SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_2819 FitnessBrowser__Korea:Ga0059261_2819 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)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
33% identity, 96% coverage: 5:218/222 of query aligns to 5:241/245 of 4k6fB

query
sites
4k6fB

I

V

V

V

T

T

G
|
G

G

G

L

M

G

G

G
|
G

L

L

G

G

R

E

A

A

V

V

V

S

T

I

T

R

L

L

K

N

S

D

R

A

G

G

H

H

R

R

V

V

A

-

V

V

D

T

I
x
Y

A
x
S

S

P

G

N

Q
x
N

S

T

D

G

A

A

D

D

R

R

V

W

I

L

A

T

G

E

-

M

-

H

-

A

-

G

-

R

-

E

-

F

-

H

-

A

-

Y

-

P

V
|
V

D
|
D

L
x
V

A

A

D

D

E

H

T

D

A

S

V

C

A

Q

T

Q

A

C

F

I

S

E

E

K

A

I

A

V

G

R

A

D

L

V

G

G

E

P

I

V

D

D

A

I

L

L

V

V

N

N

V

N

A
|
A

G
|
G

G
x
I

F

T

T

R

W

D

E

M

P

T

V

L

E

R

T

K

G

L

S

D

M

K

A

V

S
x
N

W

W

D

D

A

A

M

V

Y

I

R

R

I

T

N

N

L

L

R

D

T

S

A

V

A

F

I

N

S

M

S

T

R

K

A

P

V

V

L

C

P

D

H

G

L

M

K

V

S

E

-

R

-

G

-

W

G

G

A

R

I

I

V

V

N

N

V

I

G

S

A
x
S

A

V

A

N

S

G

A

S

A

K

P

G

G

S

M

V

G

G

M

Q

A

T

P

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

V

M

M

H

A

G

L

F

T

T

E

K

S

S

L

L

A

A

E

L

E

E

L

I

R

A

G

R

R

K

G

G

I

V

R

T

V

V

N

N

A

T

I

V

L

S

P

P

T

G

I

Y

L

L

D

A

T

T

P

K

-

M

-

V

-

T

A

A

N

I

R

P

K

Q

D

D

M

I

P

L

D

D

A

T

D

K

-

I

-

L

-

P

-

Q

-

I

P

P

A

A

G

G

W

R

V

L

-

G

S

K

L

P

E

E

S

E

A

V

A

A

V

L

V

V

A

A

F

Y

L

L

L

C

S

S

Q

E

D

E

A

A

A

G

A

F

I

V

T

T

G

G

T

S

G

N

I

I

K

A

L

I

S

N

L

G

G

G

active site: G12 (= G12), N102 (≠ S91), S138 (≠ A124), Y151 (= Y137), K155 (= K141)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), Y32 (≠ I33), S33 (≠ A34), N36 (≠ Q37), V58 (= V47), D59 (= D48), V60 (≠ L49), A87 (= A76), G88 (= G77), I89 (≠ G78)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
30% identity, 89% coverage: 4:201/222 of query aligns to 10:218/255 of 5itvA

query
sites
5itvA

V

V

I

L

V

I

T

T

G
|
G

G

G

L

A

G
x
S

G
|
G

L
x
I

G

G

R

Y

A

A

V

A

V

V

T

Q

T

A

L

F

K

L

S

G

R

Q

G

Q

H

A

R

N

V

V

A

V

V

A

D
|
D

I
|
I

A

D

S

E

G

A

Q

Q

S

G

D

E

A

A

-

M

-

V

-

R

-

K

-

E

-

N

D

D

R

R

V

L

-

H

I

F

A

V

G

Q

V
x
T

D

D

L
x
I

A

T

D

D

E

E

T

A

A

A

V

C

A

Q

T

H

A

A

F

V

S

E

E

S

A

A

A

V

G

H

A

T

L

F

G

G

E

G

I

L

D

D

A

V

L

L

V

I

N

N

V
x
N

A

A

G
|
G

G

I

F

E

T

I

W

V

E

A

P

P

V

I

E

H

T

E

G

M

S

E

M

L

A

S

S

D

W

W

D

N

A

K

M

V

Y

L

R

Q

I

V

N

N

L

L

R

T

T

G

A

M

A

F

I

L

S

M

S

S

R

K

A

H

V

A

L

L

P

K

H

H

L

M

K

L

-

A

-

G

S

K

G

G

A

N

I

I

V

I

N

N

V
x
T

G

C

A
x
S

A

V

A

G

S

G

A

L

A

V

P

A

G

W

M

P

G

D

M

I

A

P

P

A

Y
|
Y

A

N

A

A

S

S

K
|
K

A

G

G

G

V

V

M

L

A

Q

L

L

T

T

E

K

S

S

L

M

A

A

E

V

E

D

L

Y

R

A

G

K

R

H

G

Q

I

I

R

R

V

V

N

N

A

C

I

V

L

C

P
|
P

T
x
G

I
|
I

L
x
I

D

D

T

T

P

P

A

L

N

N

R

E

K

K

D

S

M

F

P

L

D

E

A

N

D

N

P

E

A

G

G

T

W

L

V

E

S

E

L

I

E

K

S

K

A

E

A

K

A

A

V

K

V

V

A

N

F

P

L

L

active site: G18 (= G12), S141 (≠ A124), Y154 (= Y137), K158 (= K141)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G8), S17 (≠ G11), G18 (= G12), I19 (≠ L13), D38 (= D32), I39 (= I33), T61 (≠ V47), I63 (≠ L49), N89 (≠ V75), G91 (= G77), T139 (≠ V122), S141 (≠ A124), Y154 (= Y137), K158 (= K141), P184 (= P167), G185 (≠ T168), I186 (= I169), I187 (≠ L170)

P09417 Dihydropteridine reductase; HDHPR; Quinoid dihydropteridine reductase; Short chain dehydrogenase/reductase family 33C member 1; EC 1.5.1.34 from Homo sapiens (Human) (see 6 papers)
33% identity, 94% coverage: 3:210/222 of query aligns to 12:218/244 of P09417

query
sites
P09417

H

R

V

V

I
x
L

V

V

T

Y

G
|
G

L

R

G

G

G

A

L

L

G
|
G

R

S

A

R

V

C

V

V

T

Q

T

A

L

F

K

R

S

A

R

R

G

N

H

W

R

W

V

V

V

A

A

S

V

V

D

D

I

V

A

V

S

E

G

N

Q

E

S

E

D

A

A

S

D

A

R
x
S

V

I

I

I

A

V

G

K

V

M

D

T

L

D

A

S

D

F

E

T

T

E

A

Q

V

A

A

D

T
x
Q

A

V

F

T

S

A

E

E

A

V

A

G

G

K

A

L

L

L

G

G

E

E

-

E

-

K

I

V

D

D

A

A

L

I

V

L

N

C

V

V

A

A

G

G

F

W

T

A

W

G

E

G

P

N

V

A

E

K

T

S

G

K

S

S

M

L

-

F

A

K

S

N

W

C

D

D

A

L

M

M

Y

W

R

K

I

Q

N

S

L

I

R

W

T

T

A

S

A

T

I

I

S

S

R

H

A

L

V

A

L

T

P

K

H

H

L

L

K

K

S

E

G

G

A

G

I

L

V

L

N

T

V

L

G

A

A

G

A

A

A

K

S

A

A

A

A

L

P

D

G

G

M

T

-

P

G

G

M

M

A

I

P

G

Y
|
Y

A

G

A

M

S

A

K

K

A

G

G

A

V

V

M
x
H

A

Q

L

L

T

C

E

Q

S

S

L

L

A

A

E

G

E

K

L

N

R

S

G

G

R

M

-

P

G

G

I

A

R

A

V

A

N

I

A

A

I

V

L

L

P

P

T

V

I

T

L

L

D

D

T

T

P

P

A

M

N

N

R

R

K

K

D

S

M

M

P

P

D

E

A

A

D

D

P

F

A

S

G

S

W

W

V

T

S

P

L

L

E

E

S

-

A

-

V

-

A

-

F

F

L

L

L

V

S

E

Q

T

D

F

A

H

A

D

A

W

I

I

T

T

G

G

L14 (≠ I5) to P: in HPABH4C; severe; dbSNP:rs756639609
G17 (= G8) to R: in HPABH4C; severe; dbSNP:rs757483045; to V: in HPABH4C; severe
G18 (= G9) to D: in HPABH4C; severe; dbSNP:rs1278371188
G23 (= G14) to D: in HPABH4C; severe; dbSNP:rs104893863
S51 (≠ R42) natural variant: S -> T
Q66 (≠ T57) to R: in HPABH4C; severe; dbSNP:rs1252488251
Y150 (= Y137) to C: in HPABH4C; mild; dbSNP:rs104893866
H158 (≠ M145) to Y: in HPABH4C; severe; dbSNP:rs750201480

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine

2cfcA Structural basis for stereo selectivity in the (r)- and (s)-hydroxypropylethane thiosulfonate dehydrogenases (see paper)
34% identity, 80% coverage: 5:181/222 of query aligns to 6:201/250 of 2cfcA

query
sites
2cfcA

I

I

V

V

T

T

G
|
G

G

A

L

S

G
x
S

G
|
G

L
x
N

G

G

R

L

A

A

V

I

V

A

T

T

T

R

L

F

K

L

S

A

R

R

G

G

H

D

R

R

V

V

V

A

A

A

V

L

D
|
D

I
x
L

A

S

S

A

G

E

-

T

-

L

-

E

-

T

-

A

-

R

-

T

-

H

-

W

Q

H

S

A

D

Y

A

A

D

D

R

K

V

V

I

L

-

R

A

V

G

R

V
x
A

D
|
D

L
x
V

A

A

D

D

E

E

T

G

A

D

V

V

A

N

T

A

A

A

F

I

S

A

E

A

A

T

A

M

G

E

A

Q

L

F

G

G

E

A

I

I

D

D

A

V

L

L

V

V

N

N

-
x
N

-
x
A

-
x
G

V

I

A

T

G

G

G

N

F

S

T

E

W

A

E

G

P

V

V

L

E

H

T

T

G

T

S

P

M

V

A

E

S

Q

W

F

D

D

A

K

M

V

Y

M

R

A

I

V

N

N

L

V

R

R

T

G

A

I

A

F

I

L

S

G

S

C

R

R

A

A

V

V

L

L

P

P

H

H

L

M

K

L

-

L

-

Q

-

G

S

A

G

G

A

V

I

I

V

V

N

N

V
x
I

G

A

A
x
S

A

V

A

A

S

S

A

L

A

V

P

A

G
x
F

M

P

G

G

M
x
R

A

S

P

A

Y
|
Y

A

T

S

S

K
|
K

A

G

G

A

V

V

M

L

A

Q

L

L

T

T

E

K

S

S

L

V

A

A

E

V

E

D

L

Y

R

A

G

G

R

S

G

G

I

I

R

R

V

C

N

N

A

A

I

V

L

C

P
|
P

T
x
G

I
x
M

L
x
I

D

E

T
|
T

P
|
P

A
x
M

N
x
T

-

Q

-
x
W

R
|
R

K

L

D

D

M

Q

P

P

D

E

active site: G13 (= G12), S142 (≠ A124), Y155 (= Y137), K159 (= K141)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ G131), R152 (≠ M134), Y155 (= Y137), W195 (vs. gap), R196 (= R176)
binding nicotinamide-adenine-dinucleotide: G9 (= G8), S12 (≠ G11), G13 (= G12), N14 (≠ L13), D33 (= D32), L34 (≠ I33), A59 (≠ V47), D60 (= D48), V61 (≠ L49), N87 (vs. gap), A88 (vs. gap), G89 (vs. gap), I140 (≠ V122), P185 (= P167), G186 (≠ T168), M187 (≠ I169), I188 (≠ L170), T190 (= T172), P191 (= P173), M192 (≠ A174), T193 (≠ N175)

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)
34% identity, 80% coverage: 5:181/222 of query aligns to 6:201/250 of Q56840

query
sites
Q56840

I

I

V

V

T

T

G

G

G

A

L

S

G
x
S

G
|
G

L
x
N

G

G

R

L

A

A

V

I

V

A

T

T

T

R

L

F

K

L

S

A

R

R

G

G

H

D

R

R

V

V

V

A

A

A

V

L

D
|
D

I

L

A

S

S

A

G

E

-

T

-

L

-

E

-

T

-

A

-

R

-

T

-

H

-

W

Q

H

S

A

D

Y

A

A

D

D

R

K

V

V

I

L

-

R

A

V

G

R

V

A

D
|
D

L
x
V

A

A

D

D

E

E

T

G

A

D

V

V

A

N

T

A

A

A

F

I

S

A

E

A

A

T

A

M

G

E

A

Q

L

F

G

G

E

A

I

I

D

D

A

V

L

L

V

V

N

N

-
x
N

-

A

-

G

V

I

A

T

G

G

G

N

F

S

T

E

W

A

E

G

P

V

V

L

E

H

T

T

G

T

S

P

M

V

A

E

S

Q

W

F

D

D

A

K

M

V

Y

M

R

A

I

V

N

N

L

V

R

R

T

G

A

I

A

F

I

L

S

G

S

C

R

R

A

A

V

V

L

L

P

P

H

H

L

M

K

L

-

L

-

Q

-

G

S

A

G

G

A

V

I

I

V

V

N

N

V

I

G

A

A
x
S

A

V

A

A

S

S

A

L

A

V

P

A

G

F

M

P

G

G

M
x
R

A

S

P

A

Y
|
Y

A

T

S

S

K
|
K

A

G

G

A

V

V

M

L

A

Q

L

L

T

T

E

K

S

S

L

V

A

A

E

V

E

D

L

Y

R

A

G

G

R

S

G

G

I

I

R
|
R

V

C

N

N

A

A

I

V

L

C

P

P

T

G

I

M

L
x
I

D
x
E

T
|
T

P
|
P

A
x
M

N

T

-

Q

-
x
W

R
|
R

K

L

D

D

M

Q

P

P

D

E

SGN 12:14 (≠ GGL 11:13) binding
D33 (= D32) binding
DV 60:61 (≠ DL 48:49) binding
N87 (vs. gap) binding
S142 (≠ A124) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ M134) 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 (= Y137) mutation Y->E,F: Loss of activity.
K159 (= K141) mutation to A: Loss of activity.
R179 (= R161) mutation to A: Loss of activity.
IETPM 188:192 (≠ LDTPA 170:174) binding
WR 195:196 (≠ -R 176) binding
R196 (= R176) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
203 R→A: Slight decrease in catalytic efficiency.
209 R→A: Does not affect catalytic efficiency.

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
33% identity, 93% coverage: 5:211/222 of query aligns to 14:242/258 of 4wecA

query
sites
4wecA

I

V

V

I

T

T

G
|
G

G

G

L
x
A

G
x
S

G
|
G

L
x
I

G

G

R

L

A

A

V

T

V

G

T

R

L

L

K

R

S

A

R

E

G

G

H

A

R

T

V

V

A

V

V

G

D
|
D

I
|
I

-

D

-

P

A

T

S

T

G

G

Q

K

S

A

D

A

A

A

D

D

R

E

V

L

-

E

-

G

-

L

I

F

A

V

G

P

V
|
V

D
|
D

L
x
V

A

S

D

E

E

Q

T

E

A

A

V

V

A

D

T

N

A

L

F

F

S

D

E

T

A

A

G

S

A

T

L

F

G

G

E

R

I

V

D

D

A

I

L

A

V

F

N

N

V
x
N

A

A

G

G

G

I

F

S

T

P

W

P

E

E

P

D

-

D

-

L

V

I

E

E

T

N

G

T

S

D

M

L

A

P

S

A

W

W

D

Q

A

R

M

V

Y

Q

R

D

I

I

N

N

L

L

R

K

T

S

A

V

A

Y

I

L

S

S

S

C

R

R

A

A

V

A

L

L

P

R

H

H

L

M

-

V

-

P

-

A

K

G

S

K

G

G

A

S

I

I

V

I

N

N

V
x
T

G

-

A

-

A

A

S
|
S

A

F

A

V

P

A

G

V

M

M

G

G

M

S

A

A

-

T

-

S

-
x
Q

-

I

P

S

Y
|
Y

A

T

A

A

S

S

K
|
K

A

G

G

G

V

V

M

L

A

A

L

M

T

S

E

R

S

E

L

L

A

G

E

V

E

Q

L

Y

R

A

G

R

R

Q

G

G

I

I

R

R

V

V

N

N

A

A

I

L

L

C

P
|
P

T

G

I
x
P

L
x
V

D

N

T

T

P

P

A

L

N

-

R

L

K

Q

D

E

M

L

P

F

D

A

A

K

D

D

P

P

A

E

-

R

-

A

-

R

-

L

-

V

-

H

-

I

-

P

-

L

-

G

G

R

W

F

V

A

S

E

L

P

E

E

S

E

A

L

A

A

V

A

V

V

A

A

F

F

L

L

L

A

S

S

Q

D

D

D

A

A

A

S

A

F

I

I

T

T

G

G

T

S

active site: G21 (= G12), S143 (= S127), Q154 (vs. gap), Y157 (= Y137), K161 (= K141)
binding nicotinamide-adenine-dinucleotide: G17 (= G8), A19 (≠ L10), S20 (≠ G11), G21 (= G12), I22 (≠ L13), D41 (= D32), I42 (= I33), V61 (= V47), D62 (= D48), V63 (≠ L49), N89 (≠ V75), T141 (≠ V122), Y157 (= Y137), K161 (= K141), P187 (= P167), P189 (≠ I169), V190 (≠ L170)

P11348 Dihydropteridine reductase; HDHPR; Quinoid dihydropteridine reductase; EC 1.5.1.34 from Rattus norvegicus (Rat) (see paper)
32% identity, 94% coverage: 3:211/222 of query aligns to 9:216/241 of P11348

query
sites
P11348

H

R

V

V

I

L

V

V

T

Y

G

G

L

R

G

G

G

A

L

L

G

G

R

S

A

R

V

C

V

V

T

Q

T

A

L

F

K

R

S

A

R

R

G

N

H

W

R

W

V

V

V

A

A

S

V

I

D
|
D

I

V

A

V

S

E

G

N

Q

E

S

E

D

A

A

S

D

A

R

S

V

V

I

I

A

V

G

K

V

M

D

T

L

D

A

S

D

F

E

T

T

E

A

Q

V

A

A

D

T

Q

A

V

F

T

S

A

E

E

A

V

A

G

G

K

A

L

L

L

G

G

E

D

-

Q

-

K

I

V

D

D

A

A

L

I

V

L

N

C

V

V

A

A

G

G

F

W

T

A

W

G

E

G

P

N

V

A

E

K

T

S

G

K

S

S

M

L

-

F

A

K

S

N

W

C

D

D

A

L

M

M

Y
x
W

R

K

I

Q

N

S

L

I

R

W

T

T

A

S

A

T

I

I

S

S

R

H

A

L

V

A

L

T

P

K

H

H

L

L

K

K

S

E

G

G

A

G

I

L

V

L

N

T

V

L

G

A

A

G

A

A

A

K

S

A

A

A

A

L

P

D

G

G

M

T

-

P

G

G

M

M

A

I

P

G

Y

Y

A

G

A

M

S

A

K

K

A

G

G

A

V

V

M

H

A

Q

L

L

T

C

E

Q

S

S

L

L

A

A

E

G

E

K

L

N

R

S

G

G

-

M

-

P

R

S

G

G

I

A

R

A

V

A

N

I

A

A

I

V

L

L

P

P

T

V

I

T

L

L

D

D

T

T

P

P

A

M

N

N

R

R

K

K

D

S

M

M

P

P

D

E

A

A

D

D

P

F

A

S

G

S

W

W

V

T

S

P

L

L

E

E

S

-

A

-

V

-

A

-

F

F

L

L

L

V

S

E

Q

T

D

F

A

H

A

D

A

W

I

I

T

T

G

G

T

N

D38 (= D32) mutation to I: 3-fold decrease in catalytic efficiency for NADH.
W105 (≠ Y96) mutation to F: No significant effect on catalytic efficiency for NADH.

Sites not aligning to the query:

7 A→V: No significant effect on catalytic efficiency for NADH.

1dhrA Crystal structure of rat liver dihydropteridine reductase (see paper)
32% identity, 94% coverage: 3:211/222 of query aligns to 4:211/236 of 1dhrA

query
sites
1dhrA

H

R

V

V

I

L

V

V

T
x
Y

G

G

L

R

G
|
G

G
x
A

L
|
L

G

G

R

S

A

R

V

C

V

V

T

Q

T

A

L

F

K

R

S

A

R

R

G

N

H

W

R

W

V

V

V

A

A

S

V

I

D
|
D

I

V

A

V

S

E

G

N

Q

E

S

E

D

A

A

S

D

A

R

S

V

V

I

I

A
x
V

G

K

V

M

D

T

L

D

A

S

D

F

E

T

T

E

A

Q

V

A

A

D

T

Q

A

V

F

T

S

A

E

E

A

V

A

G

G

K

A

L

L

L

G

G

E

D

-

Q

-

K

I

V

D

D

A

A

L

I

V

L

N

C

V
|
V

A
|
A

G
|
G

G

G

F

W

T

A

W

G

E

G

P

N

V

A

E

K

T

S

G

K

S

S

M

L

-

F

A

K

S

N

W

C

D

D

A

L

M

M

Y

W

R

K

I
x
Q

N

S

L

I

R

W

T
|
T

A

S

A

T

I

I

S

S

R

H

A

L

V

A

L

T

P

K

H

H

L

L

K

K

S

E

G

G

A

G

I

L

V

L

N

T

V

L

G
x
A

A

G

A

A

A

K

S

A

A

A

A

L

P

D

G

G

M

T

-

P

G

G

M

M

A

I

P

G

Y
|
Y

A

G

A

M

S

A

K
|
K

A

G

G

A

V

V

M

H

A

Q

L

L

T

C

E

Q

S

S

L

L

A

A

E

G

E

K

L

N

R

S

G

G

-

M

-

P

R

S

G

G

I

A

R

A

V

A

N

I

A

A

I

V

L

L

P

P

T
x
V

I
x
T

L
|
L

D

D

T

T

P

P

A

M

N
|
N

R

R

K

K

D

S

M

M

P

P

D

E

A

A

D

D

P

F

A

S

G

S

W

W

V

T

S

P

L

L

E

E

S

-

A

-

V

-

A

-

F

F

L

L

L

V

S

E

Q

T

D

F

A

H

A

D

A

W

I

I

T

T

G

G

T

N

active site: Y142 (= Y137), K146 (= K141)
binding nicotinamide-adenine-dinucleotide: Y8 (≠ T7), G12 (= G11), A13 (≠ G12), L14 (= L13), D33 (= D32), V46 (≠ A45), V78 (= V75), A79 (= A76), G80 (= G77), Q102 (≠ I98), T106 (= T102), A127 (≠ G123), Y142 (= Y137), V175 (≠ T168), T176 (≠ I169), L177 (= L170), N182 (= N175)

3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
30% identity, 93% coverage: 4:210/222 of query aligns to 16:247/267 of 3ay6B

query
sites
3ay6B

V

V

I

V

V

I

T

T

G
|
G

G

G

L

S

G
x
T

G
|
G

L
|
L

G

G

R

R

A

A

V

M

V

A

T

V

T

R

L

F

K

G

S

Q

R

E

G

E

H

A

R

K

V

V

A

-

V

I

D

N

I

Y

A
x
Y

S

N

G

N

Q

E

S

E

D

E

A

A

-

L

-

D

-

A

-

K

-

E

-

V

-

E

-

A

-

G

D

Q

R

A

V

I

I

I

A

V

G

Q

V

G

D
|
D

L
x
V

A

T

D

K

E

E

T

E

A

D

V

V

A

V

T

N

A

L

F

V

S

Q

E

T

A

A

A

I

G

K

A

E

L

F

G

G

E

T

I

L

D

D

A

V

L

M

V

I

N

N

V
x
N

A
|
A

G
|
G

G
x
V

F
x
E

T

N

W

P

E

V

P

P

V

S

E

H

T

E

G

L

S

S

M

L

A

D

S

N

W

W

D

N

A

K

M

V

Y

I

R

D

I

T

N

N

L

L

R

T

T

G

A

A

A

F

I

L

S

G

S

S

R

R

A

E

V

A

L

I

P

K

H

Y

L

F

K

V

S

E

-

N

-

D

-

I

-

K

G

G

A

N

I

V

V

I

N

N

V
x
M

G

S

A
x
S

A

V

A
x
H

S

E

A

M

A

I

P

P

G
x
W

M

P

G

L

M

F

A

V

P

H

Y
|
Y

A

A

S

S

K
|
K

A

G

G

G

V

M

M

K

A

L

L

M

T

T

E

E

S

T

L

L

A

A

E

L

E

E

L

Y

R

A

G

P

R

K

G

G

I

I

R

R

V

V

N

N

A

N

I

I

L

G

P
|
P

T
x
G

I

A

L
x
M

D

N

T
|
T

P
|
P

A
x
I

N
|
N

-

A

-

E

-
x
K

-

F

-

A

-

D

-

P

-

V

-

Q

R

R

K

A

D

D

M

V

P

E

D

S

A

M

D

I

P

P

A

M

G

G

W

Y

V

I

-

G

S

K

L

P

E

E

S

E

A

V

A

A

V

V

V

A

A

A

F

F

L

L

L

A

S

S

Q

S

D

Q

A

A

A

S

A

Y

I

V

T

T

G

G

active site: G24 (= G12), S151 (≠ A124), Y164 (= Y137), K168 (= K141)
binding beta-D-glucopyranose: E102 (≠ F79), S151 (≠ A124), H153 (≠ A126), W158 (≠ G131), Y164 (= Y137), N202 (= N175), K205 (vs. gap)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G8), T23 (≠ G11), G24 (= G12), L25 (= L13), Y45 (≠ A34), D71 (= D48), V72 (≠ L49), N98 (≠ V75), A99 (= A76), G100 (= G77), V101 (≠ G78), M149 (≠ V122), S151 (≠ A124), Y164 (= Y137), K168 (= K141), P194 (= P167), G195 (≠ T168), M197 (≠ L170), T199 (= T172), P200 (= P173), I201 (≠ A174), N202 (= N175)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
31% identity, 96% coverage: 5:218/222 of query aligns to 9:236/239 of 4nbtA

query
sites
4nbtA

I

V

V

I

T

T

G
|
G

G

G

L

A

G
x
K

G
|
G

L
|
L

G

G

R

Q

A

A

V

I

V

A

T

L

T

A

L

Y

K

A

S

E

R

E

G

G

H

A

R

K

V

V

V

I

A

A

V

G

D
|
D

I
x
L

A

G

S

D

G

L

Q

T

S

Y

D

S

A

H

D

P

R

N

V

V

I

E

A

G

-

M

G

Y

V
x
L

D
x
N

L
x
V

A

T

D

D

E

V

T

T

A

G

V

V

A

E

T

K

A

F

F

Y

S

Q

E

S

A

V

A

I

G

D

A

K

L

Y

G

G

E

K

I

I

D

D

A

I

L

L

V

V

N

N

V
x
N

A
|
A

G
|
G

G

I

F

T

T

K

W

D

E

A

P

M

V

T

E

R

T

K

G

M

S

T

M

E

A

A

S

Q

W

W

D

D

A

A

M

V

Y

I

R

D

I

V

N

N

L

L

R

K

T

G

A

V

A

F

I

N

S

L

S

T

R

R

A

L

V

V

L

G

P

P

H

Q

L

M

K

Q

S

T

-

N

-

G

-

Y

G

G

A

S

I

I

V

I

N

N

V
x
I

G

S

A
x
S

A

V

S

G

A

V

A

F

P

G

G

N

M

I

G

G

M

Q

A

A

P

N

Y
|
Y

A

A

S

T

K
|
K

A

A

G

G

V

V

M

I

A

G

L

L

T

T

E

M

S

T

L

W

A

A

E

K

E

E

-

F

-

A

L

L

R

K

G

G

R

A

G

N

I

V

R

R

V

V

N

N

A

A

I

I

L

A

P
|
P

T
x
G

I

Y

L
x
I

D

M

T
|
T

P

D

A

I

N

-

R

L

K

K

D

T

M

V

P

P

D

Q

A

D

D

L

P

L

A

D

G

K

W

F

V

A

S

A

L

L

-

T

-

M

-

L

-

N

-

R

-

L

-

G

-

Q

-

P

E

E

S

E

A

I

A

A

A

K

V

V

V

A

A

L

F

F

L

L

L

A

S

S

Q

D

D

D

A

A

A

S

A

Y

I

V

T

T

G

G

T

Q

G

T

I

I

K

N

L

V

S

N

L

G

G

G

active site: G16 (= G12), S132 (≠ A124), Y145 (= Y137), K149 (= K141)
binding nicotinamide-adenine-dinucleotide: G12 (= G8), K15 (≠ G11), G16 (= G12), L17 (= L13), D36 (= D32), L37 (≠ I33), L52 (≠ V47), N53 (≠ D48), V54 (≠ L49), N80 (≠ V75), A81 (= A76), G82 (= G77), I130 (≠ V122), S132 (≠ A124), Y145 (= Y137), K149 (= K141), P177 (= P167), G178 (≠ T168), I180 (≠ L170), T182 (= T172)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
32% identity, 95% coverage: 5:215/222 of query aligns to 12:241/247 of 7tzpG

query
sites
7tzpG

I

I

V

V

T

T

G
|
G

G

A

L

A

G
x
R

G
|
G

L
x
I

G

G

R

F

A

G

V

I

V

A

T

Q

T

V

L

L

K

A

S

R

R

E

G

G

H

A

R

R

V

V

V

I

A

I

V

A

D
|
D

I
x
R

-

D

A

A

S

H

G

G

Q

E

-

A

-

S

-

L

-

R

-

E

S

S

D

G

A

A

D

Q

R

A

V

L

I

F

A

I

G

S

V
x
C

D

N

L
x
I

A

A

D

E

E

K

T

T

A

Q

V

V

A

E

T

A

A

L

F

F

S

S

E

Q

A

A

A

E

G

E

A

A

L

F

G

G

E

P

I

V

D

D

A

I

L

L

V

V

N

N

V
x
N

A

A

G
|
G

G
x
I

F

N

T

R

W

D

E

A

P

M

V

L

E

H

T

K

G

L

S

T

M

E

A

A

S

D

W

W

D

D

A

T

M

V

Y

I

R

D

I
x
V

N

N

L

L

R

K

T

G

A

T

A

F

I

L

S

C

S

M

R

Q

A

Q

V

A

L

A

P

I

H

R

L

M

K

R

-

E

-

R

-

G

S

A

G

G

A

R

I

I

V

I

N

N

V

I

G

-

A

A

A

S

A

A

S

S

A

W

A

L

P

G

G

N

M

V

G

G

M

Q

A

T

P

N

Y
|
Y

A

S

A

A

S

S

K
|
K

A

A

G

G

V

V

M

V

A

G

L

M

T

T

E

K

S

T

L

A

A

C

E

R

E

E

L

L

R

A

G

K

R

K

G

G

I

V

R

T

V

V

N

N

A

A

I

I

L

C

P

P

T

G

I

F

L
x
I

D

D

T
|
T

P

D

A

M

N
x
T

R

R

-

G

-

V

-

P

-

E

-

N

-

V

-

W

K

Q

D

I

M

M

P

V

D

S

A

K

D

I

P

P

A

A

G

G

W

Y

V

A

-

G

S

E

L

A

E

K

S

D

A

V

A

G

A

E

V

C

V

V

A

A

F

F

L

L

L

A

S

S

Q

D

D

G

A

A

A

R

A

Y

I

I

T

N

G

G

T

E

G

V

I

I

K

N

L

V

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G8), R18 (≠ G11), G19 (= G12), I20 (≠ L13), D39 (= D32), R40 (≠ I33), C63 (≠ V47), I65 (≠ L49), N91 (≠ V75), G93 (= G77), I94 (≠ G78), V114 (≠ I98), Y155 (= Y137), K159 (= K141), I188 (≠ L170), T190 (= T172), T193 (≠ N175)

1iy8A Crystal structure of levodione reductase (see paper)
31% identity, 99% coverage: 4:222/222 of query aligns to 7:257/258 of 1iy8A

query
sites
1iy8A

V

V

I

L

V

I

T

T

G
|
G

G

G

L

G

G
x
S

G
|
G

L
|
L

G

G

R

R

A

A

V

T

V

A

T

V

T

R

L

L

K

A

S

A

R

E

G

G

H

A

R

K

V

L

V

S

A

L

V

V

D
|
D

I
x
V

A

S

S

S

G

E

-

G

-

L

-

E

-

A

-

S

-

K

-

A

-

V

-

L

-

E

-

T

Q

A

S

P

D

D

A

A

D

E

R

V

V

L

I

T

A

T

G

V

V
x
A

D
|
D

L
x
V

A

S

D

D

E

E

T

A

A

Q

V

V

A

E

T

A

A

Y

F

V

S

T

E

A

A

T

G

E

A

R

L

F

G

G

E

R

I

I

D

D

A

G

L

F

V

F

N

N

V
x
N

A

A

G
|
G

-
x
I

G

E

F

G

T

K

W

Q

E

N

P

P

V

T

E

E

T

S

G

F

S

T

M

A

A

A

S

E

W

F

D

D

A

K

M

V

Y

V

R

S

I

I

N

N

L

L

R

R

T

G

A

V

A

F

I

L

S

G

S

L

R

E

A

K

V

V

L

L

P

K

H

I

L

M

K

R

-

E

-

Q

-

G

S

S

G

G

A

M

I

V

V

V

N

N

V
x
T

G

-

A

A

A
x
S

A

V

S

G

A

G

A

I

P

R

G

G

M

I

G

G

-

N

M
x
Q

A

S

P

G

Y
|
Y

A

A

S

A

K
|
K

A

H

G

G

V

V

M

V

A

G

L

L

T

T

E

R

S

N

L

S

A

A

E

V

E

E

L

Y

R

G

G

R

R

Y

G

G

I

I

R

R

V

I

N

N

A

A

I

I

L

A

P
|
P

T
x
G

I

A

L

I

D

W

T
|
T

P
|
P

A
x
M

N

V

R

E

K

N

D

S

M

M

P

K

D

Q

A

L

D

D

P

P

A

E

G

N

-

P

-

R

-

K

-

A

-

E

W

F

V

I

S

Q

L

V

E

N

S

P

A

S

-

K

-

R

-

Y

-

G

-

E

-

A

-

P

-

E

-

I

A

A

V

V

A

A

F

F

L

L

S

S

Q

D

D

D

A

A

A

S

A

Y

I

V

T

N

G

A

T

T

G

V

I

V

K

P

L

I

S

D

L

G

G

G

T

Q

A

S

G

A

A

A

active site: G15 (= G12), S143 (≠ A125), Q153 (≠ M134), Y156 (= Y137), K160 (= K141)
binding nicotinamide-adenine-dinucleotide: G11 (= G8), S14 (≠ G11), G15 (= G12), L16 (= L13), D35 (= D32), V36 (≠ I33), A62 (≠ V47), D63 (= D48), V64 (≠ L49), N90 (≠ V75), G92 (= G77), I93 (vs. gap), T141 (≠ V122), S143 (≠ A125), Y156 (= Y137), K160 (= K141), P186 (= P167), G187 (≠ T168), T191 (= T172), P192 (= P173), M193 (≠ A174)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
31% identity, 99% coverage: 4:222/222 of query aligns to 16:266/267 of Q9LBG2

query
sites
Q9LBG2

V

V

I
x
L

V
x
I

T
|
T

G
|
G

L
x
G

G
x
S

G
|
G

L
|
L

G
|
G

R
|
R

A
|
A

V
x
T

V
x
A

T
x
V

T
x
R

L
|
L

K
x
A

S
x
A

R
x
E

G
|
G

H
x
A

R
x
K

V
x
L

V
x
S

A
x
L

V

V

D

D

I

V

A

S

S

S

G

E

-

G

-

L

-

E

-

A

-

S

-

K

-

A

-

V

-

L

-

E

-

T

Q

A

S

P

D

D

A

A

D

E

R

V

V

L

I

T

A

T

G

V

V

A

D

D

L

V

A

S

D

D

E

E

T

A

A

Q

V

V

A

E

T

A

A

Y

F

V

S

T

E

A

A

T

G

E

A

R

L

F

G

G

E

R

I

I

D

D

A

G

L

F

V

F

N

N

V

N

A

A

G

G

-

I

G
x
E

F

G

T

K

W

Q

E

N

P

P

V

T

E

E

T

S

G

F

S

T

M

A

A

A

S

E

W

F

D

D

A

K

M

V

Y

V

R

S

I

I

N

N

L

L

R

R

T

G

A

V

A

F

I

L

S

G

S

L

R

E

A

K

V

V

L

L

P

K

H

I

L

M

K

R

-

E

-

Q

-

G

S

S

G

G

A

M

I

V

V

V

N

N

V

T

G

-

A

A

A

S

A

V

S

G

A

G

A

I

P

R

G

G

M

I

G

G

-

N

M

Q

A

S

P

G

Y

Y

A

A

S

A

K

K

A

H

G

G

V

V

M

V

A

G

L

L

T

T

E

R

S

N

L

S

A

A

E

V

E

E

L

Y

R

G

G

R

R

Y

G

G

I

I

R

R

V

I

N

N

A

A

I

I

L

A

P

P

T

G

I

A

L

I

D

W

T

T

P

P

A

M

N

V

R

E

K

N

D

S

M

M

P

K

D

Q

A

L

D

D

P

P

A

E

G

N

-

P

-

R

-

K

-

A

-

E

W

F

V

I

S

Q

L

V

E

N

S

P

A

S

-

K

-

R

-

Y

-

G

-

E

-

A

-

P

-

E

-

I

A

A

V

V

A

A

F

F

L

L

S

S

Q

D

D

D

A

A

A

S

A

Y

I

V

T

N

G

A

T

T

G

V

I

V

K

P

L

I

S

D

L

G

G

G

T

Q

A

S

G

A

A

A

17:42 (vs. 5:30, 38% identical) binding
E103 (≠ G78) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
30% identity, 97% coverage: 4:218/222 of query aligns to 10:242/252 of 6vspB

query
sites
6vspB

V

V

I

V

V

I

T

T

G
|
G

G

A

L

G

G
x
N

G
|
G

L

M

G

G

R

E

A

A

V

A

T

R

L

F

K

S

S

A

R

E

G

G

H

A

R

I

V

V

A

L

V

A

D
|
D

I
x
W

A

A

S

-

G

-

Q

K

S

E

D

A

A

V

D

D

R

K

V

V

I

A

A

A

G

S

-

L

-

P

-

K

-

G

-

R

-

A

-

M

-

A

-

V

-

H

V
x
I

D
|
D

L
x
V

A

S

D

D

E

H

T

V

A

A

V

V

A

E

T

K

A

M

F

M

S

N

E

E

A

V

A

A

G

E

A

K

L

L

G

G

E

R

I

I

D

D

A

V

L

L

V

L

N

N

V

N

A

A

G
|
G

G

V

F

H

T

V

W

A

E

G

P

S

V

V

E

L

T

E

G

T

S

S

M

I

A

D

S

D

W

W

D

R

A

R

M

I

Y

A

R

G

I

V

N

D

L

I

R

D

T

G

A

V

I

F

S

C

S

S

R

K

A

F

V

A

L

L

P

P

H

H

L

L

-

L

-

K

K

T

S

K

G

G

A

C

I

I

V

V

N

N

V

T

G

A

A
x
S

A

V

A

S

S

G

A

L

A

G

P

G

G

D

M

W

G

G

M

A

A

A

P

Y

Y
|
Y

A

C

A

A

S

A

K

K

A

G

G

A

V

V

M

V

A

N

L

L

T

T

E

R

S

A

L

M

A

A

E

L

E

D

L

H

R

G

G

G

R

D

G

G

I

V

R

R

V

I

N

N

A

S

I

V

L

C

P

P

T

S

I

L

L

V

D

K

T

T

-

N

-

M

-

T

-

N

-

G

-

W

P

P

A

Q

N

E

R

I

K

R

D

D

M

K

P

F

D

N

-

E

-

R

-

I

-

A

-

L

-

G

-

R

-

A

A

A

D

E

P

P

A

-

G

-

W

-

V

-

S

-

L

-

E

E

S

E

A

V

A

A

V

V

V

M

A

A

F

F

L

L

L

A

S

S

Q

D

D

D

A

A

A

S

A

F

I

I

T

N

G

G

T

A

G

N

I

I

K

P

L

V

S

D

L

G

G

G

active site: G18 (= G12), S140 (≠ A124), Y153 (= Y137)
binding adenosine-5'-diphosphate: G14 (= G8), N17 (≠ G11), D38 (= D32), W39 (≠ I33), I61 (≠ V47), D62 (= D48), V63 (≠ L49), G91 (= G77)

6xewA Structure of serratia marcescens 2,3-butanediol dehydrogenase (see paper)
30% identity, 97% coverage: 4:218/222 of query aligns to 8:240/251 of 6xewA

query
sites
6xewA

V

V

I

V

V

I

T

T

G
|
G

G

A

L

G

G
x
N

G
|
G

L
x
M

G

G

R

E

A

A

V

A

T

R

L

F

K

S

S

A

R

E

G

G

H

A

R

I

V

V

A

L

V

A

D
|
D

I
x
W

A
|
A

S

-

G

-

Q

K

S

E

D

A

A

V

D

D

R

K

V

V

I

A

A

A

G

S

-

L

-

P

-

K

-

G

-

R

-

A

-

M

-

A

-

V

-

H

V
x
I

D
|
D

L
x
V

A

S

D

D

E

H

T

V

A

A

V

V

A

E

T

K

A

M

F

M

S

N

E

E

A

V

A

A

G

E

A

K

L

L

G

G

E

R

I

I

D

D

A

V

L

L

V

L

N

N

V
x
N

A
|
A

G
|
G

G

V

F

H

T

V

W

A

E

G

P

S

V

V

E

L

T

E

G

T

S

S

M

I

A

D

S

D

W

W

D

R

A

R

M

I

Y

A

R

G

I
x
V

N

D

L

I

R

D

T

G

A

V

I

F

S

C

S

S

R

K

A

F

V

A

L

L

P

P

H

H

L

L

-

L

-

K

K

T

S

K

G

G

A

C

I

I

V

V

N

N

V
x
T

G

A

A
x
S

A

V

A
x
S

S

G

A

L

A

G

P

G

G

D

M

W

G

G

M

A

A

A

P

Y

Y
|
Y

A

C

A

A

S

A

K
|
K

A

G

G

A

V

V

M

V

A

N

L

L

T

T

E

R

S

A

L

M

A

A

E

L

E

D

L

H

R

G

G

G

R

D

G

G

I

V

R

R

V

I

N

N

A

S

I

V

L

C

P

P

T
x
S

I
x
L

L
x
V

D

K

T
|
T

-
x
N

-
x
M

-
x
T

-

N

-

G

-

W

P

P

A

Q

N

E

R

I

K

R

D

D

M

K

P

F

D

N

-

E

-

R

-

I

-

A

-

L

-

G

-

R

-

A

A

A

D

E

P

P

A

-

G

-

W

-

V

-

S

-

L

-

E

E

S

E

A

V

A

A

V

V

V

M

A

A

F

F

L

L

L

A

S

S

Q

D

D

D

A

A

A

S

A

F

I

I

T

N

G

G

T

A

G

N

I

I

K

P

L

V

S

D

L

G

G

G

active site: G16 (= G12), S138 (≠ A124), Y151 (= Y137)
binding r,3-hydroxybutan-2-one: S138 (≠ A124), S140 (≠ A126), Y151 (= Y137)
binding s,3-hydroxybutan-2-one: S138 (≠ A124), Y151 (= Y137), S182 (≠ T168)
binding nicotinamide-adenine-dinucleotide: G12 (= G8), N15 (≠ G11), G16 (= G12), M17 (≠ L13), D36 (= D32), W37 (≠ I33), W37 (≠ I33), A38 (= A34), I59 (≠ V47), D60 (= D48), V61 (≠ L49), N87 (≠ V75), A88 (= A76), G89 (= G77), V110 (≠ I98), T136 (≠ V122), S138 (≠ A124), Y151 (= Y137), K155 (= K141), S182 (≠ T168), L183 (≠ I169), V184 (≠ L170), T186 (= T172), N187 (vs. gap), M188 (vs. gap), T189 (vs. gap)

6vspA Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
30% identity, 97% coverage: 4:218/222 of query aligns to 8:240/251 of 6vspA

query
sites
6vspA

V

V

I

V

V

I

T

T

G
|
G

G

A

L

G

G
x
N

G
|
G

L
x
M

G

G

R

E

A

A

V

A

T

R

L

F

K

S

S

A

R

E

G

G

H

A

R

I

V

V

A

L

V

A

D
|
D

I
x
W

A
|
A

S

-

G

-

Q

K

S

E

D

A

A

V

D

D

R

K

V

V

I

A

A

A

G

S

-

L

-

P

-

K

-

G

-

R

-

A

-

M

-

A

-

V

-

H

V
x
I

D
|
D

L
x
V

A

S

D

D

E

H

T

V

A

A

V

V

A

E

T

K

A

M

F

M

S

N

E

E

A

V

A

A

G

E

A

K

L

L

G

G

E

R

I

I

D

D

A

V

L

L

V

L

N

N

V
x
N

A
|
A

G
|
G

G
x
V

F

H

T

V

W

A

E

G

P

S

V

V

E

L

T

E

G

T

S

S

M

I

A

D

S

D

W

W

D

R

A

R

M

I

Y

A

R

G

I
x
V

N

D

L

I

R

D

T

G

A

V

I

F

S

C

S

S

R

K

A

F

V

A

L

L

P

P

H

H

L

L

-

L

-

K

K

T

S

K

G

G

A

C

I

I

V

V

N

N

V
x
T

G

A

A
x
S

A

V

A

S

S

G

A

L

A

G

P

G

G

D

M

W

G

G

M

A

A

A

P

Y

Y
|
Y

A

C

A

A

S

A

K
|
K

A

G

G

A

V

V

M

V

A

N

L

L

T

T

E

R

S

A

L

M

A

A

E

L

E

D

L

H

R

G

G

G

R

D

G

G

I

V

R

R

V

I

N

N

A

S

I

V

L

C

P
|
P

T
x
S

I
x
L

L
x
V

D

K

T
|
T

-
x
N

-
x
M

-
x
T

-

N

-

G

-

W

P

P

A

Q

N

E

R

I

K

R

D

D

M

K

P

F

D

N

-

E

-

R

-

I

-

A

-

L

-

G

-

R

-

A

A

A

D

E

P

P

A

-

G

-

W

-

V

-

S

-

L

-

E

E

S

E

A

V

A

A

V

V

V

M

A

A

F

F

L

L

L

A

S

S

Q

D

D

D

A

A

A

S

A

F

I

I

T

N

G

G

T

A

G

N

I

I

K

P

L

V

S

D

L

G

G

G

active site: G16 (= G12), S138 (≠ A124), Y151 (= Y137)
binding nicotinamide-adenine-dinucleotide: G12 (= G8), N15 (≠ G11), G16 (= G12), M17 (≠ L13), D36 (= D32), W37 (≠ I33), W37 (≠ I33), A38 (= A34), I59 (≠ V47), D60 (= D48), V61 (≠ L49), N87 (≠ V75), A88 (= A76), G89 (= G77), V90 (≠ G78), V110 (≠ I98), T136 (≠ V122), S138 (≠ A124), Y151 (= Y137), K155 (= K141), P181 (= P167), S182 (≠ T168), L183 (≠ I169), V184 (≠ L170), T186 (= T172), N187 (vs. gap), M188 (vs. gap), T189 (vs. gap)

H9XP47 Meso-2,3-butanediol dehydrogenase; BDH; meso-2,3-BDH; (R,S)-butane-2,3-diol dehydrogenase; NAD(H)-dependent meso-2,3-BDH; SmBdh; EC 1.1.1.- from Serratia marcescens (see paper)
30% identity, 97% coverage: 4:218/222 of query aligns to 8:240/251 of H9XP47

query
sites
H9XP47

V

V

I

V

V

I

T

T

G

G

G

A

L

G

G
x
N

G

G

L
x
M

G

G

R

E

A

A

V

A

T

R

L

F

K

S

S

A

R

E

G

G

H

A

R

I

V

V

A

L

V

A

D
|
D

I

W

A

A

S

-

G

-

Q

K

S

E

D

A

A

V

D

D

R

K

V

V

I

A

A

A

G

S

-

L

-

P

-

K

-

G

-

R

-

A

-

M

-

A

-

V

-

H

V

I

D
|
D

L
x
V

A

S

D

D

E

H

T

V

A

A

V

V

A

E

T

K

A

M

F

M

S

N

E

E

A

V

A

A

G

E

A

K

L

L

G

G

E

R

I

I

D

D

A

V

L

L

V

L

N

N

V
x
N

A

A

G

G

G

V

F

H

T

V

W

A

E

G

P

S

V

V

E

L

T

E

G

T

S

S

M

I

A

D

S

D

W

W

D

R

A

R

M

I

Y

A

R

G

I

V

N

D

L

I

R

D

T

G

A

V

I

F

S

C

S

S

R

K

A

F

V

A

L

L

P

P

H

H

L

L

-

L

-

K

K

T

S

K

G

G

A

C

I

I

V

V

N

N

V

T

G

A

A
x
S

A
x
V

A
x
S

S

G

A

L

A

G

P

G

G

D

M

W

G

G

M

A

A

A

P

Y

Y
|
Y

A

C

A

A

S

A

K
|
K

A

G

G

A

V

V

M

V

A

N

L

L

T

T

E

R

S

A

L

M

A

A

E

L

E

D

L

H

R

G

G

G

R

D

G

G

I

V

R

R

V

I

N

N

A

S

I

V

L

C

P

P

T

S

I

L

L
x
V

D

K

T
|
T

-

N

-

M

-

T

-

N

-

G

-

W

P

P

A

Q

N

E

R

I

K
x
R

D
|
D

M
x
K

P

F

D

N

-

E

-

R

-

I

-

A

-

L

-

G

-

R

-

A

A

A

D

E

P

P

A

-

G

-

W

-

V

-

S

-

L

-

E

E

S

E

A

V

A

A

V

V

V

M

A

A

F

F

L

L

L

A

S

S

Q

D

D

D

A

A

A

S

A

F

I

I

T

N

G

G

T

A

G

N

I

I

K

P

L

V

S

D

L

G

G

G

N15 (≠ G11) binding
M17 (≠ L13) binding
D36 (= D32) binding
D60 (= D48) binding
V61 (≠ L49) binding
N87 (≠ V75) binding
S138 (≠ A124) binding ; binding
V139 (≠ A125) mutation to Q: Retains 50% of activity with acetoin as substrate; when associated with A-247.
S140 (≠ A126) binding
Y151 (= Y137) binding ; binding ; binding
K155 (= K141) binding
V184 (≠ L170) binding
T186 (= T172) binding
RDK 197:199 (≠ KDM 177:179) mutation to SEAAGKPLGYGTET: Mimics longer alpha6 helix. Retains 3% of activity with acetoin as substrate.

Sites not aligning to the query:

247 Q→A: Retains 10% of activity with acetoin as substrate. Retains 50% of activity with acetoin as substrate; when associated with Q-139.

5u2wA Crystal structure of a short chain dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP
34% identity, 96% coverage: 5:218/222 of query aligns to 10:243/246 of 5u2wA

query
sites
5u2wA

I

L

V

V

T

T

G
|
G

G

G

L
x
S

G
x
R

G
|
G

L
x
I

G

G

R

A

A

A

V

I

V

A

T

K

T

R

L

L

K

A

S

A

R

D

G

G

H

A

R

D

V

V

V

-

A

A

V

I

D

T

I
x
Y

A
x
E

S
x
K

G
x
S

Q

A

S

E

D

R

A

A

D

Q

R

A

V

V

I

V

A

A

G

G

V

I

-

E

-

A

-

L

-

G

-

R

-

A

-

I

-

A

-

I

-

Q

-
x
A

D
|
D

L
x
S

A

A

D

D

E

P

T

V

A

A

V

V

A

R

T

N

A

A

F

V

S

D

E

R

A

V

A

A

G

E

A

A

L

F

G

G

E

G

I

L

D

D

A

I

L

L

V

V

N

N

V
x
N

A
|
A

G
|
G

G

I

F

F

T

R

W

A

E

G

P

S

V

L

E

D

T

D

G

L

S

T

M

L

A

D

S

D

W

I

D

D

A

A

M

T

Y

L

R

N

I

V

N

N

L

V

R

R

T

A

A

V

A

I

I

V

S

A

S

S

R

Q

A

A

V

A

L

A

P

R

H

H

L

L

-

G

K

E

S

G

G

G

A

R

I

I

V

V

N

S

V
x
T

G

G

A
x
S

A

C

-

L

A

A

S

T

A

R

A

V

P

P

G

D

M

A

G

G

M
|
M

A

S

P

L

Y
|
Y

A

A

S

S

K
|
K

A

A

G

A

V

L

M

I

A

G

L

W

T

T

E

Q

S

G

L

L

A

A

E

R

E

D

L

L

R

G

G

P

R

R

G

G

I

I

R

T

V

V

N

N

A

I

I

V

L

H

P
|
P

T
x
G

I

S

L
x
T

D

D

T
|
T

P

D

A
x
M

N
|
N

R

P

K

A

D

D

M

G

P

A

D

H

A

A

D

D

P

A

-

Q

-

R

-

S

-

R

-

M

-

A

-

I

A

Q

G

Q

W

Y

V

G

S

K

L

A

E

D

S

D

A

V

A

A

V

L

V

V

A

A

F

F

L

V

S

G

Q

P

D

E

A

G

A

R

A

S

I

I

T

N

G

G

T

T

G

G

I

L

K

T

L

I

S

D

L

G

G

G

active site: G17 (= G12), S141 (≠ A124), M152 (= M134), Y155 (= Y137), K159 (= K141)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G8), S15 (≠ L10), R16 (≠ G11), G17 (= G12), I18 (≠ L13), Y37 (≠ I33), E38 (≠ A34), K39 (≠ S35), S40 (≠ G36), A63 (vs. gap), D64 (= D48), S65 (≠ L49), N91 (≠ V75), A92 (= A76), G93 (= G77), T139 (≠ V122), Y155 (= Y137), K159 (= K141), P185 (= P167), G186 (≠ T168), T188 (≠ L170), T190 (= T172), M192 (≠ A174), N193 (= N175)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
32% identity, 96% coverage: 5:218/222 of query aligns to 5:236/239 of 3sj7A

query
sites
3sj7A

I

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

R

R

A

S

V

I

V

A

T

L

T

Q

L

L

K

A

S

E

R

E

G

G

H

Y

R

N

V

V

V

-

A

A

V

V

D
x
N

I
x
Y

A
|
A

S
x
G

G
x
S

Q

K

S

E

D

K

A

A

D

E

R

A

V

V

I

V

-

E

-

I

-

K

-

A

A

K

G

G

V

V

D

D

-

S

-

F

-

A

-

I

-

Q

-
x
A

-
x
N

L
x
V

A

A

D

D

E

A

T

D

A

E

V

V

A

K

T

A

A

M

F

I

S

K

E

E

A

V

G

S

A

Q

L

F

G

G

E

S

I

L

D

D

A

V

L

L

V

V

N

N

V
x
N

A
|
A

G

G

G

I

F

T

T

R

W

D

E

N

P

L

V

L

E

M

T

R

G

M

S

K

M

E

A

Q

S

E

W

W

D

D

A

D

M

V

Y

I

R

D

I
x
T

N

N

L

L

R

K

T

G

A

V

A

F

I

N

S

C

S

I

R

Q

A

K

V

A

L

T

P

P

H

Q

L

M

-

L

-

R

-

Q

K

R

S

S

G

G

A

A

I

I

V

I

N

N

V

L

G

S

A
x
S

A

V

S

G

A

A

A

V

P

G

G

N

M

P

G

G

M
x
Q

A

A

P

N

Y
|
Y

A

V

A

A

S

T

K
|
K

A

A

G

G

V

V

M

I

A

G

L

L

T

T

E

K

S

S

L

A

A

A

E

R

E

E

L

L

R

A

G

S

R

R

G

G

I

I

R

T

V

V

N

N

A

A

I

V

L

A

P
|
P

T
x
G

I

F

L

I

-

V

-

S

-

D

D

M

T

T

P

D

A

E

N

L

R

K

K

E

D

Q

M

M

P

L

D

T

A

Q

D

I

P

P

A

L

G

A

W

R

V

F

S

G

L

Q

E

D

S

T

-

D

A

I

A

A

A

N

V

T

V

V

A

A

F

F

L

L

L

A

S

S

Q

D

D

K

A

A

A

K

A

Y

I

I

T

T

G

G

T

Q

G

T

I

I

K

H

L

V

S

N

L

G

G

G

active site: G12 (= G12), S138 (≠ A124), Q148 (≠ M134), Y151 (= Y137), K155 (= K141)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), S10 (≠ L10), R11 (≠ G11), I13 (≠ L13), N31 (≠ D32), Y32 (≠ I33), A33 (= A34), G34 (≠ S35), S35 (≠ G36), A58 (vs. gap), N59 (vs. gap), V60 (≠ L49), N86 (≠ V75), A87 (= A76), T109 (≠ I98), S138 (≠ A124), Y151 (= Y137), K155 (= K141), P181 (= P167), G182 (≠ T168)

4cqlI Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD (see paper)
32% identity, 96% coverage: 5:218/222 of query aligns to 12:248/251 of 4cqlI

query
sites
4cqlI

I

L

V

V

T

T

G

G

G

A

L

G

G
x
S

G
|
G

L
x
I

G

G

R

R

A

A

V

V

V

S

T

V

T

R

L

L

K

A

S

G

R

E

G

G

H

A

R

T

V

V

V

A

A

A

V

C

D
|
D

I
x
L

A

D

S

R

G

A

Q

A

S

A

D

Q

A

E

D

T

R

V

V

R

I

L

A

L

G

G

V

G

D

P

L

G

A

S

D

N

E

H

T

A

A

A

V

F

A

Q

T
x
A

A
x
D

F
x
V

S

S

E

E

A

A

A

R

G

A

A

A

-

R

-

C

-

L

L

L

G

E

E

Q

I

V

D

Q

A

A

-

C

-

F

-

S

-

R

-

P

-

S

-

V

L

V

V

V

N

S

V
x
C

A
|
A

G
|
G

G
x
I

F

T

T

Q

W

D

E

E

P

F

V

L

E

L

T

H

G

M

S

S

M

E

A

D

S

D

W

W

D

D

A

K

M

V

Y

I

R

A

I
x
V

N

N

L

L

R

K

T

G

A

T

A

F

I

L

S

V

S

T

R

Q

A

A

V

A

L

A

P

Q

H

A

L

L

K

V

S

S

-

N

-

G

-

C

-

R

G

G

A

S

I

I

V

I

N

N

V
x
I

G

S

A
x
S

A

I

A

V

S

G

A

K

A

V

P

G

G

N

M

V

G

G

M

Q

A

T

P

N

Y
|
Y

A

A

S

S

K
|
K

A

A

G

G

V

V

M

I

A

G

L

L

T

T

E

Q

S

T

L

A

A

A

E

R

E

E

L

L

R

G

G

R

R

H

G

G

I

I

R

R

V

C

N

N

A

S

I

V

L

L

P
|
P

T
x
G

I

F

L
x
I

D

A

T
|
T

P

P

A
x
M

N

T

R

Q

K

K

-

V

-

P

-

Q

-

K

-

V

-

D

D

K

M

I

P

T

D

E

A

M

D

I

P

P

A

M

G

G

W

H

V

L

-

G

S

D

L

P

E

E

S

D

A

V

A

A

A

D

V

V

A

A

F

F

L

L

L

A

S

S

Q

E

D

D

A

S

A

G

A

Y

I

I

T

T

G

G

T

T

G

S

I

V

K

E

L

V

S

T

L

G

G

G

active site: G19 (= G12), S146 (≠ A124), Y159 (= Y137), K163 (= K141)
binding nicotinamide-adenine-dinucleotide: S18 (≠ G11), G19 (= G12), I20 (≠ L13), D39 (= D32), L40 (≠ I33), A64 (≠ T57), D65 (≠ A58), V66 (≠ F59), C93 (≠ V75), A94 (= A76), G95 (= G77), I96 (≠ G78), V116 (≠ I98), I144 (≠ V122), S146 (≠ A124), Y159 (= Y137), K163 (= K141), P189 (= P167), G190 (≠ T168), I192 (≠ L170), T194 (= T172), M196 (≠ A174)

Query Sequence

>Ga0059261_2819 FitnessBrowser__Korea:Ga0059261_2819
MGHVIVTGGLGGLGRAVVTTLKSRGHRVVAVDIASGQSDADRVIAGVDLADETAVATAFS
EAAGALGEIDALVNVAGGFTWEPVETGSMASWDAMYRINLRTAAISSRAVLPHLKSGAIV
NVGAAASAAPGMGMAPYAASKAGVMALTESLAEELRGRGIRVNAILPTILDTPANRKDMP
DADPAGWVSLESAAAVVAFLLSQDAAAITGTGIKLSLGTAGA

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