SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_2675 FitnessBrowser__Korea:Ga0059261_2675 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)

D4A1J4 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Rattus norvegicus (Rat) (see paper)
59% identity, 99% coverage: 1:240/242 of query aligns to 1:243/245 of D4A1J4

query
sites
D4A1J4

M

M

G

G

R

R

L

L

E

E

G

G

K

K

I

V

A

I

L

V

V

L

T

T

A

A

G

A

Q

Q

G

G

I

I

G

G

R

R

A

A

T

S

V

A

E

L

A

A

F

F

V

A

R

R

E

E

G

G

A

A

R

K

V

V

I

I

A

A

T

T

D

D

V

I

R

N

A

E

E

A

A

K

L

L

D

Q

G

E

L

L

E

E

-

N

-

Y

-

P

G

G

A

I

E

Q

T

T

R

R

Q

V

L

L

D

D

V

V

T

T

S

K

K

K

D

R

A

Q

V

I

A

D

A

Q

I

F

A

A

A

S

E

E

F

I

P

E

E

K

L

I

N

D

V

V

L

L

Y

F

N

N

C

V

A

A

G

G

F

F

V

V

H

H

A

H

G

G

T

T

I

I

L

L

D

D

C

C

D

E

E

E

D

K

A

D

W

W

E

D

F

F

S

S

Q

M

S

N

L

L

N

N

V

V

T

R

A

S

Q

M

Y

Y

R

L

M

M

I

I

R

K

A

A

V

F

L

L

P

P

H

K

M

M

I

L

A

A

R

Q

G

K

G

S

G

G

S

N

I

I

N

N

M

M

S

S

V

V

C

A

S

S

I

I

K

K

A

G

V

V

P

E

N

N

R

R

F

C

A

V

Y
|
Y

G

S

A

A

T

T

K

K

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

V

V

A

A

I

A

D

D

Y

F

V

I

T

Q

K

Q

G

G

I

I

R

R

C

C

N

N

A

C

I

V

C

C

P

P

G

G

T

T

V

V

E

D

T

T

P

P

S

S

L

L

I

Q

Q

E

R

R

L

I

H

Q

D

A

T

R

G

D

D

D

F

P

E

K

K

E

A

A

Y

L

A

K

E

A

F

F

T

L

A

N

R

R

Q

Q

A

K

M

T

G

G

R

R

F

F

G

A

R

S

T

A

S

E

E

E

L

V

A

A

A

L

L

L

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

A

A

F

Y

T

V

T

T

G

G

T

T

V

P

N

V

V

V

I

I

D

D

G

G

W

W

Y147 (= Y144) mutation to F: Loss of function.

Q8JZV9 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Mus musculus (Mouse) (see paper)
57% identity, 99% coverage: 1:240/242 of query aligns to 1:243/245 of Q8JZV9

query
sites
Q8JZV9

M

M

G

G

R

R

L

L

E

D

G

G

K

K

I

V

A

I

L

V

V

L

T

T

A

A

G

A

Q

Q

G

G

I

I

G

G

R

R

A

A

T

S

V

A

E

L

A

A

F

F

V

A

R

R

E

E

G

G

A

A

R

K

V

V

I

I

A

A

T

T

D

D

V

I

R

N

A

E

E

S

A

K

L

L

D

Q

G

E

L

L

E

E

-

S

-

Y

-

R

G

G

A

I

E

Q

T

T

R

R

Q

V

L

L

D

D

V

V

T

T

S

K

K

K

D

R

A

Q

V

I

A

D

A

Q

I

F

A

A

A

S

E

E

F

I

P

E

E

R

L

I

N

D

V

V

L

L

Y

F

N

N

C

V

A

A

G

G

F

F

V

V

H

H

A

H

G

G

T

T

I

I

L

L

D

D

C

C

D

E

E

E

D

K

A

D

W

W

E

D

F

F

S

S

Q

M

S

N

L

L

N

N

V

V

T

R

A

S

Q

M

Y

F

R

L

M

M

I

I

R

K

A

A

V

F

L

L

P

P

H

K

M

M

I

L

A

A

R

Q

G

K

G

S

G

G

S

N

I

I

N

N

M

M

S

S

V

V

C

A

S

S

I

I

K

K

A

G

V

V

P

E

N

N

R

R

F

C

A

V

Y
|
Y

G

S

A

A

T

T

K

K

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

V

V

A

A

I

A

D

D

Y

F

V

I

T

Q

K

Q

G

G

I

I

R

R

C

C

N

N

A

C

I

V

C

C

P

P

G

G

T

T

V

V

E

D

T

T

P

P

S

S

L

L

I

Q

Q

E

R

R

L

I

H

Q

D

A

T

R

G

D

D

N

F

P

E

K

K

E

A

A

Y

L

A

K

E

T

F

F

T

L

A

N

R

R

Q

Q

A

K

M

T

G

G

R

R

F

F

G

A

R

S

T

A

S

E

E

E

L

V

A

A

A

L

L

L

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

A

A

F

Y

T

V

T

T

G

G

T

N

V

P

N

V

V

I

I

I

D

D

G

G

W

W

Y147 (= Y144) active site, Proton acceptor; mutation to F: Loss of function.

Q9BUT1 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Homo sapiens (Human) (see 4 papers)
57% identity, 99% coverage: 1:240/242 of query aligns to 1:243/245 of Q9BUT1

query
sites
Q9BUT1

M

M

G

G

R

R

L

L

E

D

G

G

K

K

I

V

A

I

L

I

V

L

T

T

A

A

G

A

Q
|
Q

G
|
G

I
|
I

G

G

R

Q

A

A

T

A

V

A

E

L

A

A

F

F

V

A

R

R

E

E

G

G

A

A

R

K

V

V

I

I

A

A

T

T

D
|
D

V

I

R

N

A

E

E

S

A

K

L

L

D

Q

G

E

L

L

E

E

-

K

-

Y

-

P

G

G

A

I

E

Q

T

T

R

R

Q

V

L

L

D
|
D

V

V

T

T

S

K

K

K

D

K

A

Q

V

I

A

D

A

Q

I

F

A

A

A
x
N

E

E

F

V

P

E

E

R

L

L

N

D

V

V

L

L

Y

F

N

N

C

V

A

A

G

G

F

F

V

V

H

H

A

H

G

G

T

T

I

V

L

L

D

D

C

C

D

E

E

E

D

K

A

D

W

W

E

D

F

F

S

S

Q

M

S

N

L

L

N

N

V

V

T

R

A

S

Q

M

Y

Y

R

L

M

M

I

I

R

K

A

A

V

F

L

L

P

P

H

K

M

M

I

L

A

A

R

Q

G

K

G

S

G

G

S

N

I

I

N

N

M

M

S

S

V

V

C

A

S

S

I

V

K

K

A

G

V

V

P

V

N

N

R

R

F

C

A

V

Y

Y

G

S

A

T

T

T

K
|
K

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

V

V

A

A

I

A

D

D

Y

F

V

I

T

Q

K

Q

G

G

I

I

R

R

C

C

N

N

A

C

I

V

C

C

P

P

G

G

T

T

V
|
V

E
x
D

T
|
T

P
|
P

S
|
S

L

L

I

Q

Q

E

R

R

L

I

H

Q

D

A

T

R

G

G

D

N

F

P

E

E

K

E

A

A

Y

R

A

N

E

D

F

F

T

L

A

K

R

R

Q

Q

A

K

M

T

G

G

R

R

F

F

G

A

R

T

T

A

S

E

E

E

L

I

A

A

A

M

L

L

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

A

A

F

Y

T

V

T

T

G

G

T

N

V

P

N

V

V

I

I

I

D

D

G

G

W

W

QGI 16:18 (= QGI 16:18) binding
D37 (= D37) binding
D58 (= D55) binding
N70 (≠ A67) to S: in dbSNP:rs1054707
K151 (= K148) binding
VDTPS 180:184 (≠ VETPS 177:181) binding

2ag5A Crystal structure of human dhrs6 (see paper)
57% identity, 99% coverage: 1:240/242 of query aligns to 1:243/246 of 2ag5A

query
sites
2ag5A

M

M

G

G

R

R

L

L

E

D

G

G

K

K

I

V

A

I

L

I

V

L

T

T

A

A

G

A

Q
|
Q

G
|
G

I
|
I

G

G

R

Q

A

A

T

A

V

A

E

L

A

A

F

F

V

A

R

R

E

E

G

G

A

A

R

K

V

V

I

I

A

A

T

T

D
|
D

V
x
I

R

N

A

E

E

S

A

K

L

L

D

Q

G

E

L

L

E

E

-

K

-

Y

-

P

G

G

A

I

E

Q

T

T

R

R

Q

V

L

L

D
|
D

V
|
V

T

T

S

K

K

K

D

K

A

Q

V

I

A

D

A

Q

I

F

A

A

A

N

E

E

F

V

P

E

E

R

L

L

N

D

V

V

L

L

Y

F

N

N

C
x
V

A

A

G
|
G

F

F

V

V

H

H

A

H

G

G

T

T

I

V

L

L

D

D

C

C

D

E

E

E

D

K

A

D

W

W

E

D

F

F

S

S

Q

M

S

N

L
|
L

N

N

V

V

T

R

A

S

Q

M

Y

Y

R

L

M

M

I

I

R

K

A

A

V

F

L

L

P

P

H

K

M

M

I

L

A

A

R

Q

G

K

G

S

G

G

S

N

I

I

N

N

M

M

S

S

S
|
S

V

V

C

A

S

S

I

V

K

K

A

G

V

V

P

V

N

N

R
|
R

F

C

A

V

Y
|
Y

G

S

A

T

T

T

K
|
K

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

V

V

A

A

I

A

D

D

Y

F

V

I

T

Q

K

Q

G

G

I

I

R

R

C

C

N

N

A

C

I

V

C

C

P
|
P

G

G

T

T

V
|
V

E

D

T
|
T

P

P

S
|
S

L

L

I

Q

Q

E

R
|
R

L

I

H

Q

D

A

T
x
R

G

G

D

N

F

P

E

E

K

E

A

A

Y

R

A

N

E

D

F
|
F

T

L

A

K

R
|
R

Q

Q

A

K

M

T

G

G

R

R

F

F

G

A

R

T

T

A

S

E

E

E

L

I

A

A

A

M

L

L

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

A

A

F

Y

T

V

T

T

G

G

T

N

V

P

N

V

V

I

I

I

D

D

G

G

W

W

active site: S133 (= S130), Y147 (= Y144), K151 (= K148), R192 (≠ T189)
binding nicotinamide-adenine-dinucleotide: Q16 (= Q16), G17 (= G17), I18 (= I18), D37 (= D37), I38 (≠ V38), D58 (= D55), V59 (= V56), V81 (≠ C78), G83 (= G80), L104 (= L101), Y147 (= Y144), K151 (= K148), P177 (= P174), V180 (= V177), T182 (= T179), S184 (= S181)
binding sulfate ion: R144 (= R141), R188 (= R185), F202 (= F199), R205 (= R202)

2dtxA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with d-mannose (see paper)
37% identity, 98% coverage: 4:239/242 of query aligns to 5:244/255 of 2dtxA

query
sites
2dtxA

L

L

E

R

G

D

K

K

I

V

A

V

L

I

V

V

T

T

A

G

A

A

G

S

Q

M

G
|
G

I

I

G

G

R

R

A

A

T

I

V

A

E

E

A

R

F

F

V

V

R

D

E

E

G

G

A

S

R

K

V

V

I

I

A

D

T

L

D

S

V

I

R

H

A

D

E

P

A

-

L

-

D

-

G

G

L

E

E

A

G

K

A

Y

E

D

T

H

R

I

Q

E

L

C

D

D

V

V

T

T

S

N

K

P

D

D

A

Q

V

V

A

K

A

A

-

S

-

I

-

D

-

H

I

I

A

F

A

K

E

E

F

Y

P

G

E

S

L

I

N

S

V

V

L

L

Y

V

N

N

C

N

A

A

G

G

F

I

V

E

H

S

A

Y

G

G

T

K

I

I

L

E

D

S

C

M

D

S

E

M

D

G

A

E

W

W

E

R

F

R

S

I

Q

I

S

D

L

V

N

N

V

L

T

F

A

G

Q

Y

Y

Y

R

Y

M

A

I

S

R

K

A

F

V

A

L

I

P

P

H

Y

M

M

I

I

A

R

R

S

G

R

G

D

G

P

S

S

I

I

I

V

N

N

M

I

S

S

S
|
S

V
|
V

C
x
Q

S

A

S

S

I

I

K

-

A

I

V

T

P

K

N

N

R

A

F

S

A

A

Y
|
Y

G

V

A

T

T
x
S

K
|
K

A

H

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

V

I

A

A

I

L

D

D

Y

Y

V

A

T

P

K

L

G

-

I

L

R

R

C

C

N

N

A

A

I

V

C

C

P

P

G
x
A

T
|
T

V

I

E

D

T

T

P

P

S

-

L

L

I

V

Q

R

R

K

L

A

-

A

-

E

-

L

-

E

-

V

-

G

H

S

D

D

T

P

G

M

D

R

F

I

E

E

K

K

A

K

Y

I

A

S

E

E

F

W

T

G

A

H

R

E

Q

H

A

P

M

M

G

Q

R

R

F

I

G

G

R

K

T

P

S

Q

E

E

L

V

A

A

A

S

L

A

A

V

V

A

Y

F

L

L

A

A

S

S

D

R

E

E

S

A

A

S

F

F

T

I

T

T

G

G

T

T

V

C

N

L

V

Y

I

V

D

D

G

G

active site: G18 (= G17), S132 (= S130), Y145 (= Y144), S148 (≠ T147), K149 (= K148)
binding beta-D-mannopyranose: V133 (= V131), Q134 (≠ C132), Y145 (= Y144), A175 (≠ G175), T176 (= T176)

2dteA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with nadh (see paper)
37% identity, 98% coverage: 4:239/242 of query aligns to 5:244/255 of 2dteA

query
sites
2dteA

L

L

E

R

G

D

K

K

I

V

A

V

L

I

V

V

T

T

A
x
G

A

A

G
x
S

Q
x
M

G
|
G

I
|
I

G

G

R

R

A

A

T

I

V

A

E

E

A

R

F

F

V

V

R

D

E

E

G

G

A

S

R

K

V

V

I

I

A

D

T

L

D
x
S

V
x
I

R

H

A

D

E

P

A

-

L

-

D

-

G

G

L

E

E

A

G

K

A

Y

E

D

T

H

R

I

Q

E

L
x
C

D
|
D

V
|
V

T

T

S

N

K

P

D

D

A

Q

V

V

A

K

A

A

-

S

-

I

-

D

-

H

I

I

A

F

A

K

E

E

F

Y

P

G

E

S

L

I

N

S

V

V

L

L

Y

V

N

N

C
x
N

A
|
A

G

G

F

I

V

E

H

S

A

Y

G

G

T

K

I

I

L

E

D

S

C

M

D

S

E

M

D

G

A

E

W

W

E

R

F

R

S

I

Q

I

S

D

L

V

N

N

V

L

T

F

A

G

Q

Y

Y

Y

R

Y

M

A

I

S

R

K

A

F

V

A

L

I

P

P

H

Y

M

M

I

I

A

R

R

S

G

R

G

D

G

P

S

S

I

I

I

V

N

N

M
x
I

S

S

S
|
S

V

V

C

Q

S

A

S

S

I

I

K

-

A

I

V

T

P

K

N

N

R

A

F

S

A

A

Y
|
Y

G

V

A

T

T
x
S

K
|
K

A

H

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

V

I

A

A

I

L

D

D

Y

Y

V

A

T

P

K

L

G

-

I

L

R

R

C

C

N

N

A

A

I

V

C

C

P
|
P

G
x
A

T
|
T

V
x
I

E

D

T
|
T

P
|
P

S

-

L
|
L

I
x
V

Q

R

R

K

L

A

-

A

-

E

-

L

-

E

-

V

-

G

H

S

D

D

T

P

G

M

D

R

F

I

E

E

K

K

A

K

Y

I

A

S

E

E

F

W

T

G

A

H

R

E

Q

H

A

P

M

M

G

Q

R

R

F

I

G

G

R

K

T

P

S

Q

E

E

L

V

A

A

A

S

L

A

A

V

V

A

Y

F

L

L

A

A

S

S

D

R

E

E

S

A

A

S

F

F

T

I

T

T

G

G

T

T

V

C

N

L

V

Y

I

V

D

D

G

G

active site: G18 (= G17), S132 (= S130), Y145 (= Y144), S148 (≠ T147), K149 (= K148)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (≠ A13), S16 (≠ G15), M17 (≠ Q16), G18 (= G17), I19 (= I18), S38 (≠ D37), I39 (≠ V38), C52 (≠ L54), D53 (= D55), V54 (= V56), N80 (≠ C78), A81 (= A79), I130 (≠ M128), S132 (= S130), Y145 (= Y144), K149 (= K148), P174 (= P174), A175 (≠ G175), T176 (= T176), I177 (≠ V177), T179 (= T179), P180 (= P180), L181 (= L182), V182 (≠ I183)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
36% identity, 98% coverage: 3:239/242 of query aligns to 7:249/258 of 4wecA

query
sites
4wecA

R

R

L

L

E

A

G

G

K

K

I

V

A

A

L

V

V

I

T

T

A
x
G

A

G

G
x
A

Q
x
S

G
|
G

I
|
I

G

G

R

L

A

A

T

T

V

G

E

R

A

R

F

L

V

R

R

A

E

E

G

G

A

A

R

T

V

V

I

V

A

V

T

G

D
|
D

V
x
I

R

D

A

P

E

T

-

T

-

G

-

K

-

A

A

A

L

A

D

D

G

E

L

L

E

E

G

G

A

L

E

F

T

V

R

-

Q

P

L
x
V

D
|
D

V
|
V

T

S

S

E

K

Q

D

E

A

A

V

V

A

D

A

N

I

L

-

F

-

D

-

T

-

A

A

A

A

S

E

T

F

F

P

G

E

R

L

V

N

D

V

I

L

A

Y

F

N

N

C
x
N

A

A

G

G

F

I

V

S

H

P

A

P

-

E

-

D

G

D

T

L

I

I

L

E

D

N

C

T

D

D

E

L

D

P

A

A

W

W

E

Q

F

R

S

V

Q

Q

S

D

L

I

N

N

V

L

T

K

A

S

Q

V

Y

Y

R

L

M

S

I

C

R

R

A

A

V

A

L

L

P

R

H

H

M

M

I

V

A

P

R

A

G

G

G

K

G

G

S

S

I

I

N

N

M
x
T

S

A

S
|
S

V

F

C

V

S

A

S

V

I

M

K

G

A

S

V

A

P

T

N

S

R
x
Q

F

I

A

S

Y
|
Y

G

T

A

A

T

S

K
|
K

A

G

V

V

I

L

G

A

L

M

T

S

K

R

S

E

V

L

A

G

I

V

D

Q

Y

Y

V

A

T

R

K

Q

G

G

I

I

R

R

C

V

N

N

A

A

I

L

C

C

P
|
P

G

G

T
x
P

V
|
V

E

N

T

T

P

P

S

-

L

L

I

L

Q

Q

R

E

L

L

H

F

D

-

T

A

G

K

D

D

F

P

E

E

K

R

A

A

Y

-

A

A

E

R

F

R

T

L

A

V

R

H

Q

I

A

P

M

L

G

G

R

R

F

F

G

A

R

E

T

P

S

E

E

E

L

L

A

A

L

A

A

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

D

S

A

A

S

F

F

T

I

T

T

G

G

T

S

V

T

N

F

V

L

I

V

D

D

G

G

active site: G21 (= G17), S143 (= S130), Q154 (≠ R141), Y157 (= Y144), K161 (= K148)
binding nicotinamide-adenine-dinucleotide: G17 (≠ A13), A19 (≠ G15), S20 (≠ Q16), G21 (= G17), I22 (= I18), D41 (= D37), I42 (≠ V38), V61 (≠ L54), D62 (= D55), V63 (= V56), N89 (≠ C78), T141 (≠ M128), Y157 (= Y144), K161 (= K148), P187 (= P174), P189 (≠ T176), V190 (= V177)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
34% identity, 99% coverage: 2:240/242 of query aligns to 1:245/248 of 6ixmC

query
sites
6ixmC

G

G

R

I

L

L

E

D

G

N

K

K

I

V

A

A

L

L

V

V

T

T

A
x
G

A

A

G

G

Q
x
S

G
|
G

I
|
I

G

G

R

L

A

A

T

V

V

A

E

H

A

S

F

Y

V

A

R

K

E

E

G

G

A

A

R

K

V

V

I

I

A

V

T

S

D
|
D

V
x
I

R

N

A

E

E

D

-

H

-

G

-

N

-

K

A

A

L

V

D

E

G

D

L

I

-

K

-

A

E

Q

G

G

A

G

E

E

T

A

R

S

-

F

-

V

Q

K

L
x
A

D
|
D

V
x
T

T

S

S

N

K

P

D

E

A

E

V

V

A

E

A

A

I

L

A

V

A

K

E

R

-

T

-

V

-

E

-

I

F

Y

P

G

E

R

L

L

N

D

V

I

L

A

Y

C

N

N

C
x
N

A
|
A

G

G

F

I

V

G

H

G

A

E

G

Q

T

A

I

L

L

A

-

G

D

D

C

Y

D

G

E

L

D

D

A

S

W

W

E

R

F

K

S

V

Q

L

S

S

L

I

N

N

V

L

T

D

A

G

Q

V

Y

F

R

Y

M

G

I

C

R

K

A

Y

V

E

L

L

P

E

H

Q

M

M

I

E

A

K

R

N

G

G

S

V

I

I

I

V

N

N

M
|
M

S

A

S
|
S

V

I

C

-

S

H

S

G

I

I

K

V

A

A

V

A

P

P

N

L

R

S

F

S

A

A

Y
|
Y

G

T

A

S

T

A

K
|
K

A

H

A

A

V

V

I

V

G

G

L

L

T

T

K

K

S

N

V

I

A

G

I

A

D

E

Y

Y

V

G

T

Q

K

K

G

N

I

I

R

R

C

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

T
x
Y

V
x
I

E

E

T

T

P

P

S

-

L
|
L

I

L

Q

E

R

S

L

L

H

-

D

-

T

T

G

K

D

E

F

M

E

K

K

E

A

A

Y

-

A

-

E

-

F

L

T

I

A

S

R

K

Q

H

A

P

M

M

G

G

R

R

F

L

G

G

R

K

T

P

S

E

E

E

L

V

A

A

A

E

L

L

A

V

V

L

Y

F

L

L

A

S

S

S

D

E

E

K

S

S

A

S

F

F

T

M

T

T

G

G

T

G

V

Y

N

Y

V

L

I

V

D

D

G

G

W

Y

active site: G16 (= G17), S142 (= S130), Y155 (= Y144), K159 (= K148)
binding nicotinamide-adenine-dinucleotide: G12 (≠ A13), S15 (≠ Q16), G16 (= G17), I17 (= I18), D36 (= D37), I37 (≠ V38), A61 (≠ L54), D62 (= D55), T63 (≠ V56), N89 (≠ C78), A90 (= A79), M140 (= M128), S142 (= S130), Y155 (= Y144), K159 (= K148), P185 (= P174), A186 (≠ G175), Y187 (≠ T176), I188 (≠ V177), L192 (= L182)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)-hydroxypropylethane thiosulfonate dehydrogenases (see paper)
37% identity, 97% coverage: 7:240/242 of query aligns to 3:247/250 of 2cfcA

query
sites
2cfcA

K

R

I

V

A

A

L

I

V

V

T

T

A
x
G

A

A

G

S

Q
x
S

G
|
G

I
x
N

G

G

R

L

A

A

T

I

V

A

E

T

A

R

F

F

V

L

R

A

E

R

G

G

A

D

R

R

V

V

I

A

A

A

T

L

D
|
D

V
x
L

R

S

A

A

E

E

A

T

L

L

D

E

G

-

L

-

E

E

G

T

A

A

E

R

T

T

R

H

-

W

-

H

-

A

-

Y

-

A

-

D

-

K

-

V

-

L

-

R

-

V

Q

R

L
x
A

D
|
D

V
|
V

T

A

S

D

K

E

-

G

D

D

A

V

V

N

A

A

I

I

A

A

-

T

-

M

-

E

E

Q

F

F

P

G

E

A

L

I

N

D

V

V

L

L

Y

V

N

N

C
x
N

A
|
A

G
|
G

F

I

V

T

-

G

-

N

-

S

H

E

A

A

G

G

T

V

I

L

L

H

D

T

C

T

D

P

E

V

D

E

A

Q

W

F

E

D

F

K

S

V

Q

M

S

A

L

V

N

N

V

V

T

R

A

G

Q

I

Y

F

R

L

M

G

I

C

R

R

A

A

V

V

L

L

P

P

H

H

M

M

I

L

A

L

R

Q

G

G

G

A

G

G

S

V

I

I

I

V

N

N

M
x
I

S

A

S
|
S

V

V

C

-

S

A

S

S

I

L

K

V

A

A

V
x
F

P

P

N

G

R
|
R

F

S

A

A

Y
|
Y

G

T

A

T

T

S

K
|
K

A

G

A

A

V

V

I

L

G

Q

L

L

T

T

K

K

S

S

V

V

A

A

I

V

D

D

Y

Y

V

A

T

G

K

S

G

G

I

I

R

R

C

C

N

N

A

A

I

V

C

C

P
|
P

G
|
G

T
x
M

V
x
I

E

E

T
|
T

P
|
P

S
x
M

L
x
T

I

Q

Q
x
W

R
|
R

L

L

H

-

D

-

T

-

G

-

D

D

F

Q

E

P

K

E

A

L

Y

R

A

D

E

Q

F

V

T

L

A

A

R

R

Q

I

A

P

M

Q

G

K

R

E

F

I

G

G

R

T

T

A

S

A

E

Q

L

V

A

A

A

D

L

A

A

V

V

M

Y

F

L

L

A

A

S

G

D

E

E

D

S

A

A

T

F

Y

T

V

T

N

G

G

T

A

V

A

N

L

V

V

I

M

D

D

G

G

G

A

W

Y

active site: G13 (= G17), S142 (= S130), Y155 (= Y144), K159 (= K148)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ V138), R152 (= R141), Y155 (= Y144), W195 (≠ Q184), R196 (= R185)
binding nicotinamide-adenine-dinucleotide: G9 (≠ A13), S12 (≠ Q16), G13 (= G17), N14 (≠ I18), D33 (= D37), L34 (≠ V38), A59 (≠ L54), D60 (= D55), V61 (= V56), N87 (≠ C78), A88 (= A79), G89 (= G80), I140 (≠ M128), P185 (= P174), G186 (= G175), M187 (≠ T176), I188 (≠ V177), T190 (= T179), P191 (= P180), M192 (≠ S181), T193 (≠ L182)

Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
37% identity, 97% coverage: 7:240/242 of query aligns to 3:247/250 of Q56840

query
sites
Q56840

K

R

I

V

A

A

L

I

V

V

T

T

A

G

A

A

G

S

Q
x
S

G
|
G

I
x
N

G

G

R

L

A

A

T

I

V

A

E

T

A

R

F

F

V

L

R

A

E

R

G

G

A

D

R

R

V

V

I

A

A

A

T

L

D
|
D

V

L

R

S

A

A

E

E

A

T

L

L

D

E

G

-

L

-

E

E

G

T

A

A

E

R

T

T

R

H

-

W

-

H

-

A

-

Y

-

A

-

D

-

K

-

V

-

L

-

R

-

V

Q

R

L

A

D
|
D

V
|
V

T

A

S

D

K

E

-

G

D

D

A

V

V

N

A

A

I

I

A

A

-

T

-

M

-

E

E

Q

F

F

P

G

E

A

L

I

N

D

V

V

L

L

Y

V

N

N

C
x
N

A

A

G

G

F

I

V

T

-

G

-

N

-

S

H

E

A

A

G

G

T

V

I

L

L

H

D

T

C

T

D

P

E

V

D

E

A

Q

W

F

E

D

F

K

S

V

Q

M

S

A

L

V

N

N

V

V

T

R

A

G

Q

I

Y

F

R

L

M

G

I

C

R

R

A

A

V

V

L

L

P

P

H

H

M

M

I

L

A

L

R

Q

G

G

G

A

G

G

S

V

I

I

I

V

N

N

M

I

S

A

S
|
S

V

V

C

-

S

A

S

S

I

L

K

V

A

A

V

F

P

P

N

G

R
|
R

F

S

A

A

Y
|
Y

G

T

A

T

T

S

K
|
K

A

G

A

A

V

V

I

L

G

Q

L

L

T

T

K

K

S

S

V

V

A

A

I

V

D

D

Y

Y

V

A

T

G

K

S

G

G

I

I

R
|
R

C

C

N

N

A

A

I

V

C

C

P

P

G

G

T

M

V
x
I

E
|
E

T
|
T

P
|
P

S
x
M

L

T

I

Q

Q
x
W

R
|
R

L

L

H

-

D

-

T

-

G

-

D

D

F

Q

E

P

K

E

A

L

Y
x
R

A

D

E

Q

F

V

T

L

A

A

R
|
R

Q

I

A

P

M

Q

G

K

R

E

F

I

G

G

R

T

T

A

S

A

E

Q

L

V

A

A

A

D

L

A

A

V

V

M

Y

F

L

L

A

A

S

G

D

E

E

D

S

A

A

T

F

Y

T

V

T

N

G

G

T

A

V

A

N

L

V

V

I

M

D

D

G

G

G

A

W

Y

SGN 12:14 (≠ QGI 16:18) binding
D33 (= D37) binding
DV 60:61 (= DV 55:56) binding
N87 (≠ C78) binding
S142 (= S130) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (= R141) binding ; mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
Y155 (= Y144) mutation Y->E,F: Loss of activity.
K159 (= K148) mutation to A: Loss of activity.
R179 (= R168) mutation to A: Loss of activity.
IETPM 188:192 (≠ VETPS 177:181) binding
WR 195:196 (≠ QR 184:185) binding
R196 (= R185) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (≠ Y196) mutation to A: Slight decrease in catalytic efficiency.
R209 (= R202) mutation to A: Does not affect catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5jc8D Crystal structure of a putative short-chain dehydrogenase/reductase from burkholderia xenovorans
36% identity, 98% coverage: 2:239/242 of query aligns to 2:256/262 of 5jc8D

query
sites
5jc8D

G

G

R

R

L

L

E

Q

G

G

K

K

I

V

A

A

L

L

V

V

T

T

A

G

A

A

G

G

-

C

-

I

-

G

-

P

-

G

Q

W

G
|
G

I

N

G

G

R

R

A

A

T

I

V

A

E

V

A

R

F

F

V

A

R

E

E

E

G

G

A

A

R

H

V

V

I

I

A

A

T

V

D

D

V

R

R

D

A

L

E

A

A

S

L

M

D

D

G

A

-

T

L

L

E

E

-

L

-

V

-

R

-

A

-

G

G

G

A

S

E

V

T

T

R

P

Q

C

L

L

-

C

D

D

V

V

T

T

S

D

K

S

D

A

A

S

V

V

A

E

A

R

I

L

A

V

A

A

E

D

-

S

-

V

-

A

-

R

F

C

P

G

E

R

L

V

N

D

V

I

L

L

Y

V

N

N

C

N

A

V

G

G

F

A

V

P

H

S

A

P

G

G

T

G

I

P

L

V

D

A

C

L

D

D

E

E

D

A

A

Q

W

W

E

A

F

M

S

Q

Q

L

S

E

L

L

N

N

V

L

T

T

A

T

Q

A

Y

F

R

L

M

M

I

C

R

K

A

Y

V

V

L

L

P

P

H

V

M

M

I

E

A

Q

R

Q

G

G

S

A

I

I

I

V

N

N

M

I

S

A

S
|
S

V

T

C

S

S

G

S

I

I

R

K

W

A

T

V

G

P

A

N

A

R

Q

F

V

A

G

Y
|
Y

G

A

A

A

T

A

K
|
K

A

A

A

G

V

M

I

I

G

Q

L

M

T

G

K

R

S

V

V

V

A

A

I

V

D

E

Y

Y

V

A

T

A

K

K

G

N

I

V

R

R

C

V

N

N

A

S

I

V

C

V

P

P

G

G

T

L

V

L

E

H

T

T

P
|
P

S
x
M

L

V

I

D

Q

T

R

K

L

I

H

A

D

H

T

N

G

G

D

D

F

V

E

E

K

L

A

L

Y

L

A

R

E

K

F

R

T

Q

A

A

R

R

Q

I

A

P

M

M

G

P

R

F

F

M

G

G

R

D

T

G

S

R

E

D

L

T

A

A

A

N

L

A

A

A

V

L

Y

F

L

L

A

A

S

S

D

D

E

E

S

A

A

R

F

F

T

V

T

T

G

G

T

T

V

E

N

I

V

V

I

V

D

D

G

G

active site: G22 (= G17), S147 (= S130), Y161 (= Y144), K165 (= K148)
binding magnesium ion: P197 (= P180), M198 (≠ S181)

1nfqA Rv2002 gene product from mycobacterium tuberculosis (see paper)
39% identity, 99% coverage: 2:241/242 of query aligns to 2:238/244 of 1nfqA

query
sites
1nfqA

G

G

R

R

L

L

E

T

G

G

K

K

I

V

A

A

L

L

V

V

T

S

A

G

G

A

Q
x
R

G
|
G

I
x
M

G

G

R

A

A

S

T

H

V

V

E

R

A

A

F

M

V

V

R

A

E

E

G

G

A

A

R

K

V

V

I

V

A

F

T

G

D
|
D

V

I

R
x
L

A

D

E

E

A

-

L

-

D

-

G

-

L

-

E

E

G

G

A

K

E

A

T

M

R

A

-

A

-

E

-

L

-

A

-

D

-

A

-

R

-

Y

-

V

Q

H

L
|
L

D
|
D

V
|
V

T

T

S

Q

-

P

-

A

-

Q

-

W

K

K

D

A

A

A

V

V

A

D

A

T

I

A

A

V

A

T

E

A

F

F

P

G

E

G

L

L

N

H

V

V

L

L

Y

V

N

N

C
x
N

A
|
A

G

G

F

I

V
x
L

H

N

A

I

G

G

T

T

I

I

L

E

D

D

C

Y

D

A

E

L

D

T

A

E

W

W

E

Q

F

R

S

I

Q

L

S

D

L

V

N

N

V

L

T

T

A

G

Q

V

Y

F

R

L

M

G

I

I

R

R

A

A

V

V

L

V

P

K

H

P

M

M

I

K

A

E

R

A

G

G

G

R

G

G

S

S

I

I

N

N

M
x
I

S

S

S
|
S

V

I

C

-

S
x
E

S

G

I

L

K

A

A

G

V

T

P

V

N

A

R
x
C

F

H

A

G

Y
|
Y

G

T

A

A

T

T

K
|
K

A

F

A

A

V

V

I

R

G

G

L

L

T

T

K

K

S

S

V

T

A

A

I

L

D

E

Y

L

V

G

T

P

K

S

G

G

I

I

R

R

C

V

N

N

A

S

I

I

C

H

P
|
P

G

G

T

L

V
|
V

E

K

T
|
T

P
|
P

S

-

L

-

I

-

Q

-

R

-

L

-

H

-

D

-

T

-

G

-

D

-

F
x
M

E
x
T

K

D

A

W

Y
x
V

A

P

E

E

F

D

T
x
I

A
x
F

R

Q

Q

T

A

A

M

L

G

G

R

R

F

A

G

A

R

E

T

P

S

V

E

E

L

V

A

S

A

N

L

L

A

V

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

A

S

F

Y

T

S

T

T

G

G

T

A

V

E

N

F

V

V

I

V

D

D

G

G

W

T

V

V

active site: G17 (= G17), S139 (= S130), Y152 (= Y144), K156 (= K148)
binding Androsterone: L91 (≠ V82), E141 (≠ S133), C149 (≠ R141), Y152 (= Y144), V193 (≠ Y196), I197 (≠ T200), F198 (≠ A201)
binding 1,4-dihydronicotinamide adenine dinucleotide: R16 (≠ Q16), G17 (= G17), M18 (≠ I18), D37 (= D37), L39 (≠ R39), L59 (= L54), D60 (= D55), V61 (= V56), N87 (≠ C78), A88 (= A79), I137 (≠ M128), S139 (= S130), Y152 (= Y144), K156 (= K148), P182 (= P174), V185 (= V177), T187 (= T179), P188 (= P180), M189 (≠ F192), T190 (≠ E193)

1nffA Crystal structure of rv2002 gene product from mycobacterium tuberculosis (see paper)
39% identity, 99% coverage: 2:241/242 of query aligns to 2:238/244 of 1nffA

query
sites
1nffA

G

G

R

R

L

L

E

T

G

G

K

K

I

V

A

A

L

L

V

V

T

S

A
x
G

A

G

G

A

Q
x
R

G
|
G

I
x
M

G

G

R

A

A

S

T

H

V

V

E

R

A

A

F

M

V

V

R

A

E

E

G

G

A

A

R

K

V

V

I

V

A

F

T

G

D
|
D

V
x
I

R
x
L

A

D

E

E

A

-

L

-

D

-

G

-

L

-

E

E

G

G

A

K

E

A

T

M

R

A

-

A

-

E

-

L

-

A

-

D

-

A

-

R

-

Y

-

V

Q

H

L
|
L

D
|
D

V
|
V

T

T

S

Q

-

P

-

A

-

Q

-

W

K

K

D

A

A

A

V

V

A

D

A

T

I

A

A

V

A

T

E

A

F

F

P

G

E

G

L

L

N

H

V

V

L

L

Y

V

N

N

C
x
N

A
|
A

G
|
G

F
x
I

V

L

H

N

A

I

G

G

T

T

I

I

L

E

D

D

C

Y

D

A

E

L

D

T

A

E

W

W

E

Q

F

R

S

I

Q

L

S

D

L

V

N

N

V

L

T

T

A

G

Q

V

Y

F

R

L

M

G

I

I

R

R

A

A

V

V

L

V

P

K

H

P

M

M

I

K

A

E

R

A

G

G

G

R

G

G

S

S

I

I

N

N

M
x
I

S

S

S
|
S

V

I

C

-

S

E

S

G

I

L

K

A

A

G

V

T

P

V

N

A

R

C

F

H

A

G

Y
|
Y

G

T

A

A

T

T

K
|
K

A

F

A

A

V

V

I

R

G

G

L

L

T

T

K

K

S

S

V

T

A

A

I

L

D

E

Y

L

V

G

T

P

K

S

G

G

I

I

R

R

C

V

N

N

A

S

I

I

C

H

P
|
P

G

G

T

L

V
|
V

E

K

T
|
T

P
|
P

S

-

L

-

I

-

Q

-

R

-

L

-

H

-

D

-

T

-

G

-

D

-

F
x
M

E
x
T

K

D

A

W

Y

V

A

P

E

E

F

D

T

I

A

F

R

Q

Q

T

A

A

M

L

G

G

R

R

F

A

G

A

R

E

T

P

S

V

E

E

L

V

A

S

A

N

L

L

A

V

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

A

S

F

Y

T

S

T

T

G

G

T

A

V

E

N

F

V

V

I

V

D

D

G

G

W

T

V

V

active site: G17 (= G17), S139 (= S130), Y152 (= Y144), K156 (= K148)
binding nicotinamide-adenine-dinucleotide: G13 (≠ A13), R16 (≠ Q16), G17 (= G17), M18 (≠ I18), D37 (= D37), I38 (≠ V38), L39 (≠ R39), L59 (= L54), D60 (= D55), V61 (= V56), N87 (≠ C78), A88 (= A79), G89 (= G80), I90 (≠ F81), I137 (≠ M128), S139 (= S130), Y152 (= Y144), K156 (= K148), P182 (= P174), V185 (= V177), T187 (= T179), P188 (= P180), M189 (≠ F192), T190 (≠ E193)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
34% identity, 98% coverage: 3:240/242 of query aligns to 4:252/255 of 5itvA

query
sites
5itvA

R

N

L

L

E

T

G

D

K

K

I

T

A

V

L

L

V

I

T

T

A
x
G

A

G

G

A

Q
x
S

G
|
G

I
|
I

G

G

R

Y

A

A

T

A

V

V

E

Q

A

A

F

F

V

L

R

G

E

Q

G

Q

A

A

R

N

V

V

I

V

A

V

T

A

D
|
D

-
x
I

-

D

-

E

-

A

-

Q

-

G

-

E

-

A

-

M

V

V

R

R

A

K

E

E

A

N

L

N

D

D

G

R

L

L

E

H

G

F

A

V

E

Q

T
|
T

R

D

Q
x
I

L

T

D

D

-

E

V

A

T

A

S

C

K

Q

D

H

A

A

V

V

A

E

A

S

I

A

A

V

A

H

E

T

F

F

P

G

E

G

L

L

N

D

V

V

L

L

Y

I

N

N

C
x
N

A

A

G
|
G

F

I

V

E

H

I

A

V

G

A

T

P

I

I

L

H

D

E

C

M

D

E

E

L

D

S

A

D

W

W

E

N

F

K

S

V

Q

L

S

Q

L

V

N

N

V

L

T

T

A

G

Q

M

Y

F

R

L

M

M

I

S

R

K

A

H

V

A

L

L

P

K

H

H

M

M

I

L

A

A

R

A

G

G

G

K

G

G

S

N

I

I

N

N

M
x
T

S

C

S
|
S

V

V

C

-

S

G

I

L

K

V

A

A

V

W

P

P

N

D

R

I

F

P

A

A

Y
|
Y

G

N

A

A

T

S

K
|
K

A

G

V

V

I

L

G

Q

L

L

T

T

K

K

S

S

V

M

A

A

I

V

D

D

Y

Y

V

A

T

K

K

H

G

Q

I

I

R

R

C

V

N

N

A

C

I

V

C

C

P
|
P

G
|
G

T
x
I

V
x
I

E

D

T

T

P

P

-

L

-

N

-

E

-

K

S

S

L

F

I

L

Q

E

R

-

L

-

H

N

D

N

T

E

G

G

D

T

F

L

E

E

K

E

A

I

Y

K

A

K

E

E

F

K

T

A

A

K

R

V

Q

N

A

P

M

L

G

L

R

R

F

L

G

G

R

K

T

P

S

E

E

E

L

I

A

A

A

N

L

V

A

M

V

L

Y

F

L

L

A

A

S

S

D

D

E

L

S

S

A

S

F

Y

T

M

T

T

G

G

T

S

V

A

N

I

V

T

I

A

D

D

G

G

W

Y

active site: G18 (= G17), S141 (= S130), Y154 (= Y144), K158 (= K148)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (≠ A13), S17 (≠ Q16), G18 (= G17), I19 (= I18), D38 (= D37), I39 (vs. gap), T61 (= T51), I63 (≠ Q53), N89 (≠ C78), G91 (= G80), T139 (≠ M128), S141 (= S130), Y154 (= Y144), K158 (= K148), P184 (= P174), G185 (= G175), I186 (≠ T176), I187 (≠ V177)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
33% identity, 99% coverage: 1:239/242 of query aligns to 2:241/244 of 4nbuB

query
sites
4nbuB

M

M

G

S

R

R

L

L

E

Q

G

D

K

K

I

V

A

A

L

I

V

I

T

T

A
x
G

A

A

G

A

Q
x
N

G
|
G

I
|
I

G

G

R

L

A

E

T

A

V

A

E

R

A

V

F

F

V

M

R

K

E

E

G

G

A

A

R

K

V

V

I

V

A

I

T

A

D
|
D

V
x
F

R

N

-

E

-

A

-

G

A

K

E

E

A

A

L

V

D

E

G

A

L

N

E

P

G

G

A

V

E

V

T

F

R

I

Q

R

L
x
V

D
|
D

V
|
V

T

S

S

D

K

R

D

E

A

S

V

V

-

H

-

R

-

L

-

V

A

E

A

N

I

V

A

A

A

E

E

R

F

F

P

G

E

K

L

I

N

D

V

I

L

L

Y

I

N

N

C
x
N

A
|
A

G
|
G

F
x
I

V

T

H

R

A
x
D

G

S

T

M

I

L

L

S

D
x
K

C

M

D

T

E

V

D

D

A

Q

W

F

E

Q

F

Q

S

V

Q

I

S

N

L

V

N
|
N

V

L

T

T

A

G

Q

V

Y

F

R

H

M

C

I

T

R

Q

A

A

V

V

L

L

P

P

H

Y

M

M

I

A

A

E

R

Q

G

G

G

K

G

G

S

K

I

I

N

N

M
x
T

S

S

S
|
S

V

V

C

T

S

G

S

T

I

Y

K

G

A
x
N

V
|
V

P

-

N

G

R
x
Q

F

T

A

N

Y
|
Y

G

A

A

A

T

A

K
|
K

A

A

A

G

V

V

I

I

G

G

L

M

T

T

K

K

S

T

V

W

A

A

I

K

D

E

Y

L

V

A

T

R

K

K

G

G

I

I

R

N

C

V

N

N

A

A

I

V

C

A

P
|
P

G

G

T
x
F

V
x
T

E

E

T
|
T

P

A

S
x
M

L

V

I

A

Q

E

R

V

L

P

H

-

D

-

T

-

G

-

D

-

F

-

E

E

K

K

A

V

Y

I

A

E

E
x
K

F

M

T

K

A

A

R

Q

Q

V

A

P

M

M

G

G

R

R

F

L

G

G

R

K

T

P

S

E

E

D

L

I

A

A

A

N

L

A

A

Y

V

L

Y

F

L

L

A

A

S

S

D

H

E

E

S

S

A

D

F

Y

T

V

T

N

G

G

T

H

V

V

N

L

V

H

I

V

D

D

G

G

active site: G18 (= G17), N111 (= N102), S139 (= S130), Q149 (≠ R141), Y152 (= Y144), K156 (= K148)
binding acetoacetyl-coenzyme a: D93 (≠ A84), K98 (≠ D89), S139 (= S130), N146 (≠ A137), V147 (= V138), Q149 (≠ R141), Y152 (= Y144), F184 (≠ T176), M189 (≠ S181), K200 (≠ E198)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (≠ A13), N17 (≠ Q16), G18 (= G17), I19 (= I18), D38 (= D37), F39 (≠ V38), V59 (≠ L54), D60 (= D55), V61 (= V56), N87 (≠ C78), A88 (= A79), G89 (= G80), I90 (≠ F81), T137 (≠ M128), S139 (= S130), Y152 (= Y144), K156 (= K148), P182 (= P174), F184 (≠ T176), T185 (≠ V177), T187 (= T179), M189 (≠ S181)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
38% identity, 98% coverage: 4:239/242 of query aligns to 3:247/251 of 7djsD

query
sites
7djsD

L

L

E

S

G

G

K

Q

I

V

A

A

L

L

V

V

T

T

A
x
G

A

G

G

A

Q

A

G
|
G

I
|
I

G

G

R

R

A

A

T

T

V

A

E

Q

A

A

F

F

V

A

R

A

E

A

G

G

A

V

R

K

V

V

I

V

A

V

T

A

D
|
D

V
x
L

R

D

A

S

E

A

A

G

L

G

D

E

G

G

L

T

-

V

-

E

-

A

-

I

-

R

-

Q

E

A

G

G

A

G

E

E

T

A

R

V

-

F

-

I

Q

R

L
x
C

D
|
D

V
|
V

T

T

S

R

K

D

D

A

A

E

V

V

A

K

A

A

I

L

-

V

-

E

-

G

-

C

A

A

E

A

F

Y

P

G

E

R

L

L

N

D

V

Y

L

A

Y

F

N

N

C
x
N

A
|
A

G

G

F

I

-

E

V

I

H

E

A

Q

G

G

T

K

I

L

L

A

D

D

C

G

D

N

E

E

D

A

A

E

W

F

E

D

F

A

S

I

Q

M

S

A

L

V

N

N

V

V

T

K

A

G

Q

V

Y

W

R

L

M

C

I

M

R

K

A

H

V

Q

L

I

P

P

H

L

M

M

I

L

A

A

R

Q

G

G

S

A

I

I

I

V

N

N

M
x
T

S

A

S
|
S

V

V

C

-

S

A

S

G

I

L

K

G

A

A

V

A

P

P

N

K

R

M

F

S

A

I

Y
|
Y

G

A

A

A

T

S

K
|
K

A

H

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

V

A

A

A

I

I

D

E

Y

Y

V

A

T

K

K

K

G

G

I

I

R

R

C

V

N

N

A

A

I

V

C

C

P

P

G
x
A

T
x
V

V

I

E

D

T

T

P

-

S

D

L

M

I

F

Q

R

R

R

L

A

H

Y

D

E

T

A

G

-

D

D

F

P

E

R

K

K

A

-

Y

-

A

A

E

E

F

F

-

A

T

A

A

A

R

M

Q

H

A

P

M

L

G

G

R

R

F

V

G

G

R

R

T

V

S

E

E

E

L

I

A

A

L

A

A

V

V

L

Y

Y

L

L

A

C

S

S

D

D

E

N

S

A

A

G

F

F

T

T

G

G

T

I

V

A

N

L

V

P

I

V

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G12 (≠ A13), G16 (= G17), I17 (= I18), D36 (= D37), L37 (≠ V38), C61 (≠ L54), D62 (= D55), V63 (= V56), N89 (≠ C78), A90 (= A79), T140 (≠ M128), S142 (= S130), Y155 (= Y144), K159 (= K148), A186 (≠ G175), V187 (≠ T176)

5ojiA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
35% identity, 98% coverage: 3:239/242 of query aligns to 7:255/260 of 5ojiA

query
sites
5ojiA

R

R

L

F

E

E

G

G

K

K

I

V

A

A

L

I

V

V

T

T

A
|
A

A

A

G
x
T

Q

K

G
|
G

I
|
I

G

G

R

L

A

A

T

I

V

A

E

E

A

R

F

L

V

L

R

D

E

E

G

G

A

A

R

S

V

V

I

V

A

I

T

G

D
x
S

V
x
R

R
x
N

A

Q

E

K

A
x
N

L

V

D

D

-

E

G

A

L

I

E

E

G

Y

A

L

E

K

T

N

R

K

Q

G

L

L

D

T

V

K

T

V

S

A

-

G

-

I

-

A

-

G

-

H

-
x
I

-

A

-

S

-

T

-

D

-

Q

K

K

D

K

A

L

V

V

A

D

A

F

I

T

A

L

A

Q

E

K

F

F

P

G

E

K

L

I

N

N

V

I

L

L

Y

V

N

N

C
x
N

A
x
H

G
|
G

F

I

V

N

H

P

A

A

-

F

G

G

T

H

I

I

L

L

D

E

C

V

D

S

E

D

D

Q

A

V

W

W

E

D

F

K

S

L

Q

F

S

E

L

V

N

N

V

V

T

K

A

A

Q

G

Y

F

R

Q

M

M

I

T

R

K

A

L

V

V

L

H

P

P

H

H

M

I

I

A

A

K

R

E

G

G

S

A

I

I

N

-

M

F

S
x
N

S

A

V
x
S

C

Y

S
|
S

S

A

I

Y

K

K

A

S

V

P

P

P

N

G

R

I

F

A

A

A

Y
|
Y

G

G

A

V

T

T

K
|
K

A

T

V

L

I

V

G

G

L

L

T

T

K

R

S

A

V

L

A

A

I

M

D

G

Y

L

V

A

T

K

K

D

G

N

I

I

R

R

C

V

N

N

A

G

I

I

C

A

P

P

G
|
G

T
x
V

V
x
I

E

K

T
|
T

P

-

S

K

L
x
M

I
x
S

Q

Q

R

V

L
|
L

H

W

D

D

T

G

G

G

D

-

F

-

E

E

K

D

A

A

Y

E

A

K

E

E

F

L

T

T

A

D

R

I

Q

Q

-

E

-

I

A

A

M

L

G

G

R

R

F

L

G

G

R

V

T

P

S

D

E

D

L

C

A

A

A

G

L

T

A

V

V

A

Y

Y

L

L

A

A

S

S

D

D

E

D

S

S

A

S

F

Y

T

I

T

T

G

G

T

E

V

M

N

I

V

I

I

I

D

A

G

G

active site: G21 (= G17), S148 (≠ V131), Y161 (= Y144), K165 (= K148)
binding isatin: S148 (≠ V131), S150 (= S133), Y161 (= Y144), V193 (≠ T176), S199 (≠ I183), L202 (= L186)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A17 (= A13), T19 (≠ G15), I22 (= I18), S41 (≠ D37), R42 (≠ V38), N43 (≠ R39), N46 (≠ A42), I69 (vs. gap), N95 (≠ C78), H96 (≠ A79), G97 (= G80), N146 (≠ S129), S148 (≠ V131), Y161 (= Y144), K165 (= K148), G192 (= G175), I194 (≠ V177), T196 (= T179), M198 (≠ L182)

5ojgA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
35% identity, 98% coverage: 3:239/242 of query aligns to 7:255/260 of 5ojgA

query
sites
5ojgA

R

R

L

F

E

E

G

G

K

K

I

V

A

A

L

I

V

V

T

T

A
|
A

A

A

G
x
T

Q

K

G
|
G

I
|
I

G

G

R

L

A

A

T

I

V

A

E

E

A

R

F

L

V

L

R

D

E

E

G

G

A

A

R

S

V

V

I

V

A

I

T

G

D
x
S

V
x
R

R
x
N

A

Q

E

K

A
x
N

L

V

D

D

-

E

G

A

L

I

E

E

G

Y

A

L

E

K

T

N

R

K

Q

G

L

L

D

T

V

K

T

V

S

A

-

G

-

I

-

A

-

G

-

H

-
x
I

-

A

-

S

-

T

-

D

-

Q

K

K

D

K

A

L

V

V

A

D

A

F

I

T

A

L

A

Q

E

K

F

F

P

G

E

K

L

I

N

N

V

I

L

L

Y

V

N

N

C
x
N

A
x
H

G
|
G

F

I

V

N

H

P

A

A

-

F

G

G

T

H

I

I

L

L

D

E

C

V

D

S

E

D

D

Q

A

V

W

W

E

D

F

K

S

L

Q

F

S

E

L

V

N

N

V

V

T

K

A

A

Q

G

Y

F

R

Q

M

M

I

T

R

K

A

L

V

V

L

H

P

P

H

H

M

I

I

A

A

K

R

E

G

G

S

A

I

I

N

-

M

F

S
x
N

S

A

V
x
S

C

Y

S

S

S

A

I

Y

K

K

A

S

V

P

P

P

N

G

R

I

F

A

A

A

Y
|
Y

G

G

A

V

T

T

K
|
K

A

T

V

L

I

V

G

G

L

L

T

T

K

R

S

A

V

L

A

A

I

M

D

G

Y

L

V

A

T

K

K

D

G

N

I

I

R

R

C

V

N

N

A

G

I

I

C

A

P
|
P

G

G

T

V

V
x
I

E

K

T
|
T

P

-

S

K

L
x
M

I

S

Q

Q

R

V

L

L

H

W

D

D

T

G

G

G

D

-

F

-

E

E

K

D

A

A

Y

E

A

K

E

E

F

L

T

T

A

D

R

I

Q

Q

-

E

-

I

A

A

M

L

G

G

R

R

F

L

G

G

R

V

T

P

S

D

E

D

L

C

A

A

A

G

L

T

A

V

V

A

Y

Y

L

L

A

A

S

S

D

D

E

D

S

S

A

S

F

Y

T

I

T

T

G

G

T

E

V

M

N

I

V

I

I

I

D

A

G

G

active site: G21 (= G17), S148 (≠ V131), Y161 (= Y144), K165 (= K148)
binding butane-2,3-dione: S148 (≠ V131), Y161 (= Y144)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A17 (= A13), T19 (≠ G15), G21 (= G17), I22 (= I18), S41 (≠ D37), R42 (≠ V38), N43 (≠ R39), N46 (≠ A42), I69 (vs. gap), N95 (≠ C78), H96 (≠ A79), G97 (= G80), N146 (≠ S129), S148 (≠ V131), Y161 (= Y144), K165 (= K148), P191 (= P174), I194 (≠ V177), T196 (= T179), M198 (≠ L182)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
35% identity, 98% coverage: 4:239/242 of query aligns to 2:239/243 of 7emgB

query
sites
7emgB

L

F

E

E

G

G

K

K

I

I

A

V

L

L

V

V

T

T

A
x
G

A

A

G
x
S

Q
x
R

G

G

I

I

G

G

R

R

A

A

T

I

V

A

E

E

A

T

F

F

V

V

R

A

E

R

G

G

A

A

R

K

V

V

I

I

A

G

T

T

-

A

-
x
T

-

S

D

E

V

S

R

G

A

A

E

E

A

A

L

I

D

S

G

G

L

Y

E

L

G

G

A

A

E

N

T

G

R

K

Q

G

L

F

D

M

V

L

T
x
N

S
x
V

K

K

D

D

A

A

-

Q

-

S

-

I

-

D

-

S

-

V

V

L

A

A

A

S

I

I

A

R

A

A

E

E

F

F

P

G

E

E

L

I

N

D

V

I

L

L

Y

V

N

N

C

N

A

A

G

G

F
x
I

V

T

H

R

A

D

G

N

T

L

I

L

L

M

D

R

C

M

D

K

E

D

D

D

A

E

W

W

E

E

F

D

S

I

Q

L

S

D

L

T

N

N

V

L

T

T

A

S

Q

V

Y

F

R

R

M

L

I

S

R

K

A

A

V

V

L

M

P

C

H

A

M

M

I

M

A

K

R

K

G

R

G

F

G

G

S

R

I

I

N

T

M

I

S

G

S

S

V

V

C

V

S

G

S

T

I

M

K

-

A

G

V

N

P

A

N

G

R

Q

F

A

A

N

Y

Y

G

A

A

A

T

A

K

K

A

A

A

G

V

L

I

I

G

G

L

F

T

S

K

K

S

S

V

L

A

A

I

R

D

E

Y

V

V

A

T

S

K

R

G

G

I

I

R

T

C

V

N

N

A

V

I

V

C

A

P

P

G

G

T

Y

V

I

E

E

T

T

P

-

S

D

L

M

I

T

Q

R

R

A

L

L

H

T

D

D

T

-

G

-

D

-

F

-

E

-

K

D

A

Q

Y

R

A

A

E

G

F

I

T

L

A

S

R

S

Q

V

A

P

M

A

G

N

R

R

F

P

G

G

R

D

T

A

S

K

E

E

L

I

A

A

A

S

L

A

A

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

E

S

A

A

G

F

Y

T

I

T

T

G

G

T

E

V

T

N

L

V

H

I

V

D

N

G

G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (≠ A13), S13 (≠ G15), R14 (≠ Q16), T36 (vs. gap), N58 (≠ T57), V59 (≠ S58), I88 (≠ F81)

P9WGT1 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase; NADH-dependent 3alpha, 20beta-hydroxysteroid dehydrogenase; EC 1.1.1.53 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
38% identity, 98% coverage: 2:239/242 of query aligns to 3:237/260 of P9WGT1

query
sites
P9WGT1

G

G

R

R

L

L

E
x
I

G

G

K

K

I

V

A

A

L

L

V

V

T

S

A

G

G

A

Q
x
R

G
|
G

I
x
M

G

G

R

A

A

S

T

H

V

V

E

R

A

A

F

M

V

V

R

A

E

E

G

G

A

A

R

K

V

V

I

V

A

F

T

G

D
|
D

V

I

R

L

A

D

E

E

A

-

L

-

D

-

G

-

L

-

E

E

G

G

A

K

E

A

T
x
V

R

A

-

A

-

E

-

L

-

A

-

D

-

A

-

R

-

Y

-

V

Q

H

L

L

D
|
D

V
|
V

T

T

S

Q

K

P

D

A

-

Q

-

W

-
x
T

-

A

A

A

V

V

A

D

A

T

I

A

A

V

A

T

E

A

F

F

P

G

E

G

L

L

N

H

V

V

L

L

Y

V

N

N

C
x
N

A

A

G

G

F

I

V

L

H

N

A

I

G

G

T

T

I

I

L

E

D

D

C

Y

D

A

E

L

D

T

A

E

W

W

E

Q

F

R

S

I

Q

L

S

D

L

V

N

N

V

L

T

T

A

G

Q

V

Y

F

R

L

M

G

I

I

R

R

A

A

V

V

L

V

P

K

H

P

M

M

I

K

A

E

R

A

G

G

G

R

G

G

S

S

I

I

N

N

M

I

S

S

S
|
S

V

I

C

-

S

E

S

G

I

L

K

A

A

G

V

T

P

V

N

A

R

C

F

H

A

G

Y
|
Y

G

T

A

A

T

T

K
|
K

A

F

A

A

V

V

I

R

G

G

L

L

T

T

K

K

S

S

V

T

A

A

I

L

D

E

Y

L

V

G

T

P

K

S

G

G

I

I

R

R

C

V

N

N

A

S

I

I

C

H

P
|
P

G
|
G

T
x
L

V
|
V

E
x
K

T
|
T

P
|
P

S

-

L

-

I

-

Q

-

R

-

L

-

H

-

D

-

T

-

G

-

D

-

F
x
M

E
x
T

K

D

A

W

Y

V

A

P

E

E

F

D

T

I

A

F

R

Q

Q

T

A

A

M

L

G

G

R

R

F

A

G

A

R

E

T

P

S

V

E

E

L

V

A

S

A

N

L

L

A

V

V

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

A

S

F

Y

T

S

T

T

G

G

T

A

V

E

N

F

V

V

I

V

D

D

G

G

I6 (≠ E5) mutation to T: Maximal improvement in solubility; when associated with M-47 and K-69.
RGM 17:19 (≠ QGI 16:18) binding
D38 (= D37) binding
V47 (≠ T51) mutation to M: Maximal improvement in solubility; when associated with T-6 and K-69.
DV 61:62 (= DV 55:56) binding
T69 (vs. gap) mutation to K: Maximal improvement in solubility; when associated with T-6 and M-47.
N88 (≠ C78) binding
S140 (= S130) mutation to A: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T6; M-47 and K-69.
Y153 (= Y144) binding ; mutation to F: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T6; M-47 and K-69.
K157 (= K148) binding
183:191 (vs. 174:193, 25% identical) binding

Query Sequence

>Ga0059261_2675 FitnessBrowser__Korea:Ga0059261_2675
MGRLEGKIALVTAAGQGIGRATVEAFVREGARVIATDVRAEALDGLEGAETRQLDVTSKD
AVAAIAAEFPELNVLYNCAGFVHAGTILDCDEDAWEFSQSLNVTAQYRMIRAVLPHMIAR
GGGSIINMSSVCSSIKAVPNRFAYGATKAAVIGLTKSVAIDYVTKGIRCNAICPGTVETP
SLIQRLHDTGDFEKAYAEFTARQAMGRFGRTSELAALAVYLASDESAFTTGTVNVIDGGW
VN

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory