SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SMc00372 FitnessBrowser__Smeli:SMc00372 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
100% identity, 99% coverage: 2:255/256 of query aligns to 1:254/254 of 3toxA

query
sites
3toxA

S

S

R

R

L

L

E

E

G

G

K

K

I

I

A

A

I

I

V

V

T

T

G
|
G

A

A

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

L

L

F

F

A

A

R

R

E

E

G

G

A

A

K

K

V

V

T

T

A
|
A

R
|
R

N
|
N

G

G

N

N

A

A

L

L

A

A

E

E

L

L

T

T

D

D

E

E

I

I

A

A

G

G

E

E

A

A

L

L

A

A

G

G

D

D

V
|
V

G

G

D

D

E

E

A

A

L

L

H

H

E

E

A

A

L

L

V

V

E

E

L

L

A

A

V

V

R

R

F

F

G

G

L

L

D

D

T

T

A

A

F

F

N

N

N
|
N

A
|
A

G
|
G

A

A

L

L

G

G

A

A

M

M

G

G

E

E

I

I

S

S

L

L

S

S

V

V

E

E

G

G

W

W

R

R

E

E

T

T

L

L

D

D

T

T

N

N

L

L

T

T

S

S

A

A

F

F

L

L

A

A

K

K

Y

Y

Q

Q

V

V

P

P

A

A

I

I

A

A

L

L

G

G

S

S

L

L

T

T

F

F

T
|
T

S

S

S
|
S

F

F

V

V

G

G

H

H

T

T

A

A

G

G

F

F

A

A

G

G

V
|
V

A

A

P

P

Y
|
Y

A

A

S

S

K
|
K

A

A

G

G

L

L

I

I

G

G

L

L

V

V

Q

Q

A

A

L

L

A

A

V

V

E

E

L

L

G

G

A

A

R

R

G

G

I

I

R

R

V

V

N

N

A

A

L

L

P
|
P

G

G

G
|
G

T
|
T

D

D

T
|
T

P

P

A

A

N

N

F

F

A

A

N

N

L

L

P

P

G

G

A

A

P

P

E

E

T

T

R

R

G

G

F

F

V

V

E

E

G

G

L

L

H

H

A

A

L

L

K

K

R

R

I

I

A

A

R

R

P

P

E

E

I

I

A

A

E

E

A

A

L

L

Y

Y

L

L

A

A

S

S

D

D

G

G

A

A

S

S

F

F

V

V

T

T

G

G

A

A

L

L

A

A

D

D

G

G

A

A

S

S

V

V

T

T

K

K

active site: G16 (= G17), S142 (= S143), V153 (= V154), 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 (= N39), V63 (= V64), N89 (= N90), A90 (= A91), G91 (= G92), T140 (= T141), S142 (= S143), 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, 97% coverage: 4:252/256 of query aligns to 5:251/261 of 1g6kA

query
sites
1g6kA

L

L

E

E

G

G

K

K

I

V

A

V

I

V

V

I

T

T

G

G

A

S

S

S

S
x
T

G
|
G

I
x
L

G

G

R

K

A

S

A

M

A

A

L

I

L

R

F

F

A

A

R

T

E

E

G

K

A

A

K

K

V

V

T

N

A

Y

R
|
R

N

S

G

K

N

E

A

D

L

E

A

A

E

N

-

S

L

V

T

L

D

E

E

E

I

I

A

K

G

K

G

V

G

G

E

E

A

A

A

I

A

A

L

V

A

K

G

G

D
|
D

V
|
V

G

T

D

V

E

E

A

S

L

D

H

V

E

I

A

N

L

L

V

V

E

Q

L

S

A

A

V

I

R

K

R

E

F

F

G

G

G

K

L

L

D

D

T

V

A

M

F

I

N

N

N
|
N

A
|
A

G
|
G

A

L

L

A

G

N

A

P

M

V

G

S

E

S

I

-

S

H

S

E

L

M

S

S

V

L

E

S

G

D

W

W

R

N

E

K

T

V

L

I

D

D

T

T

N

N

L

L

T

T

S

G

A

A

F

F

L

L

A

G

A

S

K

R

Y

E

Q

A

V

I

P

K

A

Y

I

F

A

V

A

E

L

N

G

D

G

I

G

K

S

G

L

T

T

V

F

I

T

N

S
x
M

S

S

F
x
S

V

V

G

H

H

E

T

K

A

I

G

P

F

W

A

P

G

L

V

F

A

V

P

H

Y
|
Y

A

A

S

S

K
|
K

A

G

G

G

L

M

I

K

G

L

L

M

V

T

Q

E

A

T

L

L

A

A

V

L

E

E

L

Y

G

A

A

P

R

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

P

A

I

N

N

F

A

A

E

N

K

L

F

P

-

G

-

A

A

A

D

P

P

E

E

T

Q

R

R

G

A

F

D

V

V

E

E

G

S

L

M

H

I

A

P

L

M

K

G

R

Y

I

I

A

G

R

E

P

P

E

E

I

I

A

A

E

A

A

V

A

A

L

A

Y

W

L

L

A

A

S

S

D

S

G

E

A

A

S

S

F

Y

V

V

T

T

G

G

A

I

A

T

L

L

L

F

A

A

D

D

G

G

A

M

S

T

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 (= V64), 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, 97% coverage: 4:252/256 of query aligns to 5:251/261 of P40288

query
sites
P40288

L

L

E

E

G

G

K

K

I

V

A

V

I
x
V

V
x
I

T
|
T

G
|
G

A
x
S

S
|
S

S
x
T

G
|
G

I
x
L

G
|
G

R
x
K

A
x
S

A
x
M

A
|
A

L
x
I

L
x
R

F
|
F

A
|
A

R
x
T

E
|
E

G
x
K

A
|
A

K
|
K

V
|
V

V

V

T

N

A

Y

R

R

N

S

G

K

N

E

A

D

L

E

A

A

E

N

-

S

L

V

T

L

D

E

E

E

I

I

A

K

G

K

G

V

G

G

E

E

A

A

A

I

A

A

L

V

A

K

G

G

D

D

V

V

G

T

D

V

E

E

A

S

L

D

H

V

E

I

A

N

L

L

V

V

E

Q

L

S

A

A

V

I

R

K

R

E

F

F

G

G

G

K

L

L

D

D

T

V

A

M

F

I

N

N

A

A

G

G

A

L

L
x
E

G

N

A

P

M

V

G

S

E

S

I

-

S

H

S

E

L

M

S

S

V

L

E

S

G
x
D

W

W

R

N

E

K

T
x
V

L

I

D

D

T

T

N

N

L

L

T

T

S

G

A

A

F

F

L

L

A

G

A

S

K

R

Y

E

Q

A

V

I

P

K

A

Y

I

F

A

V

A
x
E

L

N

G

D

G

I

G

K

S

G

L

T

T

V

F

I

T

N

S

M

S

S

F

S

V

V

G

H

H

E

T

K

A

I

G

P

F

W

A

P

G

L

V

F

A

V

P

H

Y

Y

A

A

S

S

K

K

A

G

G

G

L

M

I

K

G

L

L

M

V

T

Q

E

A

T

L

L

A

A

V

L

E

E

L

Y

G

A

A

P

R

K

G

G

I

I

R

R

V
|
V

N

N

A

N

L

I

L

G

P

P

G

G

G

A

T

I

D

N

T

T

P
|
P

A

I

N

N

F

A

A

E

N

K

L

F

P

-

G

-

A

A

A

D

P

P

E

E

T

Q

R

R

G

A

F

D

V

V

E
|
E

G

S

L

M

H

I

A

P

L

M

K

G

R
x
Y

I

I

A

G

R

E

P

P

E

E

I

I

A

A

E

A

A

V

A

A

L

A

Y

W

L

L

A

A

S

S

D

S

G

E

A

A

S

S

F

Y

V

V

T

T

G

G

A

I

A

T

L

L

L

F

A

A

D

D

G

G

A

M

S

T

11:35 (vs. 10:34, 52% identical) binding
E96 (≠ L94) mutation E->A,G,K: Heat stable.
D108 (≠ G107) 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 (= E211) mutation to K: Heat stable.
Y217 (≠ R218) 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.

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
40% identity, 96% coverage: 4:250/256 of query aligns to 3:244/248 of 4urfB

query
sites
4urfB

L

L

E

E

G

G

K

K

I

T

A

A

I

L

V

V

T

T

G
|
G

A

A

S
x
G

S
x
N

G
|
G

I
|
I

G

G

R

R

A

T

A

I

A

A

L

L

L

T

F

Y

A

A

R

A

E

E

G

G

A

A

K

N

V

V

T

S

A
x
D

R
x
I

N

S

G

D

N

E

A

W

L

G

A

R

E

E

L

T

T

L

D

A

E

L

I

I

A

E

G

G

G

K

G

G

E

K

A

A

A

V

A

F

L

Q

A

H

G

A

D
|
D

V
x
T

G

A

D

H

E

P

A

E

L

D

H

H

E

D

A

E

L

L

V

I

E

A

L

A

A

A

V

K

R

R

R

A

F

F

G

G

G

R

L

L

D

D

T

I

A

A

F

C

N

N

N
|
N

A
|
A

G
|
G

A
x
I

L

S

G
|
G

A

E

M

F

G

T

E

P

I

T

S

A

S

E

L

T

S

T

V

D

E

A

G

Q

W

W

R

Q

E
x
R

T

V

L

I

D

G

T

I

N

N

L

L

T

S

S

G

A

V

F

F

L

Y

A

G

A

V

K

R

Y

A

Q

Q

V

I

P

R

A

A

I

M

A

L

A

E

L

T

G

G

S

A

L

I

T

V

F

N

T
x
I

S

S

S
|
S

F

I

V

A

G

G

H

Q

T

I

A

-

G

G

F

I

A

E

G

G

V
x
I

A

T

P

P

Y
|
Y

A

T

A

A

S

A

K
|
K

A

H

G

G

L

V

I

V

G

G

L

L

V

T

Q

K

A

T

L

V

A

A

V

W

E

E

L

Y

G

G

A

S

R

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

A

L

N

-

F

V

A

Q

N

N

L

V

P

P

G

-

A

-

P

L

E

E

T

T

R

R

G

R

F

Q

V

L

E

E

G

Q

L

M

H

H

A

A

L
|
L

K
x
R

R
|
R

I

L

A

G

R

E

P

T

E

E

I

V

A

A

E

N

A

L

A

V

L

A

Y

W

L

L

A

S

S
|
S

D

D

G

K

A

A

S

S

F

F

V

V

T

T

G

G

A

S

A

Y

L

Y

L

A

A

V

D

D

G

G

active site: G16 (= G17), S142 (= S143), I152 (≠ V154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (= L216), R211 (≠ K217), R212 (= R218)
binding bicarbonate ion: I92 (≠ A93), G94 (= G95), R109 (≠ E110), R179 (= R181), S228 (= S234)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ S16), G16 (= G17), I17 (= I18), D36 (≠ A37), I37 (≠ R38), D62 (= D63), T63 (≠ V64), 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)
40% identity, 96% coverage: 4:250/256 of query aligns to 3:244/248 of 4urfA

query
sites
4urfA

L

L

E

E

G

G

K

K

I

T

A

A

I

L

V

V

T

T

G
|
G

A

A

S
x
G

S
x
N

G
|
G

I
|
I

G

G

R

R

A

T

A

I

A

A

L

L

L

T

F

Y

A

A

R

A

E

E

G

G

A

A

K

N

V

V

T

S

A
x
D

R
x
I

N

S

G

D

N

E

A
x
W

L

G

A

R

E

E

L

T

T

L

D

A

E

L

I

I

A

E

G

G

G

K

G

G

E

K

A

A

A

V

A

F

L

Q

A

H

G

A

D
|
D

V
x
T

G

A

D

H

E

P

A

E

L

D

H

H

E

D

A

E

L

L

V

I

E

A

L

A

A

A

V

K

R

R

R

A

F

F

G

G

G

R

L

L

D

D

T

I

A

A

F

C

N

N

N
|
N

A
|
A

G
|
G

A
x
I

L
x
S

G
|
G

A
x
E

M

F

G
x
T

E

P

I

T

S

A

S
x
E

L

T

S
x
T

V

D

E

A

G
x
Q

W

W

R

Q

E
x
R

T

V

L

I

D

G

T

I

N

N

L

L

T

S

S

G

A

V

F

F

L

Y

A

G

A

V

K

R

Y

A

Q

Q

V

I

P

R

A

A

I

M

A

L

A

E

L

T

G

G

S

A

L

I

T

V

F

N

T
x
I

S

S

S
|
S

F

I

V

A

G

G

H

Q

T

I

A

-

G

G

F

I

A

E

G

G

V
x
I

A

T

P

P

Y
|
Y

A

T

A

A

S

A

K
|
K

A

H

G

G

L

V

I

V

G

G

L

L

V

T

Q

K

A

T

L

V

A

A

V

W

E

E

L

Y

G

G

A
x
S

R

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

A

L

N

-

F

V

A

Q

N

N

L

V

P

P

G

-

A

-

P

L

E

E

T

T

R

R

G

R

F

Q

V

L

E

E

G

Q

L

M

H

H

A

A

L

L

K

R

R

R

I

L

A

G

R

E

P

T

E

E

I

V

A

A

E

N

A

L

A

V

L

A

Y

W

L

L

A

S

S

S

D

D

G

K

A

A

S

S

F

F

V

V

T

T

G

G

A
x
S

A
x
Y

L

Y

L

A

A

V

D

D

G

G

active site: G16 (= G17), S142 (= S143), I152 (≠ V154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (≠ A93), S93 (≠ L94), G94 (= G95), E95 (≠ A96), T97 (≠ G98), E101 (≠ S102), T103 (≠ S104), Q106 (≠ G107), R109 (≠ E110), S175 (≠ A177), G177 (= G179)
binding magnesium ion: S237 (≠ A243), Y238 (≠ A244)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ S16), G16 (= G17), I17 (= I18), D36 (≠ A37), I37 (≠ R38), W41 (≠ A42), D62 (= D63), T63 (≠ V64), 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)
40% identity, 96% coverage: 4:250/256 of query aligns to 3:244/248 of 4ureB

query
sites
4ureB

L

L

E

E

G

G

K

K

I

T

A

A

I

L

V

V

T

T

G

G

A

A

S

G

S
x
N

G
|
G

I
|
I

G

G

R

R

A

T

A

I

A

A

L

L

L

T

F

Y

A

A

R

A

E

E

G

G

A

A

K

N

V

V

T

S

A

D

R

I

N

S

G

D

N

E

A

W

L

G

A

R

E

E

L

T

T

L

D

A

E

L

I

I

A

E

G

G

G

K

G

G

E

K

A

A

A

V

A

F

L

Q

A

H

G

A

D

D

V

T

G

A

D

H

E

P

A

E

L

D

H

H

E

D

A

E

L

L

V

I

E

A

L

A

A

A

V

K

R

R

R

A

F

F

G

G

G

R

L

L

D

D

T

I

A

A

F

C

N

N

N
|
N

A

A

G
|
G

A

I

L

S

G

G

A

E

M

F

G

T

E

P

I

T

S

A

S

E

L

T

S

T

V

D

E

A

G

Q

W

W

R

Q

E

R

T

V

L

I

D

G

T

I

N

N

L

L

T

S

S

G

A

V

F

F

L

Y

A

G

A

V

K

R

Y

A

Q

Q

V

I

P

R

A

A

I

M

A

L

A

E

L

T

G

G

S

A

L

I

T

V

F

N

T

I

S

S

S
|
S

F

I

V

A

G

G

H

Q

T

I

A

-

G

G

F

I

A

E

G

G

V
x
I

A

T

P

P

Y
|
Y

A

T

A

A

S

A

K
|
K

A

H

G

G

L

V

I

V

G

G

L

L

V

T

Q

K

A

T

L

V

A

A

V

W

E

E

L

Y

G

G

A

S

R

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

A

L

N

-

F

V

A

Q

N

N

L

V

P

P

G

-

A

-

P

L

E

E

T

T

R

R

G

R

F

Q

V

L

E

E

G

Q

L

M

H

H

A

A

L

L

K

R

R

R

I

L

A

G

R

E

P

T

E

E

I

V

A

A

E

N

A

L

A

V

L

A

Y

W

L

L

A

S

S

S

D

D

G

K

A

A

S

S

F

F

V

V

T

T

G

G

A

S

A

Y

L

Y

L

A

A

V

D

D

G

G

active site: G16 (= G17), S142 (= S143), I152 (≠ V154), 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)

3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
37% identity, 98% coverage: 2:252/256 of query aligns to 9:257/267 of 3ay6B

query
sites
3ay6B

S

T

R

D

L

L

E

K

G

D

K

K

I

V

A

V

I

V

V

I

T

T

G
|
G

A

G

S

S

S
x
T

G
|
G

I
x
L

G

G

R

R

A

A

A

M

A

A

L

V

L

R

F

F

A

G

R

Q

E

E

G

E

A

A

K

K

V

V

V

I

T

N

A

Y

R
x
Y

N

N

G

N

N

E

A

E

L

E

A

A

-

L

E

D

L

A

T

K

D

K

E

E

I

V

A

E

G

E

G

A

G

G

E

Q

A

A

A

I

L

V

A

Q

G

G

D
|
D

V
|
V

G

T

D

K

E

E

A

E

L

D

H

V

E

V

A

N

L

L

V

V

E

Q

L

T

A

A

V

I

R

K

R

E

F

F

G

G

G

T

L

L

D

D

T

V

A

M

F

I

N

N

N
|
N

A
|
A

G
|
G

A
x
V

L
x
E

G

N

A

P

M

V

G

P

E

S

I

-

S

H

S

E

L

L

S

S

V

L

E

D

G

N

W

W

R

N

E

K

T

V

L

I

D

D

T

T

N

N

L

L

T

T

S

G

A

A

F

F

L

L

A

G

A

S

K

R

Y

E

Q

A

V

I

P

K

A

Y

I

F

A

V

A

E

-

N

-

D

L

I

G

K

G

G

G

N

S

V

L

I

T

N

F
x
M

T

S

S
|
S

S

-

F

-

V

V

G
x
H

H

E

T

M

A

I

G

P

F
x
W

A

P

G

L

V

F

A

V

P

H

Y
|
Y

A

A

S

S

K
|
K

A

G

G

G

L

M

I

K

G

L

L

M

V

T

Q

E

A

T

L

L

A

A

V

L

E

E

L

Y

G

A

A

P

R

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
M

D

N

T
|
T

P
|
P

A
x
I

N
|
N

F

A

A

E

N
x
K

L

F

P

-

G

-

A

A

A

D

P

P

E

V

T

Q

R

R

G

A

F

D

V

V

E

E

G

S

L

M

H

I

A

P

L

M

K

G

R

Y

I

I

A

G

R

K

P

P

E

E

I

V

A

A

E

A

A

V

A

A

L

A

Y

F

L

L

A

A

S

S

D

S

G

Q

A

A

S

S

F

Y

V

V

T

T

G

G

A

I

A

T

L

L

L

F

A

A

D

D

G

G

A

M

S

T

active site: G24 (= G17), S151 (= S142), Y164 (= Y157), K168 (= K161)
binding beta-D-glucopyranose: E102 (≠ L94), S151 (= S142), H153 (≠ G146), W158 (≠ F151), Y164 (= Y157), N202 (= N195), K205 (≠ N198)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G13), T23 (≠ S16), G24 (= G17), L25 (≠ I18), Y45 (≠ R38), D71 (= D63), V72 (= V64), N98 (= N90), A99 (= A91), G100 (= G92), V101 (≠ A93), M149 (≠ F140), S151 (= S142), Y164 (= Y157), K168 (= K161), P194 (= P187), G195 (= G188), M197 (≠ T190), T199 (= T192), P200 (= P193), I201 (≠ A194), N202 (= N195)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
36% identity, 98% coverage: 4:253/256 of query aligns to 5:253/254 of 4fn4A

query
sites
4fn4A

L

L

E

K

G

N

K

K

I

V

A

V

I

I

V

V

T

T

G
|
G

A

A

S

G

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

A

I

A

A

L

K

F

F

A

A

R

L

E

N

G

D

A

S

K

I

V

V

V

A

T

V

A
x
E

R
x
L

N

L

G

E

N

D

A
x
R

L

L

A

N

E

Q

L

I

T

V

D

Q

E

E

I

L

A

R

G

G

G

M

G

G

G

K

E

E

A

V

A

L

A

G

L

V

A

K

G
x
A

D
|
D

V
|
V

G

S

D

K

E

K

A

K

L

D

H

V

E

E

A

E

L

F

V

V

E

R

L

R

A

T

V

F

R

E

R

T

F

Y

G

S

G

R

L

I

D

D

T

V

A

L

F

C

N

N

N
|
N

A

A

G
|
G

A
x
I

L

M

G

D

A

G

M

V

G

T

E

P

I

V

S

A

S

E

L

V

S

S

V

D

E

E

G

L

W

W

R

E

E

R

T

V

L

L

D

A

T

V

N

N

L

L

T

Y

S

S

A

A

F

F

L

Y

A

S

K

R

Y

A

Q

V

V

I

P

P

A

I

I

M

A

L

A

K

L

Q

G

G

G

K

G

G

S

V

L

I

T

V

F

N

T
|
T

S

A

S
|
S

F

I

V

A

G

G

H

I

T

R

A

G

G

G

F

F

A

A

G

G

V

-

A

A

P

P

Y
|
Y

A

T

A

V

S

A

K
|
K

A

H

G

G

L

L

I

I

G

G

L

L

V

T

Q

R

A

S

L

I

A

A

V

A

E

H

L

Y

G

G

A

D

R

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

A
x
I

N

G

F

L

A

G

N

S

L

S

P

K

G

P

A
x
S

A

E

P

L

E

G

T

M

R

R

G

T

F

L

V

T

E

K

G

L

L

M

H

S

A

L

L

S

K

S

R

R

I

L

A

A

R

E

P

P

E

E

E

D

I

I

A

A

E

N

A

V

A

I

L

V

Y

F

L

L

A

A

S

S

D

D

G

E

A

A

S

S

F

F

V

V

T

N

G

G

A

D

A

A

L

V

A

V

D

D

G

G

A

L

S

T

V

V

active site: G18 (= G17), S144 (= S143), Y157 (= Y157), K161 (= K161), S202 (≠ A202)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), E38 (≠ A37), L39 (≠ R38), R43 (≠ A42), A63 (≠ G62), D64 (= D63), V65 (= V64), N91 (= N90), G93 (= G92), I94 (≠ A93), T142 (= T141), S144 (= S143), Y157 (= Y157), K161 (= K161), P187 (= P187), V190 (≠ T190), T192 (= T192), N193 (≠ P193), I194 (≠ A194)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 98% coverage: 1:250/256 of query aligns to 2:241/244 of 4nbuB

query
sites
4nbuB

M

M

S

S

R

R

L

L

E

Q

G

D

K

K

I

V

A

A

I

I

V

I

T

T

G
|
G

A

A

S

A

S
x
N

G
|
G

I
|
I

G

G

R

L

A

E

A

A

L

R

L

V

F

F

A

M

R

K

E

E

G

G

A

A

K

K

V

V

V

I

T

A

A
x
D

R
x
F

N

N

G

E

N

A

A

A

L

G

A

K

E

E

L

A

T

V

D

E

E

A

I

N

A

P

G

G

G

-

E

-

A

V

A

F

L

I

A

R

G
x
V

D
|
D

V
|
V

G

S

D

D

-

R

E

E

A

S

L

V

H

H

E

R

A

-

L

L

V

V

E

E

L

N

A

V

V

A

R

E

R

R

F

F

G

G

G

K

L

I

D

D

T

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

A

-

L
x
I

G

T

A

R

M
x
D

G

S

E

M

I

L

S

S

S
x
K

L

M

S

T

V

V

E

D

G

Q

W

F

R

Q

E

Q

T

V

L

I

D

N

T

V

N
|
N

L

L

T

T

S

G

A

V

F

F

L

H

A

C

A

T

K

Q

Y

A

Q

V

V

L

P

P

A

Y

I

M

A

A

A

E

L

Q

G

G

G

K

G

G

S

K

L

I

T

I

F

N

T
|
T

S

S

S
|
S

F

V

V

T

G

G

H

-

T

T

A

Y

G

G

F
x
N

A
x
V

G

G

V
x
Q

A

T

P

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

L

V

I

I

G

G

L

M

V

T

Q

K

A

T

L

W

A

A

V

K

E

E

L

L

G

A

A

R

R

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

A

N
x
M

F

V

A

A

N

E

L

V

P

P

G

E

A

K

A

V

P

I

E

E

T
x
K

R

-

G

-

F

-

V

M

E

K

G

A

L

Q

H

V

A

P

L

M

K

G

R

R

I

L

A

G

R

K

P

P

E

E

E

D

I

I

A

A

E

N

A

A

A

Y

L

L

Y

F

L

L

A

A

S

S

D

H

G

E

A

S

S

D

F

Y

V

V

T

N

G

G

A

H

A

V

L

L

L

H

A

V

D

D

G

G

active site: G18 (= G17), N111 (= N115), S139 (= S143), Q149 (≠ V154), Y152 (= Y157), K156 (= K161)
binding acetoacetyl-coenzyme a: D93 (≠ M97), K98 (≠ S102), S139 (= S143), N146 (≠ F151), V147 (≠ A152), Q149 (≠ V154), Y152 (= Y157), F184 (≠ G189), M189 (≠ N195), K200 (≠ T206)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ S16), G18 (= G17), I19 (= I18), D38 (≠ A37), F39 (≠ R38), V59 (≠ G62), D60 (= D63), V61 (= V64), N87 (= N90), A88 (= A91), G89 (= G92), I90 (≠ L94), T137 (= T141), S139 (= S143), Y152 (= Y157), K156 (= K161), P182 (= P187), F184 (≠ G189), T185 (= T190), T187 (= T192), M189 (≠ N195)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
36% identity, 97% coverage: 4:252/256 of query aligns to 3:246/248 of 6ixmC

query
sites
6ixmC

L

L

E

D

G

N

K

K

I

V

A

A

I

L

V

V

T

T

G
|
G

A

A

S

G

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

A

V

A

A

L

H

L

S

F

Y

A

A

R

K

E

E

G

G

A

A

K

K

V

V

V

I

V

V

T

S

A
x
D

R
x
I

N

N

G

E

N

D

A

H

L

G

A

N

E

K

L

A

T

V

D

E

E

D

I

I

A

K

G

A

G

Q

G

G

E

E

A

A

A

S

A

F

L

V

A

K

G
x
A

D
|
D

V
x
T

G

S

D

N

E

P

A

E

L

E

H

V

E

E

A

A

L

L

V

V

E

K

L

R

A

T

V

V

R

E

R

I

F

Y

G

G

G

R

L

L

D

D

T

I

A

A

F

C

N

N

N
|
N

A
|
A

G

G

A

I

L

G

G

G

A

E

M

Q

G

A

E

L

I

A

S

G

S

D

L

Y

S

G

V

L

E

D

G

S

W

W

R

R

E

K

T

V

L

L

D

S

T

I

N

N

L

L

T

D

S

G

A

V

F

F

L

Y

A

G

A

C

K

K

Y

Y

Q

E

V

L

P

E

A

Q

I

M

A

E

A

K

L

N

G

G

S

V

L

I

T

V

F

N

T
x
M

S

A

S
|
S

F

I

V

H

G

G

H

I

T

V

A

A

G

A

F

P

A

L

G

S

V

S

A

A

P

-

Y
|
Y

A

T

A

S

S

A

K
|
K

A

H

G

A

L

V

I

V

G

G

L

L

V

T

Q

K

A

N

L

I

A

G

V

A

E

E

L

Y

G

G

A

Q

R

K

G

N

I

I

R

R

V

C

N

N

A

A

L

V

L

G

P
|
P

G
x
A

G
x
Y

T
x
I

D

E

T

T

P

P

A
x
L

N

-

F

-

A

-

N

-

L

L

P

E

G

S

A

L

A

T

P

K

E

E

T

M

R

K

G

E

F

A

V

L

E

I

G

S

L

K

H

H

A

P

L

M

K

G

R

R

I

L

A

G

R

K

P

P

E

E

I

V

A

A

E

E

A

L

A

V

L

L

Y

F

L

L

A

S

S

S

D

E

G

K

A

S

S

S

F

F

V

M

T

T

G

G

A

G

A

Y

L

Y

L

L

A

V

D

D

G

G

A

Y

S

T

active site: G16 (= G17), S142 (= S143), 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 (≠ V64), N89 (= N90), A90 (= A91), M140 (≠ T141), S142 (= S143), Y155 (= Y157), K159 (= K161), P185 (= P187), A186 (≠ G188), Y187 (≠ G189), I188 (≠ T190), L192 (≠ A194)

6zyzA Structure of the borneol dehydrogenases of salvia rosmarinus with NAD+ (see paper)
39% identity, 99% coverage: 3:255/256 of query aligns to 2:250/259 of 6zyzA

query
sites
6zyzA

R

R

L

L

E

E

G

G

K

K

I

V

A

A

I

I

V

V

T

T

G
|
G

A

G

S

A

S
|
S

G
|
G

I
|
I

G

G

R

A

A

S

A

T

A

V

L

R

L

L

F

F

A

H

R

D

E

H

G

G

A

A

K

K

V

V

V

I

T

A

A
x
D

R
x
I

N
x
Q

G

D

N

D

A

L

L

G

A

Q

E

T

L

L

T

A

D

D

E

R

I

L

A

-

G

-

G

G

G

R

E

N

A

I

A

S

A

Y

L

T

A

H

G
x
C

D
|
D

V
|
V

G

T

D

D

E

E

A

D

L

Q

H

V

E

R

A

A

L

L

V

V

E

D

L

A

A

A

V

V

R

A

R

K

F

H

G

G

L

V

D

D

T

I

A

M

F

F

N

S

N
|
N

A
|
A

G

G

A

I

L
x
V

G

E

A

G

M
x
P

G
x
N

E
x
S

I

I

S

F

S
x
D

L

V

S

D

V

K

E

D

G

E

W

L

R

E

E

R

T

L

L

M

D

G

T
x
I

N

N

L

L

T

V

S

G

A

A

F

F

L

L

A

A

K

K

Y

H

Q

A

V

A

P

R

A

V

I

M

A

V

A

P

L

A

G

K

G

G

S

C

L

I

T

I

F

F

T
|
T

S

A

S

S

F

A

V

C

G

T

H

E

T

I

A

A

G

G

F

I

A

A

G

G

V

-

A

H

P

S

Y
|
Y

A

T

A

A

S

S

K
|
K

A

Y

G

G

L

I

I

V

G

G

L

L

V

M

Q

K

A

S

L

L

A

A

V

V

E

E

L

L

G

G

A

S

R

H

G

G

I

I

R

R

V

A

N

N

A

C

L

V

L

S

P

P

G

-

T

-

D

-

T

-

P

-

A

-

N

-

F

F

A

G

N
x
V

L

L

P

T

G

G

A

I

A

V

P

P

E

D

-

D

-

E

-

A

T

S

R

K

G

L

F

M

V

F

E

E

G

G

L

I

H

M

A

S

-

K

-

V

-

G

-

N

L

L

K

K

-

G

R

K

I

I

A

L

R

T

P

A

E

E

E

D

I

V

A

A

E

V

A

T

A

V

L

L

Y

Y

L

L

A

A

S

S

D

E

G

E

A

A

S

S

F

Y

V

V

T

S

G

G

A

V

A

N

L

L

A

V

D

D

G

G

A

Y

S

T

V

V

T

V

K

N

binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (= S16), G16 (= G17), I17 (= I18), D36 (≠ A37), I37 (≠ R38), Q38 (≠ N39), C58 (≠ G62), D59 (= D63), V60 (= V64), N86 (= N90), A87 (= A91), V90 (≠ L94), I110 (≠ T114), T137 (= T141), Y152 (= Y157), K156 (= K161), V185 (≠ N198)
binding (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol: P93 (≠ M97), N94 (≠ G98), S95 (≠ E99), D98 (≠ S102)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
35% identity, 98% coverage: 3:252/256 of query aligns to 4:253/255 of 5itvA

query
sites
5itvA

R

N

L

L

E

T

G

D

K

K

I

T

A

V

I

L

V

I

T

T

G
|
G

A

G

S

A

S
|
S

G
|
G

I
|
I

G

G

R

Y

A

A

A

V

L

Q

L

A

F

F

A

L

R

G

E

Q

G

Q

A

A

K

N

V

V

T

A

A

-

R

-

N

-

G

-

N

-

A

-

L

-

A

-

E

-

L

-

T

-

D

-

E
x
D

I
|
I

A

D

G

E

G

A

G

Q

G

G

E

E

A

A

A

M

A

V

-

R

-

K

-

E

-

N

-

D

-

R

-

L

-

H

-

F

L

V

A

Q

G
x
T

D

D

V
x
I

G

T

D

D

E

E

A

A

L

A

H

C

E

Q

A

H

L

A

V

V

E

E

L

S

A

A

V

V

R

H

R

T

F

F

G

G

L

L

D

D

T

V

A

L

F

I

N

N

N
|
N

A

A

G
|
G

A

-

L

I

G

E

A

I

M

V

G

A

E

P

I

I

S

H

S

E

L

M

S

E

V

L

E

S

G

D

W

W

R

N

E

K

T

V

L

L

D

Q

T

V

N

N

L

L

T

T

S

G

A

M

F

F

L

L

A

M

A

S

K

K

Y

H

Q

A

V

L

P

K

A

H

I

M

A

L

A

A

L

A

G

G

G

K

G

G

S

N

L

I

T

I

F

N

T
|
T

S

C

S
|
S

F

-

V

V

G

G

H

G

T

L

A

V

G

A

F

W

A

P

G

D

V

I

A

P

P

A

Y
|
Y

A

N

A

A

S

S

K
|
K

A

G

G

G

L

V

I

L

G

Q

L

L

V

T

Q

K

A

S

L

M

A

A

V

V

E

D

L

Y

G

A

A

K

R

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

A

L

N

N

-

E

-

K

-

S

-

F

F

L

A

E

N

N

L

N

P

E

G

G

A

T

A

L

P

E

E

E

T

I

R

K

G

K

F

E

V

K

E

A

G

K

L

V

H

N

A

P

L

L

K

L

R

R

I

L

A

G

R

K

P

P

E

E

I

I

A

A

E

N

A

V

A

M

L

L

Y

F

L

L

A

A

S

S

D

D

G

L

A

S

S

S

F

Y

V

M

T

T

G

G

A

S

A

A

L

I

L

T

A

A

D

D

G

G

A

Y

S

T

active site: G18 (= G17), S141 (= S143), Y154 (= Y157), K158 (= K161)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), S17 (= S16), G18 (= G17), I19 (= I18), D38 (≠ E49), I39 (= I50), T61 (≠ G62), I63 (≠ V64), N89 (= N90), G91 (= G92), T139 (= T141), S141 (= S143), Y154 (= Y157), K158 (= K161), P184 (= P187), G185 (= G188), I186 (≠ G189), I187 (≠ T190)

7v1qA Leifsonia alcohol dehydrogenases lnadh (see paper)
44% identity, 95% coverage: 7:250/256 of query aligns to 9:247/251 of 7v1qA

query
sites
7v1qA

K

R

I

S

A

A

I

I

V

V

T

T

G
|
G

A

G

S

G

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

A

V

A

A

L

L

L

T

F

L

A

A

R

A

E

S

G

G

A

A

K

A

V

V

V

L

V

V

T

T

A
x
D

R
x
L

N

N

G

E

N

E

A

H

L

A

A

Q

E

A

L

V

T

V

D

A

E

E

I

I

A

E

G

A

G

G

E

K

A

A

L

L

A

A

G

G

D
|
D

V
|
V

G

T

D

D

E

P

A

A

L

F

H

G

E

E

A

A

L

S

V

V

E

A

L

A

A

A

V

N

R

A

R

L

F

-

G

A

G

P

L

L

D

K

T

I

A

A

F

V

N

N

N
|
N

A

A

G

G

A

I

L

G

G

G

A

E

M

A

G

A

E

T

I

V

S

G

S

D

L

Y

S

S

V

L

E

D

G

S

W

W

R

R

E

K

T

V

L

I

D

E

T

V

N

N

L

L

T

N

S

A

A

V

F

F

L

Y

A

G

A

M

K

Q

Y

P

Q

Q

V

L

P

K

A

A

I

M

A

A

L

N

G

G

S

A

L

I

T

V

F

N

T
x
M

S

A

S

S

F

I

V

L

G

G

H

-

T

S

A

V

G

G

F

F

A

A

G

N

V

S

A

S

P

A

Y
|
Y

A

V

A

T

S

A

K
|
K

A

H

G

A

L

L

I

L

G

G

L

L

V

T

Q

Q

A

N

L

A

A

A

V

L

E

E

L

Y

G

A

A

A

R

D

G

K

I

V

R

R

V

V

N

V

A

A

L

V

L

G

P
|
P

G
|
G

G
x
F

T
x
I

D

R

T

T

P

P

A

L

N

V

F

E

A

A

N

N

L

L

P

-

G

-

A

-

A

S

P

A

E

E

T

A

R

L

G

A

F

F

V

L

E

E

G

G

L

K

H

H

A

A

L

L

K

G

R

R

I

L

A

G

R

E

P

P

E

E

I

V

A

A

E

S

A

L

A

V

L

A

Y

F

L

L

A

A

S

S

D

D

G

A

A

A

S

S

F

F

V

I

T

T

G

G

A

S

A

Y

L

H

L

L

A

V

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G15 (= G13), S18 (= S16), G19 (= G17), I20 (= I18), D39 (≠ A37), L40 (≠ R38), D65 (= D63), V66 (= V64), N91 (= N90), M142 (≠ T141), Y157 (= Y157), K161 (= K161), P187 (= P187), G188 (= G188), F189 (≠ G189), I190 (≠ T190)

5h5xC Crystal structure of nadh bound carbonyl reductase from streptomyces coelicolor
43% identity, 95% coverage: 6:249/256 of query aligns to 13:252/257 of 5h5xC

query
sites
5h5xC

G

G

K

R

I

T

A

A

I

L

V

V

T

T

G
|
G

A

A

S

A

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

A

T

A

A

L

R

F

L

A

G

R

A

E

G

G

G

A

A

K

R

V

V

T

A

A
x
D

R
x
F

N

N

G

A

N

E

A

G

L

A

A

E

E

K

L

A

T

A

D

A

E

E

I

L

A

R

G

A

G

G

G

V

E

E

A

A

L

V

A

E

G
x
L

D
|
D

V

V

G

T

D

R

E

P

A

E

L

S

H

V

E

E

A

A

L

A

V

V

E

G

L

F

A

A

V

V

R

D

R

T

F

F

G

G

G

S

L

L

D

D

T

L

A

A

F

V

N

N

N
|
N

A
|
A

G

G

A

I

L

G

G

G

A

P

M

S

G

A

E

P

I

T

S

G

S

E

L

Y

S

D

V

V

E

A

G

A

W

Y

R

Q

E

R

T

V

L

V

D

R

T

T

N

N

L

L

T

D

S

G

A

V

F

F

L

Y

A

S

A

M

K

R

Y

Y

Q

E

V

L

P

P

A

A

I

I

A

E

A

A

L

A

G

G

-

K

G

G

S

S

L

I

T

V

F

N

T

V

S

A

S
|
S

F

I

V

L

G

G

H

-

T

S

A

V

G

G

F

F

A

A

G

G

V

S

A

P

P

A

Y
|
Y

A

V

A

A

S

A

K
|
K

A

H

G

G

L

V

I

V

G

G

L

L

V

T

Q

K

A

A

L

A

A

A

V

A

E

E

L

Y

G

A

A

A

R

R

G

G

I

I

R

R

V

I

N

N

A

A

L

V

L

G

P
|
P

G
|
G

G

F

T
x
I

D

D

T
|
T

P

P

A

L

N

-

F

L

A

K

N

T

L

M

P

E

G

E

A

A

P

-

E

-

T

Y

R

K

G

G

F

L

V

V

E

-

G

A

L

L

H

H

A

P

L

A

K

G

R

R

I

L

A

G

R

R

P

S

E

D

E

E

I

V

A

A

E

E

A

L

A

I

L

V

Y

F

L

L

A

L

S

S

D

D

G

R

A

A

S

S

F

F

V

V

T

A

G

G

A

S

A

Y

L

H

L

L

A

V

D

D

G

G

active site: G24 (= G17), S151 (= S143), Y164 (= Y157), K168 (= K161)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G13), S23 (= S16), G24 (= G17), I25 (= I18), D44 (≠ A37), F45 (≠ R38), L69 (≠ G62), D70 (= D63), N97 (= N90), A98 (= A91), Y164 (= Y157), K168 (= K161), P194 (= P187), G195 (= G188), I197 (≠ T190), T199 (= T192)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
35% identity, 97% coverage: 4:252/256 of query aligns to 4:258/260 of 6zzqA

query
sites
6zzqA

L

L

E

D

G

G

K

K

I

V

A

A

I

F

V

I

T

T

G
|
G

A

S

S

A

S
|
S

G
|
G

I
|
I

G

G

R

L

A

E

A

I

A

A

L

K

F

F

A

A

R

Q

E

E

G

G

A

A

K

K

V

V

V

I

T

S

A
x
D

R
x
M

N

N

G

A

N

E

A

K

L

C

A

Q

E

E

L

T

T

A

D

N

E

S

I

L

A

K

G

E

G

Q

G

G

G

F

E

D

A

A

A

L

A

S

L

A

A

P

G

C

D
|
D

V
|
V

G

T

D

D

E

E

A

D

L

A

H

Y

E

K

A

Q

L

A

V

I

E

E

L

L

A

T

V

Q

R

K

R

T

F

F

G

G

G

T

L

V

D

D

T

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

A

-

L

F

G
x
Q

A

H

M

V

G

A

E

P

I

I

S

E

L

F

S

P

V

T

E

A

G

V

W

F

R

Q

E

K

T

L

L

V

D

Q

T

V

N

M

L

L

T

T

S

G

A

A

F

F

L

I

A

G

A

I

K

K

Y

H

Q

V

V

L

P

P

A

I

I

M

A

K

A

A

L

Q

G

K

G

Y

G

G

S

R

L

I

T

I

F

N

T
x
M

S
x
A

S
|
S

F

I

V

N

G

G

H

-

T

L

A

I

G

G

F

F

A

A

G

G

V
x
K

A

A

P

G

Y
|
Y

A

N

A

S

S

A

K
|
K

A

H

G

G

L

V

I

I

G

G

L

L

V

T

Q

K

A

V

L

A

A

A

V

L

E

E

L

C

G

A

A

R

R

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

-

L

-

V

-

R

-

G

-
x
Q

-

I

A

A

N

D

F

L

A

A

N

K

L

T

P

R

G

N

A

V

A

S

P

L

E

D

T

S

-

A

-

L

R

E

G

D

F

V

V

I

E

L

G

A

L

M

H

V

A

P

L

Q

K

K

R

R

I

L

A

L

R

S

P

V

E

E

I

I

A

A

E

D

A

Y

A

A

L

I

Y

F

L

L

A

A

S

S

D

S

G

K

A

A

S

G

F

G

V

V

T

T

G

G

A

Q

A

A

L

V

A

M

D

D

G

G

A

Y

S

T

active site: G17 (= G17), S142 (= S143), Y155 (= Y157)
binding acetoacetic acid: Q94 (≠ G95), S142 (= S143), K152 (≠ V154), Y155 (= Y157), Q196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (= S16), G17 (= G17), I18 (= I18), D37 (≠ A37), M38 (≠ R38), D63 (= D63), V64 (= V64), N90 (= N90), A91 (= A91), G92 (= G92), M140 (≠ T141), A141 (≠ S142), S142 (= S143), Y155 (= Y157), K159 (= K161), Y187 (≠ G189), V188 (≠ T190), T190 (= T192)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
35% identity, 97% coverage: 4:252/256 of query aligns to 5:259/261 of 6zzsD

query
sites
6zzsD

L

L

E

D

G

G

K

K

I

V

A

A

I

F

V

I

T

T

G
|
G

A

S

S

A

S
|
S

G
|
G

I
|
I

G

G

R

L

A

E

A

I

A

A

L

K

F

F

A

A

R

Q

E

E

G

G

A

A

K

K

V

V

V

I

T

S

A
x
D

R
x
M

N

N

G

A

N

E

A

K

L

C

A

Q

E

E

L

T

T

A

D

N

E

S

I

L

A

K

G

E

G

Q

G

G

G

F

E

D

A

A

A

L

A

S

L

A

A

P

G

C

D
|
D

V
|
V

G

T

D

D

E

E

A

D

L

A

H

Y

E

K

A

Q

L

A

V

I

E

E

L

L

A

T

V

Q

R

K

R

T

F

F

G

G

G

T

L

V

D

D

T

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

A

-

L

F

G
x
Q

A

H

M

V

G

A

E

P

I

I

S

E

L

F

S

P

V

T

E

A

G

V

W

F

R

Q

E

K

T

L

L

V

D

Q

T

V

N

M

L

L

T

T

S

G

A

A

F

F

L

I

A

G

A

I

K

K

Y

H

Q

V

V

L

P

P

A

I

I

M

A

K

A

A

L

Q

G

K

G

Y

G

G

S

R

L

I

T

I

F

N

T
x
M

S
x
A

S
|
S

F

I

V
x
N

G

G

H

-

T

L

A

I

G

G

F

F

A

A

G

G

V
x
K

A

A

P

G

Y
|
Y

A

N

A

S

S

A

K
|
K

A

H

G

G

L

V

I

I

G

G

L

L

V

T

Q

K