SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BPHYT_RS16920 BPHYT_RS16920 3-oxoacyl-ACP reductase 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)

5wjsA Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from burkholderia thailandensis complexed with nadh
74% identity, 95% coverage: 13:266/266 of query aligns to 5:258/258 of 5wjsA

query
sites
5wjsA

D

D

S

E

A

R

F

Y

A

A

R

R

Y

Y

P

P

S

S

L

L

V

A

D

G

R

R

T

A

V

V

L

L

I

I

T

T

G
|
G

G

G

A
|
A

T
|
T

G
|
G

I
|
I

G

G

A

A

S

S

F

F

V

V

E

E

H

H

F

F

A

A

A

R

Q

Q

G

G

A

A

R

R

V

V

A

A

F

F

F

V

D
|
D

I
x
L

D

D

A

E

S

Q

A

A

G

A

E

R

A

A

L

L

A

A

D

A

E

R

L

L

G

A

D

D

S

A

K

A

H

H

K

E

P

P

L

V

F

F

L

V

S

A

C
|
C

D
|
D

L
|
L

T
|
T

D

D

I

I

D

A

A

A

L

L

Q

R

K

G

A

A

I

I

A

E

D

A

V

I

K

R

A

A

A

R

L

I

G

G

P

P

I

I

Q

A

V

A

L

L

V

V

N

N

N
|
N

A
|
A

N

N

D

D

K

V

R

R

H

H

T

A

I

I

G

A

E

D

V

V

T

T

R

P

E

D

S

S

F

F

D

D

A

A

G

C

I

I

A

A

V
|
V

N

N

I

L

R

R

H

H

Q

Q

F

F

A

A

Q

Q

A

A

V

V

M

I

E

D

D

D

M

M

K

K

A

R

A

L

N

G

S

G

G

G

S

S

I

I

I

V

N

N

L
|
L

G
|
G

S
|
S

I

I

S

S

W

W

M

M

L

L

K

K

N

N

G

A

G

G

Y
|
Y

P

P

V

V

Y
|
Y

V

A

M

S

S

A

K
|
K

S

A

A

A

V

V

Q

Q

G

G

L

L

T

T

R

R

G

A

L

L

A

A

R

R

D

E

L

L

G

G

H

P

F

F

N

G

I

I

R

R

V

V

N

N

T

T

L

L

V

V

P
|
P

G
|
G

W
|
W

V
|
V

M

M

T
|
T

E

D

K
|
K

Q
|
Q

K

R

R

R

L

L

W

W

L

L

D

D

A

A

G

G

R

R

R

A

S

A

I

I

K

K

E

A

G

G

Q

Q

C

C

I

I

D

D

A

A

E

E

L

L

E

L

P

P

A

G

D

D

L

L

A

A

R

R

M

M

A

A

L

L

F

F

L

L

A

A

D

D

S

S

R

R

M

M

I

I

T

T

A

A

Q

Q

D

D

I

V

V

V

D

D

G

G

W

W

A

A

active site: G27 (= G35), S152 (= S160), Y162 (= Y170), Y165 (= Y173), K169 (= K177)
binding 1,4-dihydronicotinamide adenine dinucleotide: G23 (= G31), A25 (= A33), T26 (= T34), G27 (= G35), I28 (= I36), D47 (= D55), L48 (≠ I56), C72 (= C80), D73 (= D81), L74 (= L82), T75 (= T83), N100 (= N108), A101 (= A109), A102 (= A110), V123 (= V131), L150 (= L158), G151 (= G159), S152 (= S160), Y165 (= Y173), K169 (= K177), P195 (= P203), G196 (= G204), W197 (= W205), V198 (= V206), T200 (= T208), K202 (= K210), Q203 (= Q211)

7wwxA Crystal structure of herbaspirillum huttiense l-arabinose 1- dehydrogenase (NAD bound form) (see paper)
57% identity, 94% coverage: 16:265/266 of query aligns to 3:253/254 of 7wwxA

query
sites
7wwxA

F

L

A

A

R

N

Y

F

P

P

S

S

L

L

V

K

D

G

R

K

T

R

V

V

L

F

I

I

T

T

G
|
G

G

G

A

G

T
|
T

G
|
G

I
|
I

G

G

A

A

S

A

F

I

V

V

E

E

H

A

F

F

A

A

A

Q

Q

Q

G

G

A

A

R

H

V

V

A

A

F

F

F

V

D
|
D

I
|
I

D

A

A

T

S

E

A

A

G

S

E

E

A

A

L

L

A

C

D

N

E

D

L

I

G

A

D

A

S

A

K

G

H

H

-

P

K

K

P

P

L

L

F

F

L

R

S

H

C
|
C

D
|
D

L
|
L

T

R

D

D

I

I

D

P

A

A

L

F

Q

Q

K

A

A

T

I

I

A

A

D

E

V

L

K

Q

A

G

A

Q

L

L

G

G

P

D

I

F

Q

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

N

N

D

D

K

Q

R

R

H

H

T

K

I

L

G

E

E

E

V

V

T

T

R

L

E

E

S

Y

F

W

D

N

A

D

G

R

I

I

A

A

V

I

N

N

I

Q

R

R

H

P

Q

S

F

F

A

A

A

V

Q

Q

A

S

V

V

M

V

E

E

D

G

M

M

K

K

A

R

N

G

S

G

G

G

S

S

I

I

N

N

L
x
F

G
x
S

S
|
S

I

I

S

S

W

W

M

H

L

Q

K

S

N

G

G

G

Y

F

P

P

V

V

Y
|
Y

V

T

M

T

S

A

K
|
K

S

A

A

S

V

T

Q

L

G

G

L

L

T

T

R

R

G

G

L

L

A

A

R

R

D

D

L

L

G

G

H

P

F

H

N

K

I

I

R

R

V

V

N

N

T

T

L

V

V

T

P
|
P

G
|
G

W
|
W

V
|
V

M

M

T
|
T

E

E

K
x
R

Q
|
Q

K

I

R

K

L

L

W

W

L

L

D

D

D

E

A

E

G

G

R

K

S

A

I

I

K

A

E

R

G

N

Q

Q

C

C

I

L

D

Q

A

G

E

D

L

L

E

L

P

P

A

W

D

H

L

L

A

A

R

R

M

M

A

V

L

L

F

F

L

L

A

A

D

D

S

S

R

A

M

M

I

C

T

T

A

A

Q

Q

D

E

I

F

V

I

V

V

D

D

G

A

G

G

W

W

binding nicotinamide-adenine-dinucleotide: G18 (= G31), T21 (= T34), G22 (= G35), I23 (= I36), D42 (= D55), I43 (= I56), C68 (= C80), D69 (= D81), L70 (= L82), N96 (= N108), A97 (= A109), A98 (= A110), F146 (≠ L158), S147 (≠ G159), S148 (= S160), Y161 (= Y173), K165 (= K177), P191 (= P203), G192 (= G204), W193 (= W205), V194 (= V206), T196 (= T208), R198 (≠ K210), Q199 (= Q211)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
34% identity, 92% coverage: 21:265/266 of query aligns to 4:252/255 of 5itvA

query
sites
5itvA

S

N

L

L

V

T

D

D

R

K

T

T

V

V

L

L

I

I

T

T

G
|
G

G

G

A
|
A

T
x
S

G
|
G

I
|
I

G

G

A

Y

S

A

F

A

V

V

E

Q

H

A

F

F

A

L

A

G

Q

Q

G

Q

A

A

R

N

V

V

A

V

F

V

F

A

D
|
D

I
|
I

D

D

A

E

S

A

A

Q

G

G

E

E

A

A

L

M

A

V

-

R

D

K

E

E

L

N

G

N

D

D

S

R

K

L

H

H

K

-

P

-

L

-

F

F

L

V

S

Q

C
x
T

D
|
D

L
x
I

T

T

D

D

I

E

D

A

A

A

L

C

Q

Q

K

H

A

A

I

V

A

E

D

S

V

A

K

V

A

H

A

T

L

F

G

G

P

G

I

L

Q

D

V

V

L

L

V

I

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

E

K

I

R

V

H

A

T

P

I

I

G

H

E

E

V

M

T

E

R

L

E

S

S

D

F

W

D

N

A

K

G

V

I

L

A

Q

V
|
V

N

N

I

L

R

T

H

G

Q

M

F

F

F

L

A

M

A

S

Q

K

A

H

V

A

M

L

E

K

D

H

M

M

K

L

A

A

N

G

S

K

G

G

S

N

I

I

N

N

L
x
T

G
x
C

S
|
S

I

V

S

G

W

G

M

L

L

V

K

A

N

W

G

P

G

D

Y

I

P

P

V

A

Y
|
Y

V

N

M

A

S

S

K
|
K

S

G

A

G

V

V

Q

L

G

Q

L

L

T

T

R

K

G

S

L

M

A

A

R

V

D

D

L

Y

G

A

H

K

F

H

N

Q

I

I

R

R

V

V

N

N

T

C

L

V

V

C

P
|
P

G
|
G

W
x
I

V
x
I

M

D

T
|
T

E

P

K
x
L

Q
x
N

K

E

R

K

L

S

W

F

L

L

D

E

D

N

A

-

G

N

R

E

R

G

S

T

I

L

K

E

E

E

G

I

Q

K

C

K

I

E

D

K

A

A

E

K

L

V

-

N

-

P

-

L

-

R

-

L

-

G

E

K

P

P

A

E

D

E

L

I

A

A

R

N

M

V

A

M

L

L

F

F

L

L

A

A

A

S

D

D

D

L

S

S

R

S

M

Y

I

M

T

T

A

G

Q

S

D

A

I

I

V

T

V

A

D

D

G

G

W

Y

active site: G18 (= G35), S141 (= S160), Y154 (= Y173), K158 (= K177)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G31), A16 (= A33), S17 (≠ T34), G18 (= G35), I19 (= I36), D38 (= D55), I39 (= I56), T61 (≠ C80), D62 (= D81), I63 (≠ L82), N89 (= N108), A90 (= A109), G91 (≠ A110), I92 (≠ N111), V112 (= V131), T139 (≠ L158), C140 (≠ G159), S141 (= S160), Y154 (= Y173), K158 (= K177), P184 (= P203), G185 (= G204), I186 (≠ W205), I187 (≠ V206), T189 (= T208), L191 (≠ K210), N192 (≠ Q211)

8cxaA Crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from mycobacterium smegmatis with bound NAD
31% identity, 91% coverage: 22:264/266 of query aligns to 3:247/251 of 8cxaA

query
sites
8cxaA

L

L

V

A

D

N

R

R

T

V

V

A

L

I

I

I

T

T

G
|
G

G

A

A
|
A

T
x
Q

G
|
G

I
|
I

G

G

A

R

S

I

F

Y

V

A

E

E

H

R

F

F

A

A

A

E

Q

E

G

G

A

A

R

A

V

V

A

V

F

V

F

A

D
|
D

I
|
I

D

N

A

E

S

P

A

K

G

A

E

T

A

E

L

V

A

A

D

S

E

S

L

I

G

T

D

S

S

L

K

G

H

G

K

R

P

A

L

I

F

A

L

A

S

A

C
x
V

D
|
D

L
x
V

T

S

D

D

I

V

D

E

A

S

L

V

Q

N

K

R

A

M

I

V

A

D

D

S

V

A

K

V

A

E

A

A

L

F

G

G

P

T

I

V

Q

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

-
x
I

-
x
F

-
x
S

N

T

D

L

K

K

R

M

H

K

T

P

I

F

G

E

E

E

V

I

T

S

R

G

E

D

S

E

F

W

D

D

A

K

G

L

I

F

A

A

V
|
V

N

N

I

A

R

K

H

G

Q

T

F

F

F

L

A

C

Q

Q

A

A

V

V

M

S

E

P

D

V

M

M

K

R

A

K

A

N

N

Q

S

Y

G

G

S

R

I

I

N

N

L
x
I

G
x
S

S
|
S

I

S

S

V

W

V

M

V

L

T

K

G

N

R

G

P

G

N

Y

Y

P

A

V

H

Y
|
Y

V

I

M

A

S

S

K
|
K

S

G

A

A

V

V

Q

W

G

A

L

L

T

T

R

H

G

A

L

L

A

A

R

T

D

E

L

M

G

G

H

T

F

D

N

G

I

I

R

T

V

V

N

N

T

T

L

V

V

S

P
|
P

G
x
H

W
x
G

V
x
I

M

I

T

T

E

E

K
x
I

Q

P

K

R

R

E

L

T

W

I

L

S

D

E

A

G

G

W

R

R

S

N

I

L

K

E

E

E

G

-

Q

Q

C

A

I

L

D

K

A

R

E

K

L

G

E

D

P

A

A

S

D

D

L

L

A

V

R

G

M

I

A

L

L

L

F

Y

L

L

A

A

A

S

D

D

D

E

S

S

R

K

M

F

I

M

T

T

A

G

Q

Q

D

T

I

V

V

A

V

L

D

D

G

A

G

G

binding nicotinamide-adenine-dinucleotide: G12 (= G31), A14 (= A33), Q15 (≠ T34), G16 (= G35), I17 (= I36), D36 (= D55), I37 (= I56), V61 (≠ C80), D62 (= D81), V63 (≠ L82), N89 (= N108), A90 (= A109), A91 (= A110), I92 (vs. gap), F93 (vs. gap), S94 (vs. gap), V115 (= V131), I142 (≠ L158), S143 (≠ G159), S144 (= S160), Y157 (= Y173), K161 (= K177), P187 (= P203), H188 (≠ G204), G189 (≠ W205), I190 (≠ V206), I194 (≠ K210)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
35% identity, 92% coverage: 21:266/266 of query aligns to 2:246/247 of 6j7uA

query
sites
6j7uA

S

N

L

L

V

N

D

G

R

K

T

V

V

A

L

F

I

V

T

T

G
|
G

G

G

A
x
S

T
x
R

G
|
G

I
|
I

G

G

A

A

S

A

F

I

V

V

E

R

H

R

F

L

A

A

Q

D

G

G

A

A

R

D

V

I

A

A

F

F

F

T

D
x
Y

I
x
V

D
x
S

A

A

S

S

A
x
S

-

K

-

N

-

V

G

A

E

T

A

A

L

L

A

V

D

Q

E

E

L

L

G

E

D

A

S

K

K

G

H

R

K

R

P

A

L

R

F

A

L

I

S

Q

C
x
A

D
|
D

L
x
S

T

A

D

D

I

P

D

A

A

Q

L

V

Q

R

K

Q

A

A

I

V

A

E

D

Q

V

A

K

I

A

V

A

Q

L

L

G

G

P

P

I

V

Q

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

I

D

F

K

L

R

A

H

G

T

P

I

L

G

G

E

E

V

V

T

T

R

L

E

D

S

D

F

Y

D

E

A

R

G

T

I

M

A

N

V
x
I

N

N

I

V

R

R

H

A

Q

P

F

F

F

V

A

A

A

I

Q

Q

A

A

V

A

M

Q

E

A

D

S

M

M

K

P

A

-

N

D

S

G

G

G

S

R

I

I

N

N

L
x
I

G
|
G

S
|
S

-

C

I

L

S

A

W

E

M

R

L

A

K

G

N

R

G

A

G

G

Y

V

P

T

V

L

Y
|
Y

V

A

M

A

S

S

K
|
K

S

S

A

A

V

L

Q

L

G

G

L

M

T

T

R

R

G

G

L

L

A

A

R

R

D

D

L

L

G

G

H

A

F

R

N

G

I

I

R

T

V

A

N

N

T

V

L

V

V

H

P
|
P

G
|
G

W
x
P

V
x
I

M

D

T
|
T

E
x
D

K
x
M

Q
x
N

K

P

R

A

L

-

W

-

L

-

D

-

A

D

G

G

R

E

R

R

S

S

I

-

K

-

E

-

G

G

Q

E

C

L

I

V

D

A

A

V

E

L

L

S

E

L

P

P

-

H

-

Y

-

G

-

E

-

V

A

R

D

D

L

I

A

A

R

G

M

M

A

V

L

A

F

F

L

L

A

A

A

G

D

P

D

D

S

G

R

R

M

Y

I

V

T

T

A

G

Q

A

D

S

I

L

V

A

V

V

D

D

G

G

W

F

A

A

active site: G16 (= G35), S142 (= S160), Y156 (= Y173)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G31), S14 (≠ A33), R15 (≠ T34), G16 (= G35), I17 (= I36), Y36 (≠ D55), V37 (≠ I56), S38 (≠ D57), S41 (≠ A60), A64 (≠ C80), D65 (= D81), S66 (≠ L82), N92 (= N108), A93 (= A109), G94 (≠ A110), I115 (≠ V131), I140 (≠ L158), G141 (= G159), S142 (= S160), Y156 (= Y173), K160 (= K177), P186 (= P203), G187 (= G204), P188 (≠ W205), I189 (≠ V206), T191 (= T208), D192 (≠ E209), M193 (≠ K210), N194 (≠ Q211)

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
35% identity, 91% coverage: 24:264/266 of query aligns to 4:241/247 of 7pcsB

query
sites
7pcsB

D

N

R

R

T

V

V

A

L

L

I

I

T

T

G
|
G

G

S

A

A

T
x
S

G

G

I
x
M

G

G

A

K

S

Q

F

T

V

A

E

L

H

R

F

F

A

A

A

E

Q

Q

G

G

A

A

R

A

V

V

A

V

F

I

F

N

D
|
D

I
|
I

D

D

A

A

S

E

A

K

G

V

E

R

A

A

L

T

A

V

D

D

E

E

L

F

G

S

D

A

S

R

K

G

H

H

K

R

P

V

L

L

F

G

L

A

S

V

C
x
A

D
|
D

L
x
I

T

G

D

N

I

K

D

A

A

A

L

V

Q

D

K

G

A

M

I

V

A

K

D

Q

V

T

K

I

A

D

A

A

L

F

G

G

P

R

I

I

Q

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

M

D

E

K

R

R

A

H

G

T

A

I

L

G

R

E

K

V

L

T

S

R

E

E

A

S

D

F

W

D

D

A

V

G

T

I

I

A

N

V
|
V

N
|
N

I

L

R

K

H

G

Q

T

F

F

F

L

A

C

A

T

Q

Q

A

A

V

V

M

H

E

G

D

H

M

M

K

V

A

E

A

N

N

K

S

H

G

G

S

R

I

I

I

V

N

N

L
x
I

G
x
A

S
|
S

I

R

S

A

W

W

M

L

L

G

K

G

N

A

G

G

G

Q

Y

T

P

P

V

-

Y
|
Y

V

S

M

S

S

A

K
|
K

S

A

A

G

V

V

Q

V

G

G

L

M

T

T

R

R

G

A

L

L

A

A

R

I

D

E

L

L

G

G

H

R

F

A

N

G

I

I

R

T

V

V

N

N

T

C

L

V

V

A

P
|
P

G
|
G

W

L

V
x
I

M

H

T

T

E

P

K

-

Q

-

K

-

R

-

L
x
M

W

W

-

D

-

E

L

L

D

P

D

E

A

K

G

D

R

Q

S

F

I

L

K

L

E

S

G

R

Q

Q

C

P

I

T

D

G

A

K

E

L

L

G

E

E

P

P

A

D

D

D

L

I

A

A

R

N

M

T

A

L

L

L

F

F

L

L

A

A

A

D

D

D

S

S

R

G

M

F

I

V

T

T

A

G

Q

Q

D

V

I

L

V

Y

V

V

D

C

G

G

binding nicotinamide-adenine-dinucleotide: G11 (= G31), S14 (≠ T34), M16 (≠ I36), D35 (= D55), I36 (= I56), A60 (≠ C80), D61 (= D81), I62 (≠ L82), N88 (= N108), A89 (= A109), G90 (≠ A110), V111 (= V131), N112 (= N132), I138 (≠ L158), A139 (≠ G159), S140 (= S160), Y152 (= Y173), K156 (= K177), P182 (= P203), G183 (= G204), I185 (≠ V206), M189 (≠ L214)

Q9KJF1 (2S)-[(R)-hydroxy(phenyl)methyl]succinyl-CoA dehydrogenase subunit BbsD; (S,R)-2-(alpha-hydroxybenzyl)succinyl-CoA dehydrogenase subunit BbsD; EC 1.1.1.429 from Thauera aromatica (see 2 papers)
35% identity, 91% coverage: 24:264/266 of query aligns to 5:242/248 of Q9KJF1

query
sites
Q9KJF1

D

N

R

R

T

V

V

A

L

L

I

I

T

T

G

G

G

S

A

A

T
x
S

G

G

I

M

G

G

A

K

S

Q

F

T

V

A

E

L

H

R

F

F

A

A

A

E

Q

Q

G

G

A

A

R

A

V

V

A

V

F

I

F

N

D
|
D

I

I

D

D

A

A

S

E

A

K

G

V

E

R

A

A

L

T

A

V

D

D

E

E

L

F

G

S

D

A

S

R

K

G

H

H

K

R

P

V

L

L

F

G

L

A

S

V

C

A

D
|
D

L
x
I

T

G

D

N

I

K

D

A

A

A

L

V

Q

D

K

G

A

M

I

V

A

K

D

Q

V

T

K

I

A

D

A

A

L

F

G

G

P

R

I

I

Q

D

V

I

L

L

V

V

N

N

N
|
N

A

A

A

G

N

M

D

E

K

R

R

A

H

G

T

A

I

L

G

R

E

K

V

L

T

S

R

E

E

A

S

D

F

W

D

D

A

V

G

T

I

I

A

N

V

V

N

N

I

L

R

K

H

G

Q

T

F

F

F

L

A

C

A

T

Q

Q

A

A

V

V

M

H

E

G

D

H

M

M

K

V

A

E

A

N

N

K

S

H

G

G

S

R

I

I

I

V

N

N

L

I

G

A

S

S

I

R

S

A

W

W

M

L

L

G

K

G

N

A

G

G

G

Q

Y

T

P

P

V

-

Y
|
Y

V

S

M

S

S

A

K
|
K

S

A

A

G

V

V

Q

V

G

G

L

M

T

T

R

R

G

A

L

L

A

A

R

I

D

E

L

L

G

G

H

R

F

A

N

G

I

I

R

T

V

V

N

N

T

C

L

V

V

A

P

P

G

G

W

L

V

I

M

H

T

T

E

P

K

-

Q

-

K

-

R

-

L

M

W

W

-

D

-

E

L

L

D

P

D

E

A

K

G

D

R

Q

S

F

I

L

K

L

E

S

G

R

Q

Q

C

P

I

T

D

G

A

K

E

L

L

G

E

E

P

P

A

D

D

D

L

I

A

A

R

N

M

T

A

L

L

L

F

F

L

L

A

A

A

D

D

D

S

S

R

G

M

F

I

V

T

T

A

G

Q

Q

D

V

I

L

V

Y

V

V

D

C

G

G

S15 (≠ T34) binding
D36 (= D55) binding
D62 (= D81) binding
I63 (≠ L82) binding
N89 (= N108) binding
Y153 (= Y173) binding
K157 (= K177) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
33% identity, 92% coverage: 21:265/266 of query aligns to 4:224/227 of 5itvD

query
sites
5itvD

S

N

L

L

V

T

D

D

R

K

T

T

V

V

L

L

I

I

T

T

G
|
G

G

G

A

A

T
x
S

G
|
G

I
|
I

G

G

A

Y

S

A

F

A

V

V

E

Q

H

A

F

F

A

L

A

G

Q

Q

G

Q

A

A

R

N

V

V

A

V

F

V

F

A

D
|
D

I
|
I

D

D

A

E

S

A

A

Q

G

G

E

E

A

A

L

M

A

V

-

R

D

K

E

E

L

N

G

N

D

D

S

R

K

L

H

H

K

-

P

-

L

-

F

F

L

V

S

Q

C
x
T

D
|
D

L
x
I

T

T

D

D

I

E

D

A

A

A

L

C

Q

Q

K

H

A

A

I

V

A

E

D

S

V

A

K

V

A

H

A

T

L

F

G

G

P

G

I

L

Q

D

V

V

L

L

V

I

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

E

K

I

R

V

H

A

T

P

I

I

G

H

E

E

V

M

T

E

R

L

E

S

S

D

F

W

D

N

A

K

G

V

I

L

A

Q

V
|
V

N

N

I

L

R

T

H

G

Q

M

F

F

F

L

A

M

A

S

Q

K

A

H

V

A

M

L

E

K

D

H

M

M

K

L

A

A

N

G

S

K

G

G

S

N

I

I

N

N

L
x
T

G
x
C

S
|
S

I

V

S

G

W

G

M

L

L

V

K

A

N

W

G

P

G

D

Y

I

P

P

V

A

Y
|
Y

V

N

M

A

S

S

K
|
K

S

G

A

G

V

V

Q

L

G

Q

L

L

T

T

R

K

G

S

L

M

A

A

R

V

D

D

L

Y

G

A

H

K

F

H

N

Q

I

I

R

R

V

V

N

N

T

C

L

V

V

C

P
|
P

G
|
G

W
x
I

V
x
I

M

D

T
|
T

E

L

K

R

Q

L

K

G

R

K

L

-

W

-

L

-

D

-

A

-

G

-

R

-

S

-

I

-

K

-

E

-

G

-

Q

-

C

-

I

-

D

-

A

-

E

-

L

-

E

-

P

P

A

E

D

E

L

I

A

A

R

N

M

V

A

M

L

L

F

F

L

L

A

A

A

S

D

D

D

L

S

S

R

S

M

Y

I

M

T

T

A

G

Q

S

D

A

I

I

V

T

V

A

D

D

G

G

W

Y

active site: G18 (= G35), S141 (= S160), Y154 (= Y173), K158 (= K177)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G31), S17 (≠ T34), G18 (= G35), I19 (= I36), D38 (= D55), I39 (= I56), T61 (≠ C80), D62 (= D81), I63 (≠ L82), N89 (= N108), A90 (= A109), G91 (≠ A110), I92 (≠ N111), V112 (= V131), T139 (≠ L158), C140 (≠ G159), S141 (= S160), Y154 (= Y173), K158 (= K177), P184 (= P203), G185 (= G204), I186 (≠ W205), I187 (≠ V206), T189 (= T208)

Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
36% identity, 91% coverage: 22:264/266 of query aligns to 5:245/249 of Q5P5I4

query
sites
Q5P5I4

L

L

V

K

D

D

R

K

T

L

V

A

L

V

I

I

T

T

G

G

A

A

T
x
N

G
|
G

I
|
I

G

G

A

R

S

A

F

I

V

A

E

E

H

R

F

F

A

A

A

V

Q

E

G

G

A

A

R

D

V

I

A

A

F

I

F

A

D
|
D

-

L

I

V

D

P

A

A

S

P

A

E

G

A

E

E

A

A

L

A

A

I

D

R

E

N

L

L

G

G

D

-

S

-

K

-

H

R

K

R

P

V

L

L

F

T

L

V

S

K

C
|
C

D
|
D

L
x
V

T

S

-

Q

-

P

-

G

D

D

I

V

D

E

A

A

L

F

Q

G

K

K

A

-

I

-

A

-

D

Q

V

V

K

I

A

S

A

T

L

F

G

G

P

R

I

C

Q

D

V

I

L

L

V

V

N

N

N
|
N

A

A

A

G

N

I

D
x
Y

K

P

R

L

H

I

T

P

I

F

G

D

E

E

V

L

T

T

R

F

E

E

S

Q

F

W

D

K

A

K

G

T

I

F

A

E

V

I

N

N

I

V

R

D

H

S

Q

G

F

F

F

L

A

M

A

A

Q

K

A

A

V

F

M

V

E

P

D

G

M

M

K

K

A

R

A

N

N

G

S

W

G

G

S

R

I

I

N

N

L

L

G

T

S

S

I

T

S

T

W

Y

M

W

L

L

K

K

N

I

G

E

G

A

Y

Y

P

T

V

H

Y

Y

V

I

M

S

S

T

K
|
K

S

A

A

A

V

N

Q

I

G

G

L

F

T

T

R

R

G

A

L

L

A

A

R

S

D

D

L

L

G

G

H

K

F

D

N

G

I

I

R

T

V

V

N

N

T

A

L

I

V

A

P
|
P

G
x
S

W
x
L

V
|
V

M

R

T

T

E

A

K
x
T

Q

T

K

E

R

A

L

S

W

A

L

L

D

S

D

A

A

M

G

F

R

D

R

V

S

L

I

P

K

N

E

M

G

L

Q

Q

C

A

I

I

D

P

A

R

E

L

L

Q

E

V

P

P

A

L

D

D

L

L

A

T

R

G

M

A

A

A

L

A

F

F

L

L

A

A

A

S

D

D

S

A

R

S

M

F

I

I

T

T

A

G

Q

Q

D

T

I

L

V

A

V

V

D

D

G

G

NGI 17:19 (≠ TGI 34:36) binding
D38 (= D55) binding
CDV 61:63 (≠ CDL 80:82) binding
N89 (= N108) binding
Y93 (≠ D112) binding
K158 (= K177) binding
PSLV 184:187 (≠ PGWV 203:206) binding
T191 (≠ K210) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
36% identity, 91% coverage: 22:264/266 of query aligns to 3:243/247 of 2ewmB

query
sites
2ewmB

L

L

V

K

D

D

R

K

T

L

V

A

L

V

I

I

T

T

G
|
G

G

G

A

A

T
x
N

G
|
G

I
|
I

G

G

A

R

S

A

F

I

V

A

E

E

H

R

F

F

A

A

A

V

Q

E

G

G

A

A

R

D

V

I

A

A

F

I

F

A

D
|
D

-
x
L

I

V

D

P

A

A

S

P

A

E

G

A

E

E

A

A

L

A

A

I

D

R

E

N

L

L

G

G

D

-

S

-

K

-

H

R

K

R

P

V

L

L

F

T

L

V

S

K

C
|
C

D
|
D

L
x
V

T

S

-

Q

-

P

-

G

D

D

I

V

D

E

A

A

L

F

Q

G

K

K

A

-

I

-

A

-

D

Q

V

V

K

I

A

S

A

T

L

F

G

G

P

R

I

C

Q

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

I

D
x
Y

K

P

R

L

H

I

T

P

I

F

G

D

E

E

V

L

T

T

R

F

E

E

S

Q

F

W

D

K

A

K

G

T

I

F

A

E

V
x
I

N

N

I

V

R

D

H

S

Q

G

F

F

F

L

A

M

A

A

Q

K

A

A

V

F

M

V

E

P

D

G

M

M

K

K

A

R

A

N

N

G

S

W

G

G

S

R

I

I

N

N

L

L

G
x
T

S
|
S

I

T

S

T

W

Y

M

W

L

L

K

K

N

I

G

E

G

A

Y
|
Y

P

T

V

H

Y
|
Y

V

I

M

S

S

T

K
|
K

S

A

A

A

V

N

Q

I

G

G

L

F

T

T

R

R

G

A

L

L

A

A

R

S

D

D

L

L

G

G

H

K

F

D

N

G

I

I

R

T

V

V

N

N

T

A

L

I

V

A

P
|
P

G
x
S

W
x
L

V
|
V

M

R

T
|
T

E

A

K
x
T

Q
x
T

K

E

R

A

L

S

W

A

L

L

D

S

D

A

A

M

G

F

R

D

R

V

S

L

I

P

K

N

E

M

G

L

Q

Q

C

A

I

I

D

P

A

R

E

L

L

Q

E

V

P

P

A

L

D

D

L

L

A

T

R

G

M

A

A

A

L

A

F

F

L

L

A

A

A

S

D

D

S

A

R

S

M

F

I

I

T

T

A

G

Q

Q

D

T

I

L

V

A

V

V

D

D

G

G

active site: G16 (= G35), S139 (= S160), Y149 (= Y170), Y152 (= Y173), K156 (= K177)
binding nicotinamide-adenine-dinucleotide: G12 (= G31), N15 (≠ T34), G16 (= G35), I17 (= I36), D36 (= D55), L37 (vs. gap), C59 (= C80), D60 (= D81), V61 (≠ L82), N87 (= N108), A88 (= A109), G89 (≠ A110), Y91 (≠ D112), I110 (≠ V131), T138 (≠ G159), S139 (= S160), Y152 (= Y173), K156 (= K177), P182 (= P203), S183 (≠ G204), L184 (≠ W205), V185 (= V206), T187 (= T208), T189 (≠ K210), T190 (≠ Q211)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh
32% identity, 91% coverage: 22:264/266 of query aligns to 6:244/247 of 7tzpG

query
sites
7tzpG

L

L

V

A

D

S

R

K

T

T

V

A

L

I

I

V

T

T

G
|
G

G

A

A
|
A

T
x
R

G
|
G

I
|
I

G

G

A

F

S

G

F

I

V

A

E

Q

H

V

F

L

A

A

A

R

Q

E

G

G

A

A

R

R

V

V

A

I

F

I

F

A

D
|
D

I
x
R

D

D

A

A

S

H

A

-

G

G

E

E

A

A

L

A

A

A

D

A

E

S

L

L

G

R

D

E

S

S

K

G

H

A

K

Q

P

A

L

L

F

F

L

I

S

S

C
|
C

D
x
N

L
x
I

T

A

D

E

I

K

D

T

A

Q

L

V

Q

E

K

A

A

L

I

F

A

S

D

Q

V

A

K

E

A

E

A

A

L

F

G

G

P

P

I

V

Q

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

N

K

R

R

D

H

A

T

M

I

L

G

H

E

K

V

L

T

T

R

E

E

A

S

D

F

W

D

D

A

T

G

V

I

I

A

D

V
|
V

N

N

I

L

R

K

H

G

Q

T

F

F

F

L

A

C

A

M

Q

Q

A

Q

V

A

M

A

E

I

D

R

M

M

K

R

A

E

A

R

N

G

S

A

G

G

S

R

I

I

N

N

L
x
I

G

A

S
|
S

I

A

S

S

W

W

M

-

L

L

K

G

N

N

G

V

G

G

Y

Q

P

T

V

N

Y
|
Y

V

S

M

A

S

S

K
|
K

S

A

A

G

V

V

Q

V

G

G

L

M

T

T

R

K

G

T

L

A

A

C

R

R

D

E

L

L

G

A

H

K

F

K

N

G

I

V

R

T

V

V

N

N

T

A

L

I

V

C

P
|
P

G
|
G

W
x
F

V
x
I

M

D

T
|
T

E

D

K
x
M

Q
x
T

K

R

-

G

-

V

-

P

-

E

R

N

L

V

W

W

L

Q

D

I

D

M

A

V

G

S

R

K

R

-

S

-

I

I

K

P

E

A

G

G

Q

Y

C

A

I

G

D

E

A

A

E

K

L

-

E

-

P

-

A

-

D

D

L

V

A

G

R

E

M

C

A

V

L

A

F

F

L

L

A

A

A

S

D

D

D

G

S

A

R

R

M

Y

I

I

T

N

A

G

Q

E

D

V

I

I

V

N

V

V

D

G

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G31), A17 (= A33), R18 (≠ T34), G19 (= G35), I20 (= I36), D39 (= D55), R40 (≠ I56), C63 (= C80), N64 (≠ D81), I65 (≠ L82), N91 (= N108), A92 (= A109), G93 (≠ A110), I94 (≠ N111), V114 (= V131), I141 (≠ L158), S143 (= S160), Y155 (= Y173), K159 (= K177), P185 (= P203), G186 (= G204), F187 (≠ W205), I188 (≠ V206), T190 (= T208), M192 (≠ K210), T193 (≠ Q211)

Q9BTZ2 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; NADPH-dependent retinol dehydrogenase/reductase; NRDR; humNRDR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; SCAD-SRL; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; Short-chain dehydrogenase/reductase family member 4; EC 1.1.1.184 from Homo sapiens (Human) (see 2 papers)
31% identity, 97% coverage: 8:264/266 of query aligns to 16:273/278 of Q9BTZ2

query
sites
Q9BTZ2

N

S

V

V

R

R

L

M

A

A

D

S

S

S

A

G

F

M

A

T

R

R

Y

R

P

D

S

P

L

L

V

A

D

N

R

K

T

V

V

A

L

L

I

V

T

T

G

A

G

S

A

T

T

D

G

G

I

I

G

G

A

F

S

A

F

I

V

A

E

R

H

R

F

L

A

A

A

Q

Q

D

G

G

A

A

R

H

V

V

A

V

F

V

F

S

D

S

I

R

D

K

A

Q

S

Q

A

N

G

V

E

D

A

Q

L

A

A

V

D

A

E

T

L

L

G

Q

D

G

S

E

K

G

H

L

K

S

P

V

L

T

F

G

L

T

S

V

C

C

D

H

L

V

T

G

D

K

I

A

D

E

A

D

L

R

Q

E

K

R

A

L

I

V

A

A

D

T

V

A

K

V

A

K

A

L

L

H

G

G

P

G

I

I

Q

D

V

I

L

L

V

V

N

S

N

N

A

A

-

V

N

N

D

P

K

F

R

F

H

G

T

S

I

I

G

M

E

D

V

V

T

T

R

E

E

E

S

V

F

W

D

D

A

K

G

T

I

L

A

D

V

I

N

N

I

V

R

K

H

A

Q

P

F

A

F

L

A

M

A

T

Q

K

A

A

V

V

M

V

E

P

D

E

M

M

K

E

A

K

A

R

N

G

S

G

G

G

S

S

I

V

N

I

L

V

G

S

S

S

I

I

S

A

W

A

M

F

L

S

K

P

N
x
S

G

P

G

G

Y
x
F

P

S

V

P

Y

Y

V

N

M

V

S

S

K

K

S

T

A

A

V

L

Q

L

G

G

L

L

T

T

R

K

G
x
T

L

L

A

A

R

I

D

E

L

L

G

A

H

P

F

R

N

N

I

I

R

R

V

V

N

N

T

C

L

L

V

A

P

P

G

G

W

L

V

I

M

K

T

T

E

S

K

F

Q

S

K

R

R

M

L

L

W

W

L

M

D

D

D

K

A

E

G

K

R

E

S

S

I

M

K

K

E

E

G

T

Q

L

C

R

I

I

D

R

A

R

E

L

L

G

E

E

P

P

A

E

D

D

L

C

A

A

R

G

M

I

A

V

L

S

F

F

L

L

A

C

A

S

D

E

D

D

S

A

R

S

M

Y

I

I

T

T

A

G

Q

E

D

T

I

V

V

V

D

G

G

G

S176 (≠ N167) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to F: Decreased reduction activity for benzil, isatin and retinal and increased activity for 5beta-Pregnane-3,20-dione and 5beta-Dihydrotestosterone. No change of stereoselectivity in 3-ketosteroids reduction and no change in 3beta-hydroxysteroid oxidation. Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with L-179. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with L-179. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with L-179. Loss of cold catalytic inactivation; when associated with L-179 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with L-179 and N-195.
F179 (≠ Y170) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to L: Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with F-176. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with F-176. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176. Loss of cold catalytic inactivation; when associated with F-176 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and N-195.
T195 (≠ G186) mutation to N: Loss of cold catalytic inactivation. Loss of cold catalytic inactivation; when associated with F-176 and L-179. Switch in stereoselective activity from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176 and L-179. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and L-179.

P9WGT3 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl reductase; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; Mycolic acid biosynthesis A; EC 1.1.1.100; EC 1.1.1.36 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 7 papers)
34% identity, 92% coverage: 20:264/266 of query aligns to 11:242/247 of P9WGT3

query
sites
P9WGT3

P

P

S

P

L

F

V

V

D

S

R

R

T

S

V

V

L

L

I

V

T
|
T

G

G

A

N

T
x
R

G
|
G

I
|
I

G

G

A

L

S

A

F

I

V

A

E

Q

H

R

F

L

A

A

Q

D

G

G

A

H

R

K

V

V

A

A

F

V

F

-

D

-

I

-

D

-

A

-

S

-

A

-

G

-

E

-

A

-

L

-

A

-

D

T

E

H

L
x
R

G

G

D

S

S

G

K

A

H

P

K

K

P

G

L

L

F

F

-

G

L

V

S

E

C
|
C

D
|
D

L
x
V

T

T

D

D

I

S

D

D

A

A

L

V

Q

D

K

R

A

A

I

F

A

T

D

A

V

V

K

E

A

E

A

H

L

Q

G

G

P

P

I

V

Q

E

V

V

L

L

V

V

N

S

N

N

A

A

A
x
G

N

L

D

S

K

A

R

D

H

A

T

F

I

L

G

M

E

R

V

M

T

T

R

E

E

E

S

K

F

F

D

E

A

K

G

V

I

I

A

N

V

A

N

N

I

L

R
x
T

H

G

Q

A

F

F

F

R

A

V

A

A

Q

Q

A

R

V

A

M

S

E

R

D

S

M

M

K

Q

A

R

A

N

N

K

S

F

G

G

S

R

I

M

I

I

N

F

L

I

G
|
G

S
|
S

I

V

S

S

W

G

M
x
S

L

W

K

G

N

I

G

G

G

N

Y

Q

P

A

V

N

Y

Y

V

A

M

A

S

S

K

K

S

A

A

G

V

V

Q

I

G

G

L

M

T

A

R

R

G

S

L

I

A

A

R

R

D

E

L

L

G

S

H

K

F

A

N

N

I

V

R

T

V

A

N

N

T

V

L

V

V

A

P

P

G

G

W
x
Y

V

I

M

D

T

T

E

D

K

M

Q
x
T

K

R

R

-

L

-

W

A

L

L

D

D

D

E

A

-

G

-

R

-

S

R

I

I

K

Q

E

Q

G

G

-

A

-

L

Q

Q

C

F

I

I

D

P

A

A

E

K

L

R

-

V

-

G

E

T

P

P

A

A

D

E

L

V

A

A

R

G

M

V

A

V

L

S

F

F

L

L

A

A

A

S

D

E

D

D

S

A

R

S

M

Y

I

I

T

S

A

G

Q

A

D

V

I

I

V

P

V

V

D

D

G

G

T21 (= T30) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-114 and A-191.
RGI 25:27 (≠ TGI 34:36) binding
R47 (≠ L68) binding
C60 (= C80) mutation to V: Displays a lower activity than the wild-type and a slightly decreased affinity for the cofactor. Retains 84% of activity; when associated with L-144. Totally inactive; when associated with A-139 and L-144.
DV 61:62 (≠ DL 81:82) binding
G90 (≠ A110) binding
T114 (≠ R134) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-191.
G139 (= G159) mutation to A: Complete protein inactivation and freezes the catalytic site into its closed form. Totally inactive; when associated with V-60 and L-144.
S140 (= S160) mutation to A: Loss of activity. Can still bind NADPH.; mutation to T: Loss of activity. Impaired NADPH binding.
S144 (≠ M164) mutation to L: Stabilizes the catalytic loop in its open active form. Retains 84% of activity; when associated with V-60. Totally inactive; when associated with V-60 and A-139.
Y185 (≠ W205) mutation to L: 70% decrease in activity with acetoacetyl-CoA as substrate. Does not affect NADP binding.
T191 (≠ Q211) modified: Phosphothreonine; mutation to A: Retains 22% of wild-type reductase activity. Strong decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-114.; mutation to D: Phosphomimetic mutant that retains less than 10% of wild-type reductase activity. Impaired NADPH binding. Overproduction of the mutant leads to a significant inhibition of de novo biosynthesis of mycolic acids.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5wuwA Serratia marcescens short-chain dehydrogenase/reductase f98l/f202l mutant (see paper)
35% identity, 92% coverage: 22:266/266 of query aligns to 3:244/245 of 5wuwA

query
sites
5wuwA

L

L

V

Q

D

G

R

K

T

V

V

A

L

F

I

V

T

Q

G
|
G

G

G

A
x
S

T
x
R

G
|
G

I
|
I

G

G

A

A

S

A

F

I

V

V

E

K

H

R

F

L

A

A

A

S

Q

E

G

G

A

A

R

A

V

V

A

A

F

F

-

T

F
x
Y

D
x
A

I
x
A

D

S

A

A

S

D

A

R

G

A

E

E

A

A

L

V

A

A

D

S

E

A

L

V

G

T

D

T

S

A

K

G

H

G

K

K

P

V

L

L

F

A

L

I

S

K

C
x
A

D
|
D

L
x
S

T

A

D

D

I

A

D

A

A

A

L

L

Q

Q

K

Q

A

A

I

V

A

R

D

Q

V

A

K

V

A

S

A

H

L

F

G

G

P

N

I

L

Q

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
V

D

L

K

T

R

L

H

G

T

G

I

T

G

E

E

E

V

L

T

A

R

L

E

D

S

D

F

L

D

D

A

R

G

M

I

L

A

A

V
|
V

N

N

I

V

R

R

H

S

Q

V

F

F

F

V

A

A

A

S

Q

Q

A

E

V

A

M

A

E

R

D

H

M

M

K

N

A

-

N

D

S

G

G

G

S

R

I

I

N

H

L
x
I

G
|
G

S
|
S

I

T

-

N

S

A

W

E

M

R

L

V

K

P

N

F

G

G

Y

A

P

A

V

V

Y
|
Y

V

A

M

M

S

S

K
|
K

S

S

A

A

V
x
L

Q

V

G

G

L

L

T

T

R

K

G

G

L

M

A

A

R

R

D

D

L

L

G

G

H

P

F

R

N

S

I

I

R

T

V

V

N

N

T

N

L

V

V

Q

P
|
P

G
|
G

W
x
P

V
|
V

M

D

T
|
T

E

E

K

M

Q
x
N

K

P

R

-

L

-

W

-

L

-

D

-

D

D

A

A

G

G

R

E

R

L

S

A

-

D

-

Q

I

L

K

K

E

Q

G

L

Q

M

C

A

I

I

D

G

A

R

E

Y

L

G

E

K

P

D

A

E

D

E

L

I

A

A

R

G

M

F

A

V

L

A

F

Y

L

L

A

A

A

G

D

P

D

Q

S

A

R

G

M

Y

I

I

T

T

A

G

Q

A

D

S

I

L

V

S

V

I

D

D

G

G

W

F

A

S

active site: G16 (= G35), S140 (= S160), Y154 (= Y173), L161 (≠ V180)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G31), S14 (≠ A33), R15 (≠ T34), G16 (= G35), I17 (= I36), Y36 (≠ F54), A37 (≠ D55), A38 (≠ I56), A62 (≠ C80), D63 (= D81), S64 (≠ L82), N90 (= N108), A91 (= A109), G92 (≠ A110), V93 (≠ N111), V113 (= V131), I138 (≠ L158), G139 (= G159), S140 (= S160), Y154 (= Y173), K158 (= K177), P184 (= P203), G185 (= G204), P186 (≠ W205), V187 (= V206), T189 (= T208), N192 (≠ Q211)

4nbwA Crystal structure of fabg from plesiocystis pacifica (see paper)
35% identity, 90% coverage: 25:264/266 of query aligns to 2:248/253 of 4nbwA

query
sites
4nbwA

R

R

T

V

V

A

L

I

I

I

T

T

G
|
G

G

A

A
|
A

T
x
N

G
|
G

I
|
I

G

G

A

R

S

A

F

T

V

A

E

L

H

E

F

F

A

A

A

Q

Q

A

G

G

A

Y

R

H

V

V

A

V

F

A

F

W

D
|
D

I
x
L

D

A

A

E

S

E

A

A

G

G

E

A

A

A

L

L

A

I

D

A

E

E

L

I

G

A

D

D

S

A

K

G

H

G

K

S

P

A

L

D

F

F

L

A

S

R

C
x
V

D
|
D

L
x
V

T

S

D

A

I

A

D

E

A

S

L

V

Q

E

K

A

A

A

I

V

A

A

D

E

V

I

K

I

A

A

A

E

L

H

G

G

P

R

I

V

Q

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

-
x
I

-

L

N

H

D

D

K

G

R

Q

H

L

T

V

I

K

-

V

-

K

-

G

G

G

E

E

V

V

T

V

R

K

E

K

-

M

-

A

-

E

-

A

S

Q

F

F

D

D

A

A

G

V

I

I

A

S

V
|
V

N

N

I

L

R

K

H

G

Q

V

F

F

F

L

A

C

A

T

Q

Q

A

A

V

V

M

A

E

P

D

H

M

M

K

I

A

A

N

K

S

Y

G

G

S

R

I

I

I

L

N

N

L
x
A

G
x
S

S
|
S

I

V

S

V

W

G

M

L

L

Y

K

G

N

N

G

F

G

G

Y

Q

P

T

V

N

Y
|
Y

V

V

M

A

S

A

K
|
K

S

S

A

G

V

V

Q

I

G

G

L

M

T

T

R

K

G

V

L

W

A

A

R

R

D

E

L

L

G

G

H

R

F

Y

N

G

I

I

R

T

V

V

N

N

T

A

L

I

V

A

P
|
P

G
|
G

W

F

V
x
I

M

A

T
|
T

E

E

K

M

Q

V

K

Q

R

Q

L

M

-

P

-

E

W

R

L

V

D

L

D

E

A

A

G

M

R

V

R

A

S

R

I

T

K

P

E

V

G

G

Q

R

C

I

I

G

D

D

A

-

E

-

L

-

E

-

P

P

A

V

D

D

L

I

A

A

R

R

M

A

A

Y

L

L

F

F

L

L

A

A

A

S

D

E

S

S

R

G

M

F

I

I

T

S

A

G

Q

T

D

T

I

L

V

S

V

V

D

D

G

G

active site: G12 (= G35), S146 (= S160), Y159 (= Y173), K163 (= K177)
binding nicotinamide-adenine-dinucleotide: G8 (= G31), A10 (= A33), N11 (≠ T34), G12 (= G35), I13 (= I36), D32 (= D55), L33 (≠ I56), V57 (≠ C80), D58 (= D81), V59 (≠ L82), N85 (= N108), A86 (= A109), G87 (≠ A110), I88 (vs. gap), V117 (= V131), A144 (≠ L158), S145 (≠ G159), S146 (= S160), Y159 (= Y173), K163 (= K177), P189 (= P203), G190 (= G204), I192 (≠ V206), T194 (= T208)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
28% identity, 92% coverage: 22:265/266 of query aligns to 4:249/252 of 1vl8B

query
sites
1vl8B

L

L

V

R

D

G

R

R

T

V

V

A

L

L

I

V

T

T

G
|
G

G

G

A
x
S

T
x
R

G
|
G

I
x
L

G

G

A

F

S

G

F

I

V

A

E

Q

H

G

F

L

A

A

A

E

Q

A

G

G

A

C

R

S

V

V

A

V

F

V

-

A

-
x
S

-
x
R

-
x
N

F

L

D

E

I

E

D

A

A

S

S

E

A

A

G

A

E

Q

A

K

L

L

A

T

D

E

E

K

L

Y

G

G

D

-

S

-

K

-

H

V

K

E

P

T

L

M

F

A

L

F

S

R

C
|
C

D
|
D

L
x
V

T

S

D

N

I

Y

D

E

A

E

L

V

Q

K

K

K

A

L

I

L

A

E

D

A

V

V

K

K

A

E

A

K

L

F

G

G

P

K

I

L

Q

D

V

T

L

V

V

V

N

N

N
x
A

A
|
A

A
x
G

N
x
I

D

N

K

R

R

R

H

H

T

P

I

A

G

E

E

E

V

F

T

P

R

L

E

D

S

E

F

F

D

R

A

Q

G

V

I

I

A

E

V
|
V

N

N

I

L

R

F

H

G

Q

T

F

Y

A

V

A

C

Q

R

A

E

V

A

M

F

E

S

D

L

M

L

K

R

A

E

A

S

N

D

S

N

G

P

S

S

I

I

N

N

L
x
I

G
|
G

S
|
S

I

L

S

T

W

-

M

-

L

V

K

E

N

E

G

V

G

T

Y

M

P

P

-

N

-
x
I

-

S

V

A

Y
|
Y

V

A

M

A

S

S

K
|
K

S

G

A

G

V

V

Q

A

G

S

L

L

T

T

R

K

G

A

L

L

A

A

R

K

D

E

L

W

G

G

H

R

F

Y

N

G

I

I

R

R

V

V

N

N

T

V

L

I

V

A

P
|
P

G
|
G

W
|
W

V
x
Y

M

R

T
|
T

E
x
K

K
x
M

Q
x
T

K

E

R

A

L

V

W

F

L

S

D

D

D

P

A

E

G

K

R

L

R

D

S

Y

I

M

K

L

E

K

G

R

Q

I

C

P

I

L

D

G

A

R

E

T

L

G