coverage: 4:250/254 of query aligns to 3:246/248 of 6ixmC

query
sites
6ixmC

L

L

A

D

G

N

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K

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G

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C

N

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M

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S

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Y

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active site: G16 (= G17), S142 (≠ T143), Y155 (= Y157), K159 (= K161)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (= S16), G16 (= G17), I17 (= I18), D36 (≠ A37), I37 (≠ R38), A61 (≠ G62), D62 (= D63), T63 (≠ I64), N89 (= N90), A90 (= A91), M140 (≠ T141), S142 (≠ T143), Y155 (= Y157), K159 (= K161), P185 (= P187), A186 (≠ G188), Y187 (≠ G189), I188 (≠ T190), L192 (≠ M194)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme
40% identity, 98% coverage: 1:250/254 of query aligns to 1:247/249 of 8y83A

query
sites
8y83A

M

M

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K

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K

Y

Y

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A

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M

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A

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N

G

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F

N

T
x
M

S

A

T

S

F

I

V

H

G

G

Y

-

T

T

V

V

G

A

M

A

P

P

G

M

M

S

G

S

A

A

Y
|
Y

A

T

A

S

S

A

K
|
K

A

H

G

A

M

V

I

V

G

G

L

L

T

T

Q

K

V

N

I

I

A

G

A

A

E

E

C

Y

G

G

R

Q

Q

K

G

N

I

I

R

R

V

C

N

N

A

A

L

V

L

G

P
|
P

G
|
G

G
x
Y

T
x
I

D

D

T

T

P

P

M
x
L

G

-

R

-

A

L

A

A

T

K

A

L

A

D

P

K

E

E

A

H

R

I

Q

N

F

A

V

L

E

I

N

S

L

K

H

H

A

P

L

I

K

G

R

R

M

L

A

G

E

K

P

A

Q

E

E

E

I

V

A

A

Q

E

S

L

A

V

L

L

Y

F

L

L

A

S

S

S

D

D

A

K

S

S

F

F

V

M

T

T

G

G

T

G

A

Y

L

Y

L

L

V

V

D

D

G

G

V

Y

S

T

binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (= S16), G17 (= G17), I18 (= I18), D37 (≠ A37), I38 (≠ R38), A62 (≠ G62), D63 (= D63), S64 (≠ I64), N90 (= N90), M141 (≠ T141), Y156 (= Y157), K160 (= K161), P186 (= P187), G187 (= G188), Y188 (≠ G189), I189 (≠ T190), L193 (≠ M194)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
38% identity, 98% coverage: 2:250/254 of query aligns to 6:251/258 of 4wecA

query
sites
4wecA

K

Q

Q

R

L

L

A

A

G

G

K

K

V

V

A

A

I

V

I

I

T

T

G
|
G

A

G

S
x
A

S
|
S

G
|
G

I
|
I

G

G

Y

L

H

A

T

T

A

G

R

R

L

R

F

L

A

R

Q

A

H

E

G

G

A

A

K

T

L

V

V

V

T

G

A

-

R

-

I

-

E

-

E
x
D

L
x
I

N

D

V

P

L

T

V

T

E

G

Q

K

I

A

R

A

Q

A

E

D

D

E

G

L

V

E

A

G

I

L

A

F

V

V

A

P

G
x
V

D
|
D

I
x
V

R

S

N

E

E

Q

Q

E

L

A

A

V

Q

D

R

N

L

L

V

F

Q

D

T

T

A

A

E

A

E

S

R

T

F

F

G

G

G

R

L

V

D

D

I

I

A

A

F

F

N

N

N
|
N

A

A

G

G

T

I

M

S

G

P

P

P

S

E

G

D

P

D

-

L

I

I

Q

E

D

N

T

T

D

D

L

L

R

P

D

A

W

W

N

Q

D

R

T

V

L

Q

A

D

I

I

N

N

L

L

T

K

S

S

A

V

F

Y

L

L

G

S

V

C

K

R

Y

A

Q

A

I

L

P

R

A

H

M

M

A

V

A

P

R

A

G

G

G

K

G

G

S

S

I

I

F

N

T
|
T

S

A

T
x
S

F

F

V

V

G

A

Y

V

T

M

V

G

G

S

M

A

P

T

G

S

M
x
Q

G

I

A

S

Y
|
Y

A

T

A

A

S

S

K
|
K

A

G

G

G

M

V

I

L

G

A

L

M

T

S

Q

R

V

E

I

L

A

G

A

V

E

Q

C

Y

G

A

R

R

Q

Q

G

G

I

I

R

R

V

V

N

N

A

A

L

L

L

C

P
|
P

G

G

G
x
P

T
x
V

D

N

T

T

P

P

M

L

G

L

R

Q

A

E

A

L

T

F

A

A

A

K

P

D

E

P

A

E

R

R

Q

A

F

A

V

R

E

R

N

L

L

V

H

H

-

I

A

P

L

L

K

G

R

R

M

F

A

A

E

E

P

P

Q

E

E

E

I

L

A

A

Q

A

S

A

A

V

L

A

Y

F

L

L

A

A

S

S

D

D

A

D

S

A

S

S

F

F

V

I

T

T

G

G

T

S

A

T

L

F

L

L

V

V

D

D

G

G

V

I

S

S

active site: G21 (= G17), S143 (≠ T143), Q154 (≠ M154), Y157 (= Y157), K161 (= K161)
binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (≠ S15), S20 (= S16), G21 (= G17), I22 (= I18), D41 (≠ E42), I42 (≠ L43), V61 (≠ G62), D62 (= D63), V63 (≠ I64), N89 (= N90), T141 (= T141), Y157 (= Y157), K161 (= K161), P187 (= P187), P189 (≠ G189), V190 (≠ T190)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 96% coverage: 4:248/254 of query aligns to 3:244/248 of 4urfB

query
sites
4urfB

L

L

A

E

G

G

K

K

V

T

A

A

I

L

I

V

T

T

G
|
G

A

A

S
x
G

S
x
N

G
|
G

I
|
I

G

G

Y

R

H

T

T

I

A

A

R

L

L

T

F

Y

A

A

Q

A

H

E

G

G

A

A

K

N

L

V

V

V

T

S

A
x
D

R
x
I

R

S

I

D

E

E

E

W

L

G

N

R

V

E

L

T

V

L

E

A

Q

L

I

I

R

E

Q

G

E

K

D

G

G

G

V

K

A

A

I

V

A

F

V

Q

A

H

G

A

D
|
D

I
x
T

R

A

N

H

E

P

Q

E

L

D

A

H

Q

D

R

E

L

L

V

I

Q

A

T

A

A

A

E

K

E

R

R

A

F

F

G

G

G

R

L

L

D

D

I

I

A

A

F

C

N

N

N
|
N

A
|
A

G
|
G

T
x
I

M

S

G
|
G

P

E

S

F

G

T

P

P

I

T

Q

A

D

E

T

T

D

T

L

D

R

A

D

Q

W

W

N

Q

D
x
R

T

V

L

I

A

G

I

I

N

N

L

L

T

S

S

G

A

V

F

F

L

Y

G

G

V

V

K

R

Y

A

Q

Q

I

I

P

R

A

A

M

M

A

L

A

E

R

T

G

G

S

A

I

I

I

V

F

N

T
x
I

S

S

T
x
S

F

I

V

A

G

G

Y

-

T

Q

V

I

G

G

M

I

P

E

G

G

M
x
I

G

T

A

P

Y
|
Y

A

T

A

A

S

A

K
|
K

A

H

G

G

M

V

I

V

G

G

L

L

T

T

Q

K

V

T

I

V

A

A

A

W

E

E

C

Y

G

G

R

S

Q

K

G

G

I

I

R
|
R

V

I

N

N

A

S

L

V

L

G

P
|
P

G
x
A

G

F

T
x
I

D

N

T
|
T

P

T

M

L

G

-

R

-

A

V

A

Q

T

N

A

V

A

P

P

L

E

E

A

T

R

R

Q

R

F

Q

V

L

E

E

N

Q

L

M

H

H

A

A

L
|
L

K
x
R

R
|
R

M

L

A

G

E

E

P

T

Q

E

E

E

I

V

A

A

Q

N

S

L

A

V

L

A

Y

W

L

L

A

S

S
|
S

D

D

A

K

S

A

S

S

F

F

V

V

T

T

G

G

T

S

A

Y

L

Y

L

A

V

V

D

D

G

G

active site: G16 (= G17), S142 (≠ T143), I152 (≠ M154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (= L214), R211 (≠ K215), R212 (= R216)
binding bicarbonate ion: I92 (≠ T93), G94 (= G95), R109 (≠ D110), R179 (= R181), S228 (= S232)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ S16), G16 (= G17), I17 (= I18), D36 (≠ A37), I37 (≠ R38), D62 (= D63), T63 (≠ I64), N89 (= N90), A90 (= A91), G91 (= G92), I140 (≠ T141), Y155 (= Y157), K159 (= K161), P185 (= P187), A186 (≠ G188), I188 (≠ T190), T190 (= T192)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 96% coverage: 4:248/254 of query aligns to 3:244/248 of 4urfA

query
sites
4urfA

L

L

A

E

G

G

K

K

V

T

A

A

I

L

I

V

T

T

G
|
G

A

A

S
x
G

S
x
N

G
|
G

I
|
I

G

G

Y

R

H

T

T

I

A

A

R

L

L

T

F

Y

A

A

Q

A

H

E

G

G

A

A

K

N

L

V

V

V

T

S

A
x
D

R
x
I

R

S

I

D

E

E

E
x
W

L

G

N

R

V

E

L

T

V

L

E

A

Q

L

I

I

R

E

Q

G

E

K

D

G

G

G

V

K

A

A

I

V

A

F

V

Q

A

H

G

A

D
|
D

I
x
T

R

A

N

H

E

P

Q

E

L

D

A

H

Q

D

R

E

L

L

V

I

Q

A

T

A

A

A

E

K

E

R

R

A

F

F

G

G

G

R

L

L

D

D

I

I

A

A

F

C

N

N

N
|
N

A
|
A

G
|
G

T
x
I

M
x
S

G
|
G

P
x
E

S

F

G
x
T

P

P

I

T

Q

A

D
x
E

T

T

D
x
T

L

D

R

A

D
x
Q

W

W

N

Q

D
x
R

T

V

L

I

A

G

I

I

N

N

L

L

T

S

S

G

A

V

F

F

L

Y

G

G

V

V

K

R

Y

A

Q

Q

I

I

P

R

A

A

M

M

A

L

A

E

R

T

G

G

S

A

I

I

I

V

F

N

T
x
I

S

S

T
x
S

F

I

V

A

G

G

Y

-

T

Q

V

I

G

G

M

I

P

E

G

G

M
x
I

G

T

A

P

Y
|
Y

A

T

A

A

S

A

K
|
K

A

H

G

G

M

V

I

V

G

G

L

L

T

T

Q

K

V

T

I

V

A

A

A

W

E

E

C

Y

G

G

R
x
S

Q

K

G
|
G

I

I

R

R

V

I

N

N

A

S

L

V

L

G

P
|
P

G

A

G

F

T
x
I

D

N

T
|
T

P

T

M

L

G

-

R

-

A

V

A

Q

T

N

A

V

A

P

P

L

E

E

A

T

R

R

Q

R

F

Q

V

L

E

E

N

Q

L

M

H

H

A

A

L

L

K

R

R

R

M

L

A

G

E

E

P

T

Q

E

E

E

I

V

A

A

Q

N

S

L

A

V

L

A

Y

W

L

L

A

S

S

S

D

D

A

K

S

A

S

S

F

F

V

V

T

T

G

G

T
x
S

A
x
Y

L

Y

L

A

V

V

D

D

G

G

active site: G16 (= G17), S142 (≠ T143), I152 (≠ M154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (≠ T93), S93 (≠ M94), G94 (= G95), E95 (≠ P96), T97 (≠ G98), E101 (≠ D102), T103 (≠ D104), Q106 (≠ D107), R109 (≠ D110), S175 (≠ R177), G177 (= G179)
binding magnesium ion: S237 (≠ T241), Y238 (≠ A242)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ S16), G16 (= G17), I17 (= I18), D36 (≠ A37), I37 (≠ R38), W41 (≠ E42), D62 (= D63), T63 (≠ I64), N89 (= N90), A90 (= A91), G91 (= G92), I140 (≠ T141), Y155 (= Y157), K159 (= K161), P185 (= P187), I188 (≠ T190), T190 (= T192)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
38% identity, 96% coverage: 4:248/254 of query aligns to 3:244/248 of 4ureB

query
sites
4ureB

L

L

A

E

G

G

K

K

V

T

A

A

I

L

I

V

T

T

G

G

A

A

S

G

S
x
N

G
|
G

I
|
I

G

G

Y

R

H

T

T

I

A

A

R

L

L

T

F

Y

A

A

Q

A

H

E

G

G

A

A

K

N

L

V

V

V

T

S

A

D

R

I

R

S

I

D

E

E

E

W

L

G

N

R

V

E

L

T

V

L

E

A

Q

L

I

I

R

E

Q

G

E

K

D

G

G

G

V

K

A

A

I

V

A

F

V

Q

A

H

G

A

D

D

I

T

R

A

N

H

E

P

Q

E

L

D

A

H

Q

D

R

E

L

L

V

I

Q

A

T

A

A

A

E

K

E

R

R

A

F

F

G

G

G

R

L

L

D

D

I

I

A

A

F

C

N

N

N
|
N

A

A

G
|
G

T

I

M

S

G

G

P

E

S

F

G

T

P

P

I

T

Q

A

D

E

T

T

D

T

L

D

R

A

D

Q

W

W

N

Q

D

R

T

V

L

I

A

G

I

I

N

N

L

L

T

S

S

G

A

V

F

F

L

Y

G

G

V

V

K

R

Y

A

Q

Q

I

I

P

R

A

A

M

M

A

L

A

E

R

T

G

G

S

A

I

I

I

V

F

N

T

I

S

S

T
x
S

F

I

V

A

G

G

Y

-

T

Q

V

I

G

G

M

I

P

E

G

G

M
x
I

G

T

A

P

Y
|
Y

A

T

A

A

S

A

K
|
K

A

H

G

G

M

V

I

V

G

G

L

L

T

T

Q

K

V

T

I

V

A

A

A

W

E

E

C

Y

G

G

R

S

Q

K

G

G

I

I

R

R

V

I

N

N

A

S

L

V

L

G

P
|
P

G
x
A

G

F

T

I

D

N

T

T

P

T

M

L

G

-

R

-

A

V

A

Q

T

N

A

V

A

P

P

L

E

E

A

T

R

R

Q

R

F

Q

V

L

E

E

N

Q

L

M

H

H

A

A

L

L

K

R

R

R

M

L

A

G

E

E

P

T

Q

E

E

E

I

V

A

A

Q

N

S

L

A

V

L

A

Y

W

L

L

A

S

S

S

D

D

A

K

S

A

S

S

F

F

V

V

T

T

G

G

T

S

A

Y

L

Y

L

A

V

V

D

D

G

G

active site: G16 (= G17), S142 (≠ T143), I152 (≠ M154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ S16), G16 (= G17), I17 (= I18), N89 (= N90), G91 (= G92), Y155 (= Y157), P185 (= P187), A186 (≠ G188)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
36% identity, 98% coverage: 2:251/254 of query aligns to 3:253/254 of 4fn4A

query
sites
4fn4A

K

Q

Q

S

L

L

A

K

G

N

K

K

V

V

A

V

I

I

I

V

T

T

G
|
G

A

A

S

G

S
|
S

G
|
G

I
|
I

G

G

Y

R

H

A

T

I

A

A

R

K

L

K

F

F

A

A

Q

L

H

N

G

D

A

S

K

I

L

V

V

V

V

A

T

V

A
x
E

R
x
L

R

L

I

E

E

D

E
x
R

L

L

N

N

V

Q

L

I

V

V

E

Q

Q

E

I

L

R

R

Q

G

E

M

D

G

G

K

V

E

A

V

I

L

A

G

V

V

A

K

G
x
A

D
|
D

I
x
V

R

S

N

K

E

K

Q

K

L

D

A

V

Q

E

R

E

L

F

V

V

Q

R

T

R

A

T

E

F

E

E

R

T

F

Y

G

S

G

R

L

I

D

D

I

V

A

L

F

C

N

N

N
|
N

A

A

G
|
G

T
x
I

M

M

G

D

P

G

S

V

G

T

P

P

I

V

Q

A

D

E

T

V

D

S

L

D

R

E

D

L

W

W

N

E

D

R

T

V

L

L

A

A

I

V

N

N

L

L

T

Y

S

S

A

A

F

F

L

Y

G

S

V

S

K

R

Y

A

Q

V

I

I

P

P

A

I

M

M

A

L

A

K

R

Q

G

G

G

K

G

G

S

V

I

I

I

V

F

N

T
|
T

S

A

T
x
S

F

I

V

A

G

G

Y

I

T

R

V

G

G

G

M

F

P

A

G

G

M

-

G

A

A

P

Y
|
Y

A

T

A

V

S

A

K
|
K

A

H

G

G

M

L

I

I

G

G

L

L

T

T

Q

R

V

S

I

I

A

A

E

H

C

Y

G

G

R

D

Q

Q

G

G

I

I

R

R

V

A

N

V

A

A

L

V

L

L

P
|
P

G

G

G

T

T
x
V

D

K

T
|
T

P
x
N

M
x
I

G

G

R

L

A

G

A

S

T

S

A

K

A

P

P
x
S

E

E

-

L

-

G

A

M

R

R

Q

T

F

L

V

T

E

K

N

L

L

M

H

S

A

L

L

S

K

S

R

R

M

L

A

A

E

E

P

P

Q

E

E

D

I

I

A

A

Q

N

S

V

A

I

L

V

Y

F

L

L

A

A

S

S

D

D

A

E

S

A

S

S

F

F

V

V

T

N

G

G

T

D

A

A

L

V

V

V

D

D

G

G

V

L

S

T

I

V

active site: G18 (= G17), S144 (≠ T143), Y157 (= Y157), K161 (= K161), S202 (≠ P202)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), E38 (≠ A37), L39 (≠ R38), R43 (≠ E42), A63 (≠ G62), D64 (= D63), V65 (≠ I64), N91 (= N90), G93 (= G92), I94 (≠ T93), T142 (= T141), S144 (≠ T143), Y157 (= Y157), K161 (= K161), P187 (= P187), V190 (≠ T190), T192 (= T192), N193 (≠ P193), I194 (≠ M194)

8w0oA Gdh-105 crystal structure
36% identity, 98% coverage: 3:251/254 of query aligns to 4:252/259 of 8w0oA

query
sites
8w0oA

Q

D

L

L

A

K

G

G

K

K

V

V

A

V

I

A

I

I

T

T

G
|
G

A

A

S

A

S
|
S

G
|
G

I
x
L

G

G

Y

K

H

A

T

M

A

A

R

I

L

R

F

F

A

G

Q

K

H

E

G

Q

A

A

K

K

L

V

V

V

V

I

T

N

A

Y

-
x
Y

R

S

R

N

I

K

E
x
Q

E

D

L

P

N

N

V

E

L

V

V

K

E

E

Q

E

I

V

R

I

Q

K

E

A

D

G

G

G

V

E

A

A

I

V

A

V

V

V

A

Q

G

G

D
|
D

I
x
V

R

T

N

K

E

E

Q

E

L

D

A

V

Q

K

R

N

L

I

V

V

Q

Q

T

T

A

A

E

I

E

K

R

E

F

F

G

G

G

T

L

L

D

D

I

I

A

M

F

I

N

N

N
|
N

A
|
A

G
|
G

T

L

M

E

G

N

P

P

S

V

G

-

P

P

I

S

Q

H

D

E

T

M

D

P

L

L

R

K

D

D

W

W

N

D

D

K

T

V

L

I

A

G

I

T

N

N

L

L

T

T

S

G

A

A

F

F

L

L

G

G

V

S

K

R

Y

E

Q

A

I

I

P

K

A

Y

M

F

A

V

A

E

R

N

G

D

G

I

G

K

S

G

I

N

I

V

F

I

T

N

S
x
M

T

S

F

S

V

V

G

H

Y

E

T

V

V

I

G

P

M

W

P

P

G

L

M

F

G

V

A

H

Y
|
Y

A

A

S

S

K
|
K

A

G

G

G

M

M

I

K

G

L

L

M

T

T

Q

K

V

T

I

L

A

A

A

L

E

E

C

Y

G

A

R

P

Q

K

G

G

I

I

R

R

V

V

N

N

A

N

L

I

L

G

P
|
P

G
|
G

G

A

T
x
I

D

N

T
|
T

P

T

M

I

G

N

R

A

A

E

A

K

T

F

A

A

A

D

P

P

E

K

A

Q

R

K

Q

A

F

D

V

V

E

E

N

S

L

M

H

I

A

P

L

M

K

G

R

Y

M

I

A

G

E

E

P

P

Q

E

E

E

I

I

A

A

Q

A

S

V

A

A

L

A

Y

W

L

L

A

A

S

S

D

K

A

E

S

A

S

S

F

Y

V

V

T

T

G

G

T

I

A

T

L

L

L

F

V

A

D

D

G

G

V

M

S

T

I

L

binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), L19 (≠ I18), Y39 (vs. gap), Q43 (≠ E41), D65 (= D63), V66 (≠ I64), N92 (= N90), A93 (= A91), G94 (= G92), M143 (≠ S142), Y158 (= Y157), K162 (= K161), P188 (= P187), G189 (= G188), I191 (≠ T190), T193 (= T192)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
36% identity, 98% coverage: 2:250/254 of query aligns to 3:259/261 of 6zzsD

query
sites
6zzsD

K

K

Q

L

L

L

A

D

G

G

K

K

V

V

A

A

I

F

I

I

T

T

G
|
G

A

S

S

A

S
|
S

G
|
G

I
|
I

G

G

Y

L

H

E

T

I

A

A

R

K

L

K

F

F

A

A

Q

Q

H

E

G

G

A

A

K

K

L

V

V

V

V

I

T

S

A
x
D

R
x
M

R

N

I

A

E

E

E

K

L

C

N

Q

V

E

L

T

V

A

E

N

Q

S

I

L

R

K

Q

E

E

Q

D

G

G

F

V

D

A

A

I

L

A

S

V

A

A

P

G

C

D
|
D

I
x
V

R

T

N

D

E

E

Q

D

L

A

A

Y

Q

K

R

Q

L

A

V

I

Q

E

T

L

A

T

E

Q

E

K

R

T

F

F

G

G

G

T

L

V

D

D

I

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

T

-

M

F

G
x
Q

P

H

S

V

G

A

P

P

I

I

Q

E

D

E

T

F

D

P

L

T

R

A

D

V

W

F

N

Q

D

K

T

L

L

V

A

Q

I

V

N

M

L

L

T

T

S

G

A

A

F

F

L

I

G

G

V

I

K

K

Y

H

Q

V

I

L

P

P

A

I

M

M

A

K

A

A

R

Q

G

K

G

Y

G

G

S

R

I

I

F

N

T
x
M

S
x
A

T
x
S

F

I

V
x
N

G

G

Y

L

T

-

V

I

G

G

M

F

P

A

G

G

M
x
K

G

A

A

G

Y
|
Y

A

N

A

S

S

A

K
|
K

A

H

G

G

M

V

I

I

G

G

L

L

T

T

Q

K

V

V

I

A

A

A

A

L

E

E

C

C

G

A

R

R

Q

D

G

G

I

I

R

T

V

V

N

N

A

A

L

L

L

C

P
|
P

G
|
G

G

Y

T
x
V

D

D

T
|
T

P

P

M
x
L

G

V

R

R

A

G

A
x
Q

T

I

A

A

A

D

P

L

E

A

A

K

R

T

Q

R

F

N

V

V

E

S

N

L

L

D

H

S

A

A

L

L

-

E

-

D

-

V

-

I

-

L

-

A

-

M

-

V

-

P

-

Q

K

K

R

R

M

L

A

L

E

S

P

V

Q

E

E

E

I

I

A

A

Q

D

S

Y

A

A

L

I

Y

F

L

L

A

A

S

S

D

S

A

K

S

A

S

G

F

G

V

V

T

T

G

G

T

Q

A

A

L

V

V

M

D

D

G

G

V

Y

S

T

active site: G18 (= G17), S143 (≠ T143), Y156 (= Y157)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (= S16), I19 (= I18), D38 (≠ A37), M39 (≠ R38), D64 (= D63), V65 (≠ I64), N91 (= N90), A92 (= A91), G93 (= G92), M141 (≠ T141), A142 (≠ S142), S143 (≠ T143), Y156 (= Y157), K160 (= K161), P186 (= P187), G187 (= G188), V189 (≠ T190), T191 (= T192), L193 (≠ M194)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ G95), S143 (≠ T143), N145 (≠ V145), K153 (≠ M154), Y156 (= Y157), Q197 (≠ A198)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
36% identity, 98% coverage: 2:250/254 of query aligns to 2:258/260 of 6zzqA

query
sites
6zzqA

K

K

Q

L

L

L

A

D

G

G

K

K

V

V

A

A

I

F

I

I

T

T

G
|
G

A

S

S

A

S
|
S

G
|
G

I
|
I

G

G

Y

L

H

E

T

I

A

A

R

K

L

K

F

F

A

A

Q

Q

H

E

G

G

A

A

K

K

L

V

V

V

V

I

T

S

A
x
D

R
x
M

R

N

I

A

E

E

E

K

L

C

N

Q

V

E

L

T

V

A

E

N

Q

S

I

L

R

K

Q

E

E

Q

D

G

G

F

V

D

A

A

I

L

A

S

V

A

A

P

G

C

D
|
D

I
x
V

R

T

N

D

E

E

Q

D

L

A

A

Y

Q

K

R

Q

L

A

V

I

Q

E

T

L

A

T

E

Q

E

K

R

T

F

F

G

G

G

T

L

V

D

D

I

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

T

-

M

F

G
x
Q

P

H

S

V

G

A

P

P

I

I

Q

E

D

E

T

F

D

P

L

T

R

A

D

V

W

F

N

Q

D

K

T

L

L

V

A

Q

I

V

N

M

L

L

T

T

S

G

A

A

F

F

L

I

G

G

V

I

K

K

Y

H

Q

V

I

L

P

P

A

I

M

M

A

K

A

A

R

Q

G

K

G

Y

G

G

S

R

I

I

F

N

T
x
M

S
x
A

T
x
S

F

I

V

N

G

G

Y

L

T

-

V

I

G

G

M

F

P

A

G

G

M
x
K

G

A

A

G

Y
|
Y

A

N

A

S

S

A

K
|
K

A

H

G

G

M

V

I

I

G

G

L

L

T

T

Q

K

V

V

I

A

A

A

A

L

E

E

C

C

G

A

R

R

Q

D

G

G

I

I

R

T

V

V

N

N

A

A

L

L

L

C

P

P

G

G

G
x
Y

T
x
V

D

D

T
|
T

P

P

M

L

G

V

R

R

A

G

A
x
Q

T

I

A

A

A

D

P

L

E

A

A

K

R

T

Q

R

F

N

V

V

E

S

N

L

L

D

H

S

A

A

L

L

-

E

-

D

-

V

-

I

-

L

-

A

-

M

-

V

-

P

-

Q

K

K

R

R

M

L

A

L

E

S

P

V

Q

E

E

E

I

I

A

A

Q

D

S

Y

A

A

L

I

Y

F

L

L

A

A

S

S

D

S

A

K

S

A

S

G

F

G

V

V

T

T

G

G

T

Q

A

A

L

V

V

M

D

D

G

G

V

Y

S

T

active site: G17 (= G17), S142 (≠ T143), Y155 (= Y157)
binding acetoacetic acid: Q94 (≠ G95), S142 (≠ T143), K152 (≠ M154), Y155 (= Y157), Q196 (≠ A198)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (= S16), G17 (= G17), I18 (= I18), D37 (≠ A37), M38 (≠ R38), D63 (= D63), V64 (≠ I64), N90 (= N90), A91 (= A91), G92 (= G92), M140 (≠ T141), A141 (≠ S142), S142 (≠ T143), Y155 (= Y157), K159 (= K161), Y187 (≠ G189), V188 (≠ T190), T190 (= T192)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
37% identity, 98% coverage: 3:250/254 of query aligns to 4:253/255 of 5itvA

query
sites
5itvA

Q

N

L

L

A

T

G

D

K

K

V

T

A

V

I

L

I

I

T

T

G
|
G

A

G

S

A

S
|
S

G
|
G

I
|
I

G

G

Y

Y

H

A

T

A

A

V

R

Q

L

A

F

F

A

L

Q

G

H

Q

G

Q

A

A

K

N

L

V

V

V

T

A

A
x
D

R
x
I

R

D

I

E

E

A

E

Q

L

G

N

E

V

A

L

M

V

V

E

-

Q

-

I

-

R

R

Q

K

E

E

D

N

G

N

V

D

A

R

I

L

A

H

-

F

V

V

A

Q

G
x
T

D

D

I
|
I

R

T

N

D

E

E

Q

A

L

A

A

C

Q

Q

R

H

L

A

V

V

Q

E

T

S

A

A

E

V

E

H

R

T

F

F

G

G

L

L

D

D

I

V

A

L

F

I

N

N

N
|
N

A

A

G
|
G

T

-

M

I

G

E

P

I

S

V

G

A

P

P

I

I

Q

H

D

E

T

M

D

E

L

L

R

S

D

D

W

W

N

N

D

K

T

V

L

L

A

Q

I

V

N

N

L

L

T

T

S

G

A

M

F

F

L

L

G

M

V

S

K

K

Y

H

Q

A

I

L

P

K

A

H

M

M

A

L

A

A

R

A

G

G

G

K

G

G

S

N

I

I

F

N

T
|
T

S

C

T
x
S

F

-

V

V

G

G

Y

G

T

L

V

V

G

A

M

W

P

P

G

D

M

I

G

P

A

A

Y
|
Y

A

N

A

A

S

S

K
|
K

A

G

G

G

M

V

I

L

G

Q

L

L

T

T

Q

K

V

S

I

M

A

A

A

V

E

D

C

Y

G

A

R

K

Q

H

G

Q

I

I

R

R

V

V

N

N

A

C

L

V

L

C

P
|
P

G
|
G

G
x
I

T
x
I

D

D

T

T

P

P

M

L

G

N

R

E

A

K

A

S

T

F

-

L

-

E

-

N

-

E

-

G

A

T

A

L

P

E

E

E

A

I

R

K

Q

K

F

E

V

K

E

A

N

K

L

V

H

N

A

P

L

L

K

L

R

R

M

L

A

G

E

K

P

P

Q

E

E

E

I

I

A

A

Q

N

S

V

A

M

L

L

Y

F

L

L

A

A

S

S

D

D

A

L

S

S

F

Y

V

M

T

T

G

G

T

S

A

A

L

I

L

T

V

A

D

D

G

G

V

Y

S

T

active site: G18 (= G17), S141 (≠ T143), Y154 (= Y157), K158 (= K161)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (≠ A37), I39 (≠ R38), T61 (≠ G62), I63 (= I64), N89 (= N90), G91 (= G92), T139 (= T141), S141 (≠ T143), Y154 (= Y157), K158 (= K161), P184 (= P187), G185 (= G188), I186 (≠ G189), I187 (≠ T190)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 98% coverage: 1:249/254 of query aligns to 2:242/244 of 4nbuB

query
sites
4nbuB

M

M

K

S

Q

R

L

L

A

Q

G

D

K

K

V

V

A

A

I

I

T

T

G
|
G

A

A

S

A

S
x
N

G
|
G

I
|
I

G

G

Y

L

H

E

T

A

A

A

R

R

L

V

F

F

A

M

Q

K

H

E

G

G

A

A

K

K

L

V

V

V

V

-

T

-

A

-

R

-

I

I

E

A

E
x
D

L
x
F

N

N

V

E

L

A

V

A

-

G

-

K

E

E

Q

A

I

V

R

E

Q

A

E

N

D

P

G

G

V

V

A

-

I

V

A

F

V

I

A

R

G
x
V

D
|
D

I
x
V

R

S

N

D

E

R

Q

E

L

S

A

V

Q

H

R

R

L

L

V

V

Q

E

T

N

A

V

E

A

E

E

R

R

F

F

G

G

G

K

L

I

D

D

I

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

T
x
I

M

T

G

R

P
x
D

S

S

G

-

P

M

I

L

Q

S

D
x
K

T

M

D

T

L

V

R

D

D

Q

W

F

N

Q

D

Q

T

V

L

I

A

N

I

V

N
|
N

L

L

T

T

S

G

A

V

F

F

L

H

G

C

V

T

K

Q

Y

A

Q

V

I

L

P

P

A

Y

M

M

A

A

A

E

R

Q

G

G

G

K

G

G

S

K

I

I

F

N

T
|
T

S

S

T
x
S

F

V

V

T

G

G

Y

-

T

T

V

Y

G

G

M
x
N

P
x
V

G

G

M
x
Q

G

T

A

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

G

G

L

M

T

T

Q

K

V

T

I

W

A

A

A

K

E

E

C

L

G

A

R

R

Q

K

G

G

I

I

R

N

V

V

N

N

A

A

L

V

L

A

P
|
P

G

G

G
x
F

T
|
T

D

E

T
|
T

P

A

M
|
M

G

-

R

-

A

-

A

V

T

A

A

E

A

V

P

P

E

E

A

-

R

-

Q

K

F

V

V

I

E

E

N
x
K

L

M

H

K

A

A

-

Q

-

V

-

P

L

M

K

G

R

R

M

L

A

G

E

K

P

P

Q

E

E

D

I

I

A

A

Q

N

S

A

A

Y

L

L

Y

F

L

L

A

A

S

S

D

H

A

E

S

S

S

D

F

Y

V

V

T

N

G

G

T

H

A

V

L

L

L

H

V

V

D

D

G

G

V

I

active site: G18 (= G17), N111 (= N115), S139 (≠ T143), Q149 (≠ M154), Y152 (= Y157), K156 (= K161)
binding acetoacetyl-coenzyme a: D93 (≠ P96), K98 (≠ D102), S139 (≠ T143), N146 (≠ M151), V147 (≠ P152), Q149 (≠ M154), Y152 (= Y157), F184 (≠ G189), M189 (= M194), K200 (≠ N210)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ S16), G18 (= G17), I19 (= I18), D38 (≠ E42), F39 (≠ L43), V59 (≠ G62), D60 (= D63), V61 (≠ I64), N87 (= N90), A88 (= A91), G89 (= G92), I90 (≠ T93), T137 (= T141), S139 (≠ T143), Y152 (= Y157), K156 (= K161), P182 (= P187), F184 (≠ G189), T185 (= T190), T187 (= T192), M189 (= M194)

8zaxA Crystal structure of a short-chain dehydrogenase from lactobacillus fermentum with NADPH
37% identity, 98% coverage: 3:250/254 of query aligns to 2:244/246 of 8zaxA

query
sites
8zaxA

Q

Q

L

F

A

D

G

N

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

G

S
x
T

S
x
K

G
|
G

I
|
I

G

G

Y

L

H

A

T

I

A

A

R

E

L

L

F

F

A

L

Q

K

H

E

G

G

A

A

K

K

-

G

L

V

V

A

V

F

T

T

A
x
G

R
|
R

R
x
H

I

E

E

D

E

E

L

G

N

K

V

A

L

V

V

Q

E

E

Q

R

I

L

R

G

Q

E

E

R

D

-

G

-

V

-

A

S

I

L

A

F

V

I

A

T

G
x
Q

D
|
D

I
x
V

R

S

N

K

E

E

Q

E

L

D

A

W

Q

Q

R

N

L

A

V

T

Q

K

T

A

A

V

E

V

E

E

R

K

F

F

G

G

G

Q

L

L

D

D

I

A

A

I

F

V

N

N

N
|
N

A
|
A

G

G

T

I

M

G

G

T

P

P

S

L

G

G

P

-

I

I

Q

E

D

E

T

M

D

T

L

L

R

D

D

H

W

W

N

N

D

R

T

E

L

I

A

A

I
|
I

N

D

L

L

T

T

S

G

A

T

F

M

L

L

G

G

V

C

K

K

Y

Y

Q

G

I

V

P

K

A

A

M

M

A

K

A

E

R

H

G

G

G

-

S

A

I

I

I

V

F

N

T

I

S

S

T
x
S

F

I

V

E

G

G

Y

-

T

M

V

I

G

G

M

D

P

P

G

T

M

V

G

P

A

A

Y
|
Y

A

N

A

A

S

A

K
|
K

A

G

G

G

M

V

I

R

G

L

L

L

T

T

Q

K

V

S

I

V

A

A

A

L

E

E

C

C

G

A

R

E