SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing HSERO_RS05240 FitnessBrowser__HerbieS:HSERO_RS05240 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)

4gvxA Crystal structure of a short chain dehydrogenase homolog (target efi- 505321) from burkholderia multivorans, with bound NADP and l-fucose
77% identity, 100% coverage: 1:257/258 of query aligns to 1:257/258 of 4gvxA

query
sites
4gvxA

L

M

D

D

L

L

N

N

L

L

Q

Q

D

D

K

K

V

V

I

I

V

V

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
|
I

G

G

A

G

A

A

I

I

S

S

L

M

Q

R

L

L

A

A

A

E

E

E

G

R

A

A

I

I

P

P

V

V

F

F

A
|
A

R
|
R

S
x
H

A

A

P

P

E

D

S

G

Q

A

F

F

W

L

E

D

R

A

L

L

T

A

A

Q

V

R

Q

Q

P

P

R

R

A

A

A

T

L

Y

F

L

Q

P

L
x
V

E
|
E

L
|
L

Q
|
Q

D

D

A

A

R

Q

C

C

R

R

E

D

A

A

V

V

A

A

G

Q

T

T

I

I

E

A

R

T

F

F

G

G

R

R

L

L

D

D

G

G

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V

V

N
|
N

D

D

S

G

V

I

G

G

L

L

E

D

A

A

G

G

R

R

D

D

E

A

F

F

V

V

A

A

S

S

L

L

E

E

R

R

N

N

L

L

I

I

H

H

Y

Y

V

A

M

M

A

A

H

H

Y

Y

C

C

V

V

P

P

H

H

L

L

K

K

A

A

T

T

R

R

G

G

A

A

I

I

I

V

N

N

V
x
I

S
|
S

K
|
K

T
|
T

A

A

V

V

T

T

G

G

Q
|
Q

G

G

N

N

T
|
T

S

S

G

G

Y
|
Y

C

C

A

A

S

S

K
|
K

G

G

A

A

Q

Q

L

L

S

A

L

L

T

T

R

R

E

E

W

W

A

A

A

V

A

A

L

L

R

R

D

E

D

H

G

G

V

V

R

R

V

V

N

N

A

A

L

V

I

I

P
|
P

A
|
A

E
|
E

V
|
V

M

M

T
|
T

P
|
P

L
|
L

Y
|
Y

E

R

K

N

W
|
W

I

I

A

A

T

T

F

F

D

E

H

D

P

P

Q

E

E

A

K

K

L

L

D

A

A

E

I

I

T

A

S

A

K

K

I

V

P

P

L

L

G

G

K

R

R

R

F

F

T

T

S

P

E

D

E

E

M

I

A

A

D

D

M

T

A

A

V

V

F

F

L

L

S

S

E

P

R

R

S

A

S

S

H

H

T

T

G

G

Q

E

W

W

I

L

F

F

V

V

D

D

G

G

Y

Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

active site: G18 (= G18), S140 (= S140), T150 (= T150), Y153 (= Y153), K157 (= K157), W194 (= W194)
binding beta-L-fucopyranose: N94 (= N94), S140 (= S140), K141 (= K141), T142 (= T142), Q147 (= Q147), Y153 (= Y153), A184 (= A184), E185 (= E185), Y191 (= Y191), W194 (= W194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G14), S17 (= S17), G18 (= G18), I19 (= I19), A38 (= A38), R39 (= R39), H40 (≠ S40), V62 (≠ L62), E63 (= E63), L64 (= L64), Q65 (= Q65), N90 (= N90), A91 (= A91), G92 (= G92), I138 (≠ V138), S139 (= S139), S140 (= S140), Y153 (= Y153), K157 (= K157), P183 (= P183), A184 (= A184), E185 (= E185), V186 (= V186), T188 (= T188), P189 (= P189), L190 (= L190), Y191 (= Y191)

4gloA Crystal structure of a short chain dehydrogenase homolog (target efi- 505321) from burkholderia multivorans, with bound NAD
77% identity, 100% coverage: 1:257/258 of query aligns to 1:257/258 of 4gloA

query
sites
4gloA

L

M

D

D

L

L

N

N

L

L

Q

Q

D

D

K

K

V

V

I

I

V

V

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
|
I

G

G

A

G

A

A

I

I

S

S

L

M

Q

R

L

L

A

A

A

E

E

E

G

R

A

A

I

I

P

P

V

V

F

F

A
|
A

R
|
R

S

H

A

A

P

P

E

D

S

G

Q

A

F

F

W

L

E

D

R

A

L

L

T

A

A

Q

V

R

Q

Q

P

P

R

R

A

A

A

T

L

Y

F

L

Q

P

L
x
V

E
|
E

L
|
L

Q
|
Q

D

D

A

A

R

Q

C

C

R

R

E

D

A

A

V

V

A

A

G

Q

T

T

I

I

E

A

R

T

F

F

G

G

R

R

L

L

D

D

G

G

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V

V

N

N

D

D

S

G

V

I

G

G

L

L

E

D

A

A

G

G

R

R

D

D

E

A

F

F

V

V

A

A

S

S

L

L

E

E

R

R

N

N

L

L

I

I

H

H

Y

Y

V

A

M

M

A

A

H

H

Y

Y

C

C

V

V

P

P

H

H

L

L

K

K

A

A

T

T

R

R

G

G

A

A

I

I

I

V

N

N

V
x
I

S
|
S

K

K

T

T

A

A

V

V

T

T

G

G

Q

Q

G

G

N

N

T
|
T

S

S

G

G

Y
|
Y

C

C

A

A

S

S

K
|
K

G

G

A

A

Q

Q

L

L

S

A

L

L

T

T

R

R

E

E

W

W

A

A

A

V

A

A

L

L

R

R

D

E

D

H

G

G

V

V

R

R

V

V

N

N

A

A

L

V

I

I

P
|
P

A
|
A

E
|
E

V
|
V

M

M

T
|
T

P

P

L
|
L

Y
|
Y

E

R

K

N

W

W

I

I

A

A

T

T

F

F

D

E

H

D

P

P

Q

E

E

A

K

K

L

L

D

A

A

E

I

I

T

A

S

A

K

K

I

V

P

P

L

L

G

G

K

R

R

R

F

F

T

T

S

P

E

D

E

E

M

I

A

A

D

D

M

T

A

A

V

V

F

F

L

L

S

S

E

P

R

R

S

A

S

S

H

H

T

T

G

G

Q

E

W

W

I

L

F

F

V

V

D

D

G

G

Y

Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

active site: G18 (= G18), S140 (= S140), T150 (= T150), Y153 (= Y153), K157 (= K157)
binding nicotinamide-adenine-dinucleotide: G14 (= G14), S17 (= S17), G18 (= G18), I19 (= I19), A38 (= A38), R39 (= R39), V62 (≠ L62), E63 (= E63), L64 (= L64), Q65 (= Q65), N90 (= N90), A91 (= A91), G92 (= G92), I138 (≠ V138), S139 (= S139), S140 (= S140), Y153 (= Y153), K157 (= K157), P183 (= P183), A184 (= A184), E185 (= E185), V186 (= V186), T188 (= T188), L190 (= L190), Y191 (= Y191)

4gkbB Crystal structure of a short chain dehydrogenase homolog (target efi- 505321) from burkholderia multivorans, unliganded structure
77% identity, 100% coverage: 1:257/258 of query aligns to 1:257/258 of 4gkbB

query
sites
4gkbB

L

M

D

D

L

L

N

N

L

L

Q

Q

D

D

K

K

V

V

I

I

V

V

T

T

G

G

A

A

S

S

G
|
G

I

I

G

G

A

G

A

A

I

I

S

S

L

M

Q

R

L

L

A

A

A

E

E

E

G

R

A

A

I

I

P

P

V

V

F

F

A

A

R

R

S

H

A

A

P

P

E

D

S

G

Q

A

F

F

W

L

E

D

R

A

L

L

T

A

A

Q

V

R

Q

Q

P

P

R

R

A

A

A

T

L

Y

F

L

Q

P

L

V

E

E

L

L

Q

Q

D

D

A

A

R

Q

C

C

R

R

E

D

A

A

V

V

A

A

G

Q

T

T

I

I

E

A

R

T

F

F

G

G

R

R

L

L

D

D

G

G

L

L

V

V

N

N

A

A

G

G

V

V

N

N

D

D

S

G

V

I

G

G

L

L

E

D

A

A

G

G

R

R

D

D

E

A

F

F

V

V

A

A

S

S

L

L

E

E

R

R

N

N

L

L

I

I

H

H

Y

Y

V

A

M

M

A

A

H

H

Y

Y

C

C

V

V

P

P

H

H

L

L

K

K

A

A

T

T

R

R

G

G

A

A

I

I

I

V

N

N

V

I

S

S

S
|
S

K

K

T

T

A

A

V

V

T

T

G

G

Q

Q

G

G

N

N

T
|
T

S

S

G

G

Y
|
Y

C

C

A

A

S

S

K
|
K

G

G

A

A

Q

Q

L

L

S

A

L

L

T

T

R

R

E

E

W

W

A

A

A

V

A

A

L

L

R

R

D

E

D

H

G

G

V

V

R

R

V

V

N

N

A

A

L

V

I

I

P

P

A

A

E

E

V

V

M

M

T

T

P

P

L

L

Y

Y

E

R

K

N

W
|
W

I

I

A

A

T

T

F

F

D

E

H

D

P

P

Q

E

E

A

K

K

L

L

D

A

A

E

I

I

T

A

S

A

K

K

I

V

P

P

L

L

G

G

K

R

R

R

F

F

T

T

S

P

E

D

E

E

M

I

A

A

D

D

M

T

A

A

V

V

F

F

L

L

S

S

E
x
P

R

R

S

A

S
|
S

H

H

T

T

G

G

Q

E

W

W

I

L

F

F

V

V

D

D

G

G

Y

Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

active site: G18 (= G18), S140 (= S140), T150 (= T150), Y153 (= Y153), K157 (= K157), W194 (= W194)
binding calcium ion: P234 (≠ E234), S237 (= S237)

A0A0H3KNE7 L-fucose dehydrogenase; EC 1.1.1.435 from Burkholderia multivorans (strain ATCC 17616 / 249) (see paper)
77% identity, 100% coverage: 1:257/258 of query aligns to 1:257/258 of A0A0H3KNE7

query
sites
A0A0H3KNE7

L

M

D

D

L

L

N

N

L

L

Q

Q

D

D

K

K

V

V

I

I

V

V

T

T

G

G

A

A

S
|
S

G

G

I
|
I

G

G

A

G

A

A

I

I

S

S

L

M

Q

R

L

L

A

A

A

E

E

E

G

R

A

A

I

I

P

P

V

V

F

F

A

A

R
|
R

S
x
H

A

A

P

P

E

D

S

G

Q

A

F

F

W

L

E

D

R

A

L

L

T

A

A

Q

V

R

Q

Q

P

P

R

R

A

A

A

T

L

Y

F

L

Q

P

L

V

E
|
E

L
|
L

Q

Q

D

D

A

A

R

Q

C

C

R

R

E

D

A

A

V

V

A

A

G

Q

T

T

I

I

E

A

R

T

F

F

G

G

R

R

L

L

D

D

G

G

L

L

V

V

N

N

N
|
N

A

A

G

G

V

V

N
|
N

D

D

S

G

V

I

G

G

L

L

E

D

A

A

G

G

R

R

D

D

E

A

F

F

V

V

A

A

S

S

L

L

E

E

R

R

N

N

L

L

I

I

H

H

Y

Y

V

A

M

M

A

A

H

H

Y

Y

C

C

V

V

P

P

H

H

L

L

K

K

A

A

T

T

R

R

G

G

A

A

I

I

I

V

N

N

V

I

S

S

S
|
S

K
|
K

T

T

A

A

V

V

T

T

G

G

Q
|
Q

G

G

N

N

T

T

S

S

G

G

Y
|
Y

C

C

A

A

S

S

K
|
K

G

G

A

A

Q

Q

L

L

S

A

L

L

T

T

R

R

E

E

W

W

A

A

A

V

A

A

L

L

R

R

D

E

D

H

G

G

V

V

R

R

V

V

N

N

A

A

L

V

I

I

P

P

A
|
A

E
|
E

V
|
V

M

M

T
|
T

P

P

L

L

Y

Y

E

R

K

N

W

W

I

I

A

A

T

T

F

F

D

E

H

D

P

P

Q

E

E

A

K

K

L

L

D

A

A

E

I

I

T

A

S

A

K

K

I

V

P

P

L

L

G

G

K

R

R

R

F

F

T

T

S

P

E

D

E

E

M

I

A

A

D

D

M

T

A

A

V

V

F

F

L

L

S

S

E

P

R

R

S

A

S

S

H

H

T

T

G

G

Q

E

W

W

I

L

F

F

V

V

D

D

G

G

Y

Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

S17 (= S17) binding
I19 (= I19) binding
R39 (= R39) binding
H40 (≠ S40) binding
E63 (= E63) binding
L64 (= L64) binding
N90 (= N90) binding
N94 (= N94) binding
S140 (= S140) binding
K141 (= K141) binding
Q147 (= Q147) binding
Y153 (= Y153) binding ; binding
K157 (= K157) binding
A184 (= A184) binding
E185 (= E185) binding
V186 (= V186) binding
T188 (= T188) binding

6ds1B Crystal structure of cj0485 dehydrogenase in complex with NADP+ (see paper)
48% identity, 100% coverage: 1:258/258 of query aligns to 1:258/260 of 6ds1B

query
sites
6ds1B

L

M

D

D

L

L

N

K

L

I

Q

K

D

N

K

K

V

V

V

C

I

I

V

I

T

T

G
|
G

G

G

A

A

S
x
K

G
|
G

I
|
I

G

G

A

Y

A

G

I

I

S

A

L

K

Q

L

L

W

A

A

A

S

E

E

G

G

A

G

I

I

P

P

V

V

V

I

F

F

A
x
S

R
|
R

S

S

A

M

P

P

E

K

S

E

Q

H

F

D

W

K

E

E

R

-

L

L

T

K

A

K

V

L

Q

S

P

S

R

E

A

Y

A

E

L

F

F

Y

Q

E

L
x
I

E
x
D

L
|
L

Q

K

D

N

D

Y

A

E

R

Q

C

I

R

E

E

K

A

L

V

V

A

K

G

K

T

V

I

A

E

I

R

K

F

H

G

G

R

G

L

I

D

Y

G

A

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V
x
T

N

N

D

D

S

N

V

L

G

H

L

I

E

E

-

N

A

T

G

S

R

T

D

Q

E

D

F

L

V

I

A

K

S

S

L

Y

E

E

R
x
N

N

N

L

L

I

F

H

H

Y

Y

V

T

M

M

A

T

H

K

Y

E

C

C

V

L

P

P

H

Y

L

I

K

K

A

K

T

E

R

Q

G

G

A

S

I

I

I

L

N

N

V
x
I

S
x
V

S
|
S

K

K

T

T

A

G

V

I

T

T

G

G

Q

Q

G

G

N

R

T

T

S

S

G

A

Y
|
Y

C

A

A

S

S

A

K
|
K

G

A

A

A

Q

Q

L

M

S

G

L

F

T

T

R

R

E

E

W

W

A

A

A

C

A

A

L

F

R

A

D

K

D

D

G

N

V

V

R

R

V

V

N

N

A

A

L

I

I

A

P
|
P

A
|
A

E
|
E

V
|
V

M

M

T
|
T

P

P

L
|
L

Y
|
Y

E

E

K

K

W

W

I

L

A

Q

T

N

F

F

D

P

H

N

P

P

Q

K

E

E

K

Q

L

Y

D

E

A

K

I

I

T

A

S

K

K

A

I

I

P

P

L

L

G

G

K

H

R

R

F

F

T

T

S

I

E

E

M

I

A

A

D

N

M

T

A

A

V

V

F

F

L

T

L

L

S

S

E

P

R

L

S

A

S

S

H

H

T

T

G

G

Q

Q

W

I

I

L

F

M

V

P

D

D

G

G

Y

Y

T

V

H

H

L

L

D

D

R

R

A

A

L

L

T

N

binding magnesium ion: I61 (≠ L62), D62 (≠ E63)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G14), K17 (≠ S17), G18 (= G18), I19 (= I19), S38 (≠ A38), R39 (= R39), I61 (≠ L62), D62 (≠ E63), L63 (= L64), N89 (= N90), A90 (= A91), G91 (= G92), T92 (≠ V93), N112 (≠ R112), I138 (≠ V138), V139 (≠ S139), S140 (= S140), Y153 (= Y153), K157 (= K157), P183 (= P183), A184 (= A184), E185 (= E185), V186 (= V186), T188 (= T188), L190 (= L190), Y191 (= Y191)

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)
35% identity, 98% coverage: 3:254/258 of query aligns to 1:245/251 of H9XP47

query
sites
H9XP47

L

M

N

R

L

F

Q

D

D

N

K

K

V

V

I

V

V

I

T

T

G

G

G

A

A

G

S
x
N

G

G

I
x
M

G

G

A

E

A

A

I

A

S

A

L

R

Q

R

L

F

A

S

A

A

E

E

G

G

A

A

I

I

P

-

V

V

F

L

A

A

R
x
D

S

W

A

A

P

K

E

E

S

A

Q

V

F

-

W

-

E

D

R

K

L

V

T

A

A

A

V

S

Q

L

P

P

-

K

-

G

R

R

A

A

A

M

L

A

F

V

Q

H

L

I

E
x
D

L
x
V

Q

S

D

D

D

H

A

V

R

A

C

V

R

E

E

K

A

M

V

M

A

N

G

E

T

V

I

A

E

E

R

K

F

L

G

G

R

R

L

I

D

D

G

V

L

L

V

L

N

N

N
|
N

A

A

G

G

V

V

N

H

-

V

-

A

D

G

S

S

V

V

G

-

L

L

E

E

A

T

G

S

R

I

D

D

E

D

F

W

V

R

A

R

S

I

L

A

E

G

R

V

N

D

L

I

I

D

H

G

Y

V

V

F

M

C

A

S

H

K

Y

F

C

A

V

L

P

P

H

H

L

L

K

L

A

K

T

T

R

K

G

G

A

C

I

I

I

V

N

N

V

T

S

A

S
|
S

K
x
V

T
x
S

A

G

V

L

T

G

G

G

Q

D

G

W

N

G

T

A

S

A

G

Y

Y
|
Y

C

C

A

A

S

A

K
|
K

G

G

A

A

Q

V

L

V

S

N

L

L

T

T

R

R

E

A

W

M

A

A

A

L

A

D

L

H

R

G

D

G

D

D

G

G

V

V

R

R

V

I

N

N

A

S

L

V

I

C

P

P

A

S

E

L

V
|
V

M

K

T
|
T

P

N

L

M

Y

T

E

N

K

G

W

W

I

-

A

-

T

-

F

-

D

-

H

-

P

P

Q

Q

E

E

K

I

L
x
R

D
|
D

A
x
K

I

F

T

N

S

E

K

R

I

I

P

A

L

L

G

G

K

-

R

R

F

A

T

A

T

E

S

P

E

E

M

V

A

A

D

A

M

V

A

M

V

A

F

F

L

L

L

A

S

S

E

D

R

D

S

A

S

S

H

F

T

I

T

N

G

G

Q

A

W

N

I

I

F

P

V

V

D

D

G

G

Y

A

T

T

H

A

L

S

D

D

N15 (≠ S17) binding
M17 (≠ I19) binding
D36 (≠ R39) binding
D60 (≠ E63) binding
V61 (≠ L64) binding
N87 (= N90) binding
S138 (= S140) binding ; binding
V139 (≠ K141) mutation to Q: Retains 50% of activity with acetoin as substrate; when associated with A-247.
S140 (≠ T142) binding
Y151 (= Y153) binding ; binding ; binding
K155 (= K157) binding
V184 (= V186) binding
T186 (= T188) binding
RDK 197:199 (≠ LDA 205:207) 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.

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
35% identity, 98% coverage: 5:256/258 of query aligns to 5:249/252 of 6vspB

query
sites
6vspB

L

F

Q

D

D

N

K

K

V

V

I

V

V

I

T

T

G
|
G

G

A

A
x
G

S
x
N

G
|
G

I

M

G

G

A

E

A

A

I

A

S

A

L

R

Q

R

L

F

A

S

A

A

E

E

G

G

A

A

I

I

P

-

V

V

F

L

A

A

R
x
D

S
x
W

A

A

P

K

E

E

S

A

Q

V

F

-

W

-

E

D

R

K

L

V

T

A

A

A

V

S

Q

L

P

P

-

K

-

G

R

R

A

A

A

M

L

A

F

V

Q

H

L
x
I

E
x
D

L
x
V

Q

S

D

D

D

H

A

V

R

A

C

V

R

E

E

K

A

M

V

M

A

N

G

E

T

V

I

A

E

E

R

K

F

L

G

G

R

R

L

I

D

D

G

V

L

L

V

L

N

N

A
|
A

G
|
G

V

V

N

H

-

V

-

A

D

G

S

S

V

V

G

-

L

L

E

E

A

T

G

S

R

I

D

D

E

D

F

W

V

R

A

R

S

I

L

A

E

G

R
x
V

N

D

L

I

I

D

H

G

Y

V

V

F

M

C

A

S

H

K

Y

F

C

A

V

L

P

P

H

H

L

L

K

L

A

K

T

T

R

K

G

G

A

C

I

I

I

V

N

N

V

T

S

A

S
|
S

K

V

T

S

A

G

V

L

T

G

G

G

Q

D

G

W

N

G

T

A

S

A

G

Y

Y
|
Y

C

C

A

A

S

A

K

K

G

G

A

A

Q

V

L

V

S

N

L

L

T

T

R

R

E

A

W

M

A

A

A

L

A

D

L

H

R

G

D

G

D

D

G

G

V

V

R

R

V

I

N

N

A

S

L

V

I

C

P

P

A

S

E

L

V

V

M

K

T

T

P

N

L

M

Y

T

E

N

K

G

W

W

I

-

A

-

T

-

F

-

D

-

H

-

P

P

Q

Q

E

E

K

I

L

R

D

D

A

K

I

F

T

N

S

E

K

R

I

I

P

A

L

L

G

G

K

-

R

R

F

A

T

A

T

E

S

P

E

E

M

V

A

A

D

A

M

V

A

M

V

A

F

F

L

L

L

A

S

S

E

D

R

D

S

A

S

S

H

F

T

I

T

N

G

G

Q

A

W

N

I

I

F

P

V

V

D

D

G

G

Y

A

T

T

H

A

L

S

D

D

R

G

A

A

active site: G18 (= G18), S140 (= S140), Y153 (= Y153)
binding adenosine-5'-diphosphate: G14 (= G14), G16 (≠ A16), N17 (≠ S17), D38 (≠ R39), W39 (≠ S40), I61 (≠ L62), D62 (≠ E63), V63 (≠ L64), A90 (= A91), G91 (= G92), V112 (≠ R112)

6vspA Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
35% identity, 98% coverage: 5:256/258 of query aligns to 3:247/251 of 6vspA

query
sites
6vspA

L

F

Q

D

D

N

K

K

V

V

I

V

V

I

T

T

G
|
G

G

A

A
x
G

S
x
N

G
|
G

I
x
M

G

G

A

E

A

A

I

A

S

A

L

R

Q

R

L

F

A

S

A

A

E

E

G

G

A

A

I

I

P

-

V

V

F

L

A

A

R
x
D

S
x
W

A
|
A

P

K

E

E

S

A

Q

V

F

-

W

-

E

D

R

K

L

V

T

A

A

A

V

S

Q

L

P

P

-

K

-

G

R

R

A

A

A

M

L

A

F

V

Q

H

L
x
I

E
x
D

L
x
V

Q

S

D

D

D

H

A

V

R

A

C

V

R

E

E

K

A

M

V

M

A

N

G

E

T

V

I

A

E

E

R

K

F

L

G

G

R

R

L

I

D

D

G

V

L

L

V

L

N

N

N
|
N

A
|
A

G
|
G

V
|
V

N

H

-

V

-

A

D

G

S

S

V

V

G

-

L

L

E

E

A

T

G

S

R

I

D

D

E

D

F

W

V

R

A

R

S

I

L

A

E

G

R
x
V

N

D

L

I

I

D

H

G

Y

V

V

F

M

C

A

S

H

K

Y

F

C

A

V

L

P

P

H

H

L

L

K

L

A

K

T

T

R

K

G

G

A

C

I

I

I

V

N

N

V
x
T

S
x
A

S
|
S

K

V

T

S

A

G

V

L

T

G

G

G

Q

D

G

W

N

G

T

A

S

A

G

Y

Y
|
Y

C

C

A

A

S

A

K
|
K

G

G

A

A

Q

V

L

V

S

N

L

L

T

T

R

R

E

A

W

M

A

A

A

L

A

D

L

H

R

G

D

G

D

D

G

G

V

V

R

R

V

I

N

N

A

S

L

V

I

C

P
|
P

A
x
S

E
x
L

V
|
V

M

K

T
|
T

P
x
N

L
x
M

Y
x
T

E
x
N

K

G

W

W

I

-

A

-

T

-

F

-

D

-

H

-

P

P

Q

Q

E

E

K

I

L

R

D

D

A

K

I

F

T

N

S

E

K

R

I

I

P

A

L

L

G

G

K

-

R

R

F

A

T

A

T

E

S

P

E

E

M

V

A

A

D

A

M

V

A

M

V

A

F

F

L

L

L

A

S

S

E

D

R

D

S

A

S

S

H

F

T

I

T

N

G

G

Q

A

W

N

I

I

F

P

V

V

D

D

G

G

Y

A

T

T

H

A

L

S

D

D

R

G

A

A

active site: G16 (= G18), S138 (= S140), Y151 (= Y153)
binding nicotinamide-adenine-dinucleotide: G12 (= G14), G14 (≠ A16), N15 (≠ S17), G16 (= G18), M17 (≠ I19), D36 (≠ R39), W37 (≠ S40), W37 (≠ S40), A38 (= A41), I59 (≠ L62), D60 (≠ E63), V61 (≠ L64), N87 (= N90), A88 (= A91), G89 (= G92), V90 (= V93), V110 (≠ R112), T136 (≠ V138), A137 (≠ S139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), S182 (≠ A184), L183 (≠ E185), V184 (= V186), T186 (= T188), N187 (≠ P189), N187 (≠ P189), M188 (≠ L190), T189 (≠ Y191), N190 (≠ E192)

6xewA Structure of serratia marcescens 2,3-butanediol dehydrogenase (see paper)
35% identity, 97% coverage: 5:254/258 of query aligns to 3:245/251 of 6xewA

query
sites
6xewA

L

F

Q

D

D

N

K

K

V

V

I

V

V

I

T

T

G
|
G

G

A

A
x
G

S
x
N

G
|
G

I
x
M

G

G

A

E

A

A

I

A

S

A

L

R

Q

R

L

F

A

S

A

A

E

E

G

G

A

A

I

I

P

-

V

V

F

L

A

A

R
x
D

S
x
W

A
|
A

P

K

E

E

S

A

Q

V

F

-

W

-

E

D

R

K

L

V

T

A

A

A

V

S

Q

L

P

P

-

K

-

G

R

R

A

A

A

M

L

A

F

V

Q

H

L
x
I

E
x
D

L
x
V

Q

S

D

D

D

H

A

V

R

A

C

V

R

E

E

K

A

M

V

M

A

N

G

E

T

V

I

A

E

E

R

K

F

L

G

G

R

R

L

I

D

D

G

V

L

L

V

L

N

N

N
|
N

A
|
A

G
|
G

V
|
V

N

H

-

V

-

A

D

G

S

S

V

V

G

-

L

L

E

E

A

T

G

S

R

I

D

D

E

D

F

W

V

R

A

R

S

I

L

A

E

G

R
x
V

N

D

L

I

I

D

H

G

Y

V

V

F

M

C

A

S

H

K

Y

F

C

A

V

L

P

P

H

H

L

L

K

L

A

K

T

T

R

K

G

G

A

C

I

I

I

V

N

N

V
x
T

S
x
A

S
|
S

K

V

T
x
S

A

G

V

L

T

G

G

G

Q

D

G

W

N

G

T

A

S

A

G

Y

Y
|
Y

C

C

A

A

S

A

K
|
K

G

G

A

A

Q

V

L

V

S

N

L

L

T

T

R

R

E

A

W

M

A

A

A

L

A

D

L

H

R

G

D

G

D

D

G

G

V

V

R

R

V

I

N

N

A

S

L

V

I

C

P
|
P

A
x
S

E
x
L

V
|
V

M

K

T
|
T

P
x
N

L
x
M

Y
x
T

E

N

K

G

W
|
W

I

-

A

-

T

-

F

-

D

-

H

-

P

P

Q

Q

E

E

K

I

L

R

D

D

A

K

I

F

T

N

S

E

K

R

I

I

P

A

L

L

G

G

K

-

R

R

F

A

T

A

T

E

S

P

E

E

M

V

A

A

D

A

M

V

A

M

V

A

F

F

L

L

L

A

S

S

E

D

R

D

S

A

S

S

H

F

T

I

T

N

G

G

Q

A

W

N

I

I

F

P

V

V

D

D

G

G

Y

A

T

T

H

A

L

S

D

D

active site: G16 (= G18), S138 (= S140), Y151 (= Y153)
binding r,3-hydroxybutan-2-one: S138 (= S140), S140 (≠ T142), Y151 (= Y153), S182 (≠ A184), L183 (≠ E185), M188 (≠ L190), W192 (= W194)
binding s,3-hydroxybutan-2-one: S138 (= S140), S140 (≠ T142), Y151 (= Y153), P181 (= P183), S182 (≠ A184), L183 (≠ E185), W192 (= W194)
binding nicotinamide-adenine-dinucleotide: G12 (= G14), G14 (≠ A16), N15 (≠ S17), G16 (= G18), M17 (≠ I19), D36 (≠ R39), W37 (≠ S40), W37 (≠ S40), A38 (= A41), A38 (= A41), I59 (≠ L62), D60 (≠ E63), V61 (≠ L64), N87 (= N90), A88 (= A91), G89 (= G92), V90 (= V93), V110 (≠ R112), T136 (≠ V138), A137 (≠ S139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), S182 (≠ A184), L183 (≠ E185), V184 (= V186), T186 (= T188), N187 (≠ P189), N187 (≠ P189), M188 (≠ L190), T189 (≠ Y191)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
37% identity, 97% coverage: 3:251/258 of query aligns to 2:250/252 of 1vl8B

query
sites
1vl8B

L

F

N

D

L

L

Q

R

D

G

K

R

V

V

V

A

I

L

V

V

T

T

G
|
G

G

G

A
x
S

S
x
R

G
|
G

I
x
L

G

G

A

F

A

G

I

I

S

A

L

Q

Q

G

L

L

A

A

A

E

E

A

G

G

A

C

I

S

P

V

V

V

F

A

A
x
S

R
|
R

S
x
N

A

L

P

E

E

E

-

A

S

S

Q

E

F

A

W

A

E

Q

R

K

L

L

T

T

-

E

-

K

-

Y

A

G

V

V

Q

E

P

T

R

M

A

A

A

-

L

-

F

F

Q

R

L
x
C

E
x
D

L
x
V

Q

S

D

N

D

Y

A

E

R

E

C

V

R

K

E

K

A

L

V

L

A

E

G

A

T

V

I

K

E

E

R

K

F

F

G

G

R

K

L

L

D

D

G

T

L

V

V

V

N

N

N
x
A

A
|
A

G
|
G

V
x
I

N

N

D

R

S

R

-

H

V

P

G

A

L

E

E

E

A

F

G

P

R

L

D

D

E

E

F

F

V

R

A

Q

S

V

L

I

E

E

R
x
V

N

N

L

L

I

F

H

G

Y

T

Y

Y

V

Y

M

V

A

C

H

R

Y

E

C

A

V

F

P

S

H

L

L

L

K

R

A

E

T

S

R

D

G

N

-

P

A

S

I

I

N

N

V
x
I

S
x
G

S
|
S

K

L

T

T

A

V

-

E

V

V

T

T

G

-

Q

M

G

P

N

N

T
x
I

S

S

G

A

Y
|
Y

C

A

A

A

S

S

K
|
K

G

G

A

G

Q

V

L

A

S

S

L

L

T

T

R

K

E

A

W

L

A

A

A

K

A

E

L

W

R

G

D

R

D

Y

G

G

V

I

R

R

V

V

N

N

A

V

L

I

I

A

P
|
P

A
x
G

E
x
W

V
x
Y

M

R

T
|
T

P
x
K

L
x
M

Y
x
T

E

E

K

-

W

-

I

-

A

A

T

V

F

F

D

S

H

D

P

P

Q

-

E

E

K

K

L

L

D

D

A

Y

I

M

T

L

S

K

K

R

I

I

P

P

L

L

G

G

K

-

R

R

F

T

T

G

T

V

S

P

E

E

E

D

M

L

A

K

D

G

M

V

A

A

V

V

F

F

L

L

L

A

S

S

E

E

R

E

S

A

S

K

H

Y

T

V

T

T

G

G

Q

Q

W

I

I

I

F

F

V

V

D

D

G

G

Y

W

T

T

active site: G17 (= G18), S143 (= S140), I154 (≠ T150), Y157 (= Y153), K161 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), S15 (≠ A16), R16 (≠ S17), G17 (= G18), L18 (≠ I19), S37 (≠ A38), R38 (= R39), N39 (≠ S40), C63 (≠ L62), D64 (≠ E63), V65 (≠ L64), A91 (≠ N90), A92 (= A91), G93 (= G92), I94 (≠ V93), V114 (≠ R112), I141 (≠ V138), G142 (≠ S139), S143 (= S140), Y157 (= Y153), K161 (= K157), P187 (= P183), G188 (≠ A184), W189 (≠ E185), Y190 (≠ V186), T192 (= T188), K193 (≠ P189), M194 (≠ L190), T195 (≠ Y191)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
33% identity, 97% coverage: 3:251/258 of query aligns to 3:253/255 of 5itvA

query
sites
5itvA

L

M

N

N

L

L

Q

T

D

D

K

K

V

T

V

V

I

L

V

I

T

T

G
|
G

G

G

A
|
A

S
|
S

G
|
G

I
|
I

G

G

A

Y

A

A

I

A

S

V

L

Q

Q

A

L

F

A

L

A

G

E

Q

G

Q

A

A

I

N

P

V

V

V

F

A

A
x
D

R
x
I

S

D

A

E

P

A

E

Q

S

G

Q

E

F

A

W

M

E

V

R

R

L

-

T

K

A

E

V

N

Q

N

P

D

R

R

A

L

A

H

L

F

F

V

Q

Q

L
x
T

E
x
D

L
x
I

Q

T

D

D

D

E

A

A

R

A

C

C

R

Q

E

H

A

A

V

V

A

E

G

S

T

A

I

V

E

H

R

T

F

F

G

G

R

G

L

L

D

D

G

V

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N

E

D

I

S

V

V

A

G

P

L

I

-

H

E

E

A

M

G

E

R

L

D

S

E

D

F

W

V

N

A

K

S

V

L

L

E

Q

R
x
V

N

N

L

L

I

T

H

G

Y

M

Y

F

V

L

M

M

A

S

H

K

Y

H

C

A

V

L

P

K

H

H

-

M

L

L

K

A

A

A

T

G

R

K

G

G

A

N

I

I

N

N

V
x
T

S
x
C

S
|
S

K

V

T

G

A

G

V

L

T

V

G

A

Q

W

G

P

N

D

T

I

S

P

G

A

Y
|
Y

C

N

A

A

S

S

K
|
K

G

G

A

G

Q

V

L

L

S

Q

L

L

T

T

R

K

E

S

W

M

A

A

A

V

A

D

L

Y

R

A

D

K

D

H

G

Q

V

I

R

R

V

V

N

N

A

C

L

V

I

C

P
|
P

A
x
G

E
x
I

V
x
I

M

D

T
|
T

P

P

L
|
L

Y
x
N

E

E

K

K

-

S

W

F

I

L

A

E

T

N

F

N

D

E

H

G

P

T

Q

L

E

E

K

E

L

I

D

K

A

K

I

E

T

K

S

A

K

K

I

V

P

N

L

P

G

L

K

L

R

R

F

L

T

G

T

K

S

P

E

E

M

I

A

A

D

N

M

V

A

M

V

L

F

F

L

L

L

A

S

S

E

D

R

L

S

S

H

Y

T

M

T

T

G

G

Q

S

W

A

I

I

F

T

V

A

D

D

G

G

Y

Y

T

T

active site: G18 (= G18), S141 (= S140), Y154 (= Y153), K158 (= K157)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), A16 (= A16), S17 (= S17), G18 (= G18), I19 (= I19), D38 (≠ A38), I39 (≠ R39), T61 (≠ L62), D62 (≠ E63), I63 (≠ L64), N89 (= N90), A90 (= A91), G91 (= G92), I92 (≠ V93), V112 (≠ R112), T139 (≠ V138), C140 (≠ S139), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (≠ A184), I186 (≠ E185), I187 (≠ V186), T189 (= T188), L191 (= L190), N192 (≠ Y191)

4qecA Elxo with NADP bound (see paper)
30% identity, 94% coverage: 8:250/258 of query aligns to 3:245/248 of 4qecA

query
sites
4qecA

K

K

V

N

V

V

I

L

V

I

T

T

G
|
G

G

G

A

F

S
x
K

G
|
G

I
|
I

G

G

A

K

A

Q

I

V

S

A

L

L

Q

E

L

F

A

L

A

K

E

N

G

D

A

Y

I

H

P

V

V

C

V

I

F

T

A
x
S

R
|
R

S
x
Y

-

F

A

E

P
x
K

E

E

S

K

Q

R

F

I

W

P

E

H

R

L

L

F

T

S

A

S

V

Y

Q

E

P

E

R

N

A

I

A

S

L

F

F

Y

Q

Q

L
|
L

E
x
D

L
x
V

Q

T

D

D

D

E

A

E

R

Q

C

V

R

N

E

E

A

I

V

I

A

N

G

K

T

I

I

V

E

K

R

K

F

F

G

G

R

R

L

L

D

D

G

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N

S

D

L

S

S

V

D

G

G

L

L

-

L

-

T

E

E

A

T

G

K

R

T

D

T

E

D

F

F

V

N

A

K

S

M

L

I

E

N

R
x
T

N
|
N

L

I

I

L

H

G

Y

T

Y

Y

V

F

M

C

A

M

H

K

Y

Y

C

A

V

L

P

K

H

H

L

M

-

Q

K

K

A

V

T

S

R

C

G

G

A

A

I

I

I

V

N

N

V
x
I

S
|
S

K

I

T

T

A

G

V

L

T

S

G

G

Q

F

G

P

N

Y

T

S

S

I

G

L

Y
|
Y

C

G

A

S

S

T

K
|
K

G

H

A

A

Q

V

L

I

S

G

L

L

T

T

R

K

E

G

W

A

A

A

A

V

A

E

L

F

R

A

D

D

D

K

G

G

V

I

R

K

V

I

N

N

A

A

L

V

I

A

P
|
P

A
x
G

E
x
I

V
x
I

M

K

T
|
T

P

E

L

T

Y

L

E

Q

K

K

W

E

I

I

A

-

T

-

F

-

D

D

H

S

P

G

Q

E

E

F

K

S

L

E

D

D

A

S

I

I

T

S

S

S

K

I

I

H

P

P

L

M

G

-

K

Q

R

K

F

L

T

G

T

T

S

T

E

L

E

D

M

V

A

A

D

K

M

G

A

I

V

Y

F

F

L

L

L

A

S

N

E

E

R

D

S

N

H

F

T

I

T

T

G

G

Q

H

W

V

I

L

F

S

V

I

D

D

G

G

Y

Y

active site: G13 (= G18), N111 (= N113), S139 (= S140), Y152 (= Y153), K156 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G14), K12 (≠ S17), G13 (= G18), I14 (= I19), S33 (≠ A38), R34 (= R39), Y35 (≠ S40), K38 (≠ P42), L58 (= L62), D59 (≠ E63), V60 (≠ L64), N86 (= N90), A87 (= A91), G88 (= G92), I89 (≠ V93), T110 (≠ R112), I137 (≠ V138), S138 (= S139), S139 (= S140), Y152 (= Y153), K156 (= K157), P182 (= P183), G183 (≠ A184), I184 (≠ E185), I185 (≠ V186), T187 (= T188)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
33% identity, 96% coverage: 3:249/258 of query aligns to 1:244/247 of 4jroC

query
sites
4jroC

L

M

N

T

L

L

Q

Q

D

G

K

K

V

V

V

A

I

V

V

V

T

T

G
|
G

G

G

A
x
S

S
x
R

G
|
G

I
|
I

G

G

A

R

A

D

I

I

S

A

L

I

Q

N

L

L

A

A

A

K

E

E

G

G

A

A

I

N

P

I

V

F

F
x
N

A
x
Y

R
x
N

S
x
G

A
x
S

P

P

E

E

S

A

Q

A

-

E

-

T

-

A

-

K

-

L

F

V

W

A

E

E

R

H

L

G

T

V

A

E

V

V

Q

E

P

A

R

M

A

K

A
|
A

L
x
N

F
x
V

Q

A

L

I

E

A

L

E

Q

D

D

V

D

D

A

A

R

F

C

F

R

K

E

Q

A

A

V

-

A

-

G

-

T

-

I

I

E

E

R

R

F

F

G

G

R

R

L

V

D

D

G

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

N

T

-

R

D

D

S

N

V

L

G

L

L

M

E

R

A

M

G

K

R

E

D

D

E

E

F

W

V

D

A

D

S

V

L

I

E

N

R
x
I

N

N

L

L

I

K

H

G

Y

T

Y

F

V

L

M

C

A

T

H

K

Y

A

C

V

V

S

P

R

H

T

L

M

K

M

A

K

T

Q

R

R

-

A

G

G

A

K

I

I

N

N

V

M

S
x
A

S
|
S

K

V

T

V

A

G

V

L

T

I

G

G

Q

N

G

A

N

G

T
x
Q

S

A

G

N

Y
|
Y

C

V

A

A

S

S

K
|
K

G

A

A

G

Q

V

L

I

S

G

L

L

T

T

R

K

E

T

W

T

A

A

A

R

A

E

L

L

R

A

D

P

D

R

G

G

V

I

R

N

V

V

N

N

A

A

L

V

I

A

P
|
P

A
x
G

E

F

V
x
I

M

T

T
|
T

P

D

L

M

Y

T

E

D

K

K

W

L

I

-

A

-

T

-

F

-

D

-

H

-

P

D

Q

E

E

K

K

T

L

K

D

E

A

A

I

M

T

L

S

A

K

Q

I

I

P

P

L

L

G

G

K

A

R

-

F

Y

T

G

T

T

S

T

E

E

E

D

M

I

A

A

D

N

M

A

A

V

V

L

F

F

L

L

L

A

S

S

E

D

R

A

S

S

S

K

H

Y

T

I

T

T

G

G

Q

Q

W

T

I

L

F

S

V

V

D

D

G

G

active site: G16 (= G18), S142 (= S140), Q152 (≠ T150), Y155 (= Y153), K159 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (≠ A16), R15 (≠ S17), G16 (= G18), I17 (= I19), N35 (≠ F37), Y36 (≠ A38), N37 (≠ R39), G38 (≠ S40), S39 (≠ A41), A62 (= A58), N63 (≠ L59), V64 (≠ F60), N90 (= N90), A91 (= A91), G92 (= G92), I93 (≠ V93), I113 (≠ R112), A141 (≠ S139), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (≠ A184), I188 (≠ V186), T190 (= T188)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
33% identity, 96% coverage: 5:251/258 of query aligns to 5:259/261 of 6zzsD

query
sites
6zzsD

L

L

Q

D

D

G

K

K

V

V

V

A

I

F

V

I

T

T

G
|
G

G

S

A

A

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

S

A

L

K

Q

K

L

F

A

A

A

Q

E

E

G

G

A

A

I

K

P

V

V

V

V

I

F

S

A
x
D

R
x
M

S

N

A

A

P

E

E

K

S

C

Q

Q

F

E

W

T

E

A

R

N

L

S

T

L

A

K

V

E

Q

Q

P

G

R

F

A

D

A

A

L

L

F

S

Q

A

-

P

L
x
C

E
x
D

L
x
V

Q

T

D

D

D

E

A

D

R

A

C

Y

R

K

E

Q

A

A

V

I

A

E

G

L

T

T

I

Q

E

K

R

T

F

F

G

G

R

T

L

V

D

D

G

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

V
x
F

N
x
Q

D

H

S

V

V

A

G

P

L

I

E

E

A

-

G

-

R

-

D

-

E

E

F

F

V

P

A

T

S

A

L

V

E

F

R

Q

N

K

L

L

I

V

H

Q

Y
x
V

-

M

-

L

-

T

-

G

-

A

Y

F

V

I

M

G

A

I

H

K

Y

H

C

V

V

L

P

P

H

I

L

M

K

K

A

A

T

Q

R

K

-

Y

G

G

A

R

I

I

N

N

V
x
M

S
x
A

S
|
S

K

I

T
x
N

A

G

V

L

T

I

G

G

Q

F

G

A

N

G

T
x
K

S

A

G

G

Y
|
Y

C

N

A

S

S

A

K
|
K

G

H

A

G

Q

V

L

I

S

G

L

L

T

T

R

K

E

V

W

A

A

A

A

L

A

E

L

C

R

A

D

R

D

D

G

G

V

I

R

T

V

V

N

N

A

A

L

L

I

C

P
|
P

A
x
G

E
x
Y

V
|
V

M

D

T
|
T

P

P

L
|
L

Y
x
V

E

R

K

G

W
x
Q

I

I

A

A

-

D

-

L

-

A

-

K

-

T

-

R

-

N

-

V

T

S

F

L

D

D

H

S

P

A

Q

L

E

E

K

-

L

-

D

D

A

V

I

I

T

L

S

A

K

M

I

V

P

P

L

Q

G

-

K

K

R

R

F

L

T

L

T

S

S

V

E

E

M

I

A

A

D

D

M

Y

A

A

V

I

F

F

L

L

L

A

S

S

E

S

R

K

S

A

S

G

H

G

T

V

T

T

G

G

Q

Q

W

A

I

V

F

V

V

M

D

D

G

G

Y

Y

T

T

active site: G18 (= G18), S143 (= S140), Y156 (= Y153)
binding nicotinamide-adenine-dinucleotide: G14 (= G14), S17 (= S17), G18 (= G18), I19 (= I19), D38 (≠ A38), M39 (≠ R39), C63 (≠ L62), D64 (≠ E63), V65 (≠ L64), N91 (= N90), A92 (= A91), G93 (= G92), F94 (≠ V93), V114 (≠ Y117), M141 (≠ V138), A142 (≠ S139), S143 (= S140), Y156 (= Y153), K160 (= K157), P186 (= P183), G187 (≠ A184), Y188 (≠ E185), V189 (= V186), T191 (= T188), L193 (= L190), V194 (≠ Y191)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ N94), S143 (= S140), N145 (≠ T142), K153 (≠ T150), Y156 (= Y153), L193 (= L190), Q197 (≠ W194)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
33% identity, 96% coverage: 5:251/258 of query aligns to 4:258/260 of 6zzqA

query
sites
6zzqA

L

L

Q

D

D

G

K

K

V

V

V

A

I

F

V

I

T

T

G
|
G

G

S

A

A

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

S

A

L

K

Q

K

L

F

A

A

A

Q

E

E

G

G

A

A

I

K

P

V

V

V

V

I

F

S

A
x
D

R
x
M

S

N

A

A

P

E

E

K

S

C

Q

Q

F

E

W

T

E

A

R

N

L

S

T

L

A

K

V

E

Q

Q

P

G

R

F

A

D

A

A

L

L

F

S

Q

A

-

P

L
x
C

E
x
D

L
x
V

Q

T

D

D

D

E

A

D

R

A

C

Y

R

K

E

Q

A

A

V

I

A

E

G

L

T

T

I

Q

E

K

R

T

F

F

G

G

R

T

L

V

D

D

G

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

V
x
F

N
x
Q

D

H

S

V

V

A

G

P

L

I

E

E

A

-

G

-

R

-

D

-

E

E

F

F

V

P

A

T

S

A

L

V

E

F

R

Q

N
x
K

L

L

I

V

H

Q

Y
x
V

-

M

-

L

-

T

-

G

-

A

Y

F

V

I

M

G

A

I

H

K

Y

H

C

V

V

L

P

P

H

I

L

M

K

K

A

A

T

Q

R

K

-

Y

G

G

A

R

I

I

N

N

V
x
M

S
x
A

S
|
S

K

I

T
x
N

A

G

V

L

T

I

G

G

Q

F

G

A

N

G

T
x
K

S

A

G

G

Y
|
Y

C

N

A

S

S

A

K
|
K

G

H

A

G

Q

V

L

I

S

G

L

L

T

T

R

K

E

V

W

A

A

A

A

L

A

E

L

C

R

A

D

R

D

D

G

G

V

I

R

T

V

V

N

N

A

A

L

L

I

C

P
|
P

A
x
G

E
x
Y

V
|
V

M

D

T
|
T

P

P

L
|
L

Y
x
V

E

R

K

G

W
x
Q

I

I

A

A

-

D

-

L

-

A

-

K

-

T

-

R

-

N

-

V

T

S

F

L

D

D

H

S

P

A

Q

L

E

E

K

-

L

-

D

D

A

V

I

I

T

L

S

A

K

M

I

V

P

P

L

Q

G

-

K

K

R

R

F

L

T

L

T

S

S

V

E

E

M

I

A

A

D

D

M

Y

A

A

V

I

F

F

L

L

L

A

S

S

E

S

R

K

S

A

S

G

H

G

T

V

T

T

G

G

Q

Q

W

A

I

V

F

V

V

M

D

D

G

G

Y

Y

T

T

active site: G17 (= G18), S142 (= S140), Y155 (= Y153)
binding acetoacetic acid: F93 (≠ V93), Q94 (≠ N94), K109 (≠ N113), V113 (≠ Y117), S142 (= S140), N144 (≠ T142), K152 (≠ T150), Y155 (= Y153