SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_017867451.1 NCBI__GCF_000349725.1:WP_017867451.1 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)

Q48436 Diacetyl reductase [(S)-acetoin forming]; Acetoin(diacetyl) reductase; AR; Meso-2,3-butanediol dehydrogenase; EC 1.1.1.304 from Klebsiella pneumoniae (see paper)
47% identity, 99% coverage: 3:257/257 of query aligns to 2:256/256 of Q48436

query
sites
Q48436

K

K

V

V

A

A

V
x
L

V
|
V

T
|
T

G
|
G

S
x
A

A
x
G

G
x
Q

G
|
G

L
x
I

G
|
G

R
x
K

G
x
A

I
|
I

A
|
A

E
x
L

R
|
R

L
|
L

L
x
V

K
|
K

D
|
D

G
|
G

F
|
F

S
x
A

V
|
V

M
x
A

I
|
I

H
x
A

D
|
D

I

Y

N

N

K

D

E

A

A

T

L

A

T

K

K

A

T

V

E

A

S

S

E

E

L

I

K

N

D

Q

L

A

G

G

D

G

V

R

A

A

S

M

F

A

V

V

G

K

-

V

D
|
D

V

V

S

S

K

D

K

R

E

D

D

Q

Q

V

E

F

A

A

L

A

V

V

A

E

A

Q

T

A

V

R

E

K

K

T

F

L

G

G

Q

G

L

F

N

D

V

V

F

I

V

V

N

N

A

A

G

G

V

V

E

A

A

P

V

S

T

T

P

P

F

I

M

E

D

S

I

I

D

T

D

P

K

E

E

I

L

V

E

D

R

K

T

V

F

Y

K

N

I

I

N

N

V

V

F

K

G

G

T

V

V

I

Y

W

G

G

T

I

Q

Q

A

A

A

V

A

E

Q

A

F

F

I

K

K

K

Q

E

G

G

T

H

S

G

G

G

K

K

I

I

N

N

A

A

C

C

S

S

I

Q

A

A

G

G

H

H

E

V

A

G

Y

N

E

P

V

E

L

L

G

A

T

V

Y

Y

S

S

A

S

S

S

K
|
K

H

F

A

A

V

V

K

R

A

G

F

L

T

T

H

Q

V

T

A

A

K

R

E

D

L

L

A

A

S

P

K

L

H

G

I

I

T

T

V

V

N

N

A

G

Y

Y

C

C

P

P

G

G

V

I

A

V

K

K

T

T

K

P

M

M

W

W

D

A

R

E

I

I

D

D

E

R

E

Q

M

V

V

S

K

E

A

A

D

-

P

-

S

A

L

G

K

K

P

P

-

L

G

G

E

Y

P

G

F

T

A

A

K

E

F

F

S

A

G

K

E

R

I

I

A

T

L

L

G

G

R

R

Y

L

E

S

T

E

P

P

T

E

D

D

V

V

A

A

N

A

L

C

V

V

H

S

F

Y

L

L

A

A

S

S

E

P

D

D

S

S

D

D

Y

Y

I

M

T

T

G

G

Q

Q

A

S

I

L

L

L

V

I

D

D

G

G

L

M

V

V

Y

F

N

N

6:33 (vs. 7:34, 57% identical) binding NAD(+)
D59 (= D59) binding NAD(+)
K156 (= K156) binding NAD(+)

1gegE Cryatal structure analysis of meso-2,3-butanediol dehydrogenase (see paper)
47% identity, 99% coverage: 3:257/257 of query aligns to 2:256/256 of 1gegE

query
sites
1gegE

K

K

V

V

A

A

V

L

V

V

T

T

G
|
G

S

A

A

G

G
x
Q

G
|
G

L
x
I

G

G

R

K

G

A

I

I

A

A

E

L

R

R

L

L

L

V

K

K

D

D

G

G

F

F

S

A

V

V

M

A

I

I

H

A

D
|
D

I
x
Y

N

N

K

D

E

A

A

T

L

A

T

K

K

A

T

V

E

A

S

S

E

E

L

I

K

N

D

Q

L

A

G

G

D

G

V

H

A

A

S

V

F

A

V

V

G

K

-
x
V

D
|
D

V
|
V

S

S

K

D

K
x
R

E
x
D

D

Q

Q

V

E
x
F

A

A

L

A

V

V

A

E

A

Q

T

A

V

R

E

K

K

T

F

L

G

G

Q

G

L

F

N

D

V

V

F

I

V

V

N

N

N
|
N

A
|
A

G

G

V

V

E

A

A

P

V

S

T

T

P

P

F

I

M

E

D

S

I

I

D

T

D

P

K

E

E

I

L

V

E

D

R

K

T

V

F

Y

K

N

I
|
I

N

N

V

V

F

K

G

G

T

V

V

I

Y

W

G

G

T

I

Q

Q

A

A

A

V

A
x
E

Q

A

F

F

I

K

K

K

Q

E

G

G

T

H

S

G

G

G

K

K

I

I

N

N

A

A

C

C

S
|
S

I

Q

A

A

G

G

H

H

E

V

A

G

Y

N

E

P

V

E

L

L

G

A

T

V

Y
|
Y

S

S

A

S

S

S

K
|
K

H

F

A

A

V

V

K

R

A

G

F

L

T

T

H

Q

V

T

A

A

K

R

E

D

L

L

A

A

S

P

K

L

H

G

I

I

T

T

V

V

N

N

A

G

Y

Y

C

C

P
|
P

G

G

V

I

A
x
V

K

K

T
|
T

K

P

M
|
M

W

W

D

A

R

E

I

I

D

D

E

R

E

Q

M
x
V

V

S

K

E

A

A

D

-

P

-

S

A

L

G

K

K

P

P

-

L

G

G

E

Y

P

G

F

T

A

A

K

E

F

F

S

A

G

K

E

R

I

I

A

T

L

L

G

G

R

R

Y

L

E

S

T

E

P

P

T

E

D

D

V

V

A

A

N

A

L

C

V

V

H

S

F

Y

L

L

A

A

S

S

E

P

D

D

S

S

D

D

Y

Y

I

M

T

T

G

G

Q

Q

A

S

I

L

L

L

V

I

D

D

G

G

L

M

V

V

Y

F

N

N

active site: G13 (= G14), S139 (= S139), Y152 (= Y152), K156 (= K156), V197 (≠ M197)
binding alpha-D-glucopyranose: R63 (≠ K63), D64 (≠ E64), F67 (≠ E67), E123 (≠ A123)
binding nicotinamide-adenine-dinucleotide: G9 (= G10), Q12 (≠ G13), I14 (≠ L15), D33 (= D34), Y34 (≠ I35), V58 (vs. gap), D59 (= D59), V60 (= V60), N86 (= N86), A87 (= A87), I109 (= I109), S139 (= S139), Y152 (= Y152), K156 (= K156), P182 (= P182), V185 (≠ A185), T187 (= T187), M189 (= M189)

3wyeA Crystal structure of chimeric engineered (2s,3s)-butanediol dehydrogenase complexed with NAD+
46% identity, 99% coverage: 3:257/257 of query aligns to 1:255/255 of 3wyeA

query
sites
3wyeA

K

K

V

V

A

A

V

L

V

V

T

T

G
|
G

S

A

A

G

G
x
Q

G
|
G

L
x
I

G

G

R

K

G

A

I

I

A

A

E

L

R

R

L

L

L

V

K

K

D

D

G

G

F

F

S

A

V

V

M

A

I

I

H

A

D
|
D

I
x
Y

N

N

K

D

E

A

A

T

L

A

T

K

K

A

T

V

E

A

S

S

E

E

L

I

K

N

D

Q

L

A

G

G

D

G

V

H

A

A

S

V

F

A

V

V

G

K

-
x
V

D
|
D

V
|
V

S

S

K

D

K

R

E

D

D

Q

Q

V

E

F

A

A

L

A

V

V

A

E

A

Q

T

A

V

R

E

K

K

T

F

L

G

G

Q

G

L

F

N

D

V

V

F

I

V

V

N

N

N
|
N

A
|
A

G

G

V

I

E

A

A

Q

V

I

T

K

P

P

F

L

M

L

D

E

I

V

D

T

D

E

K

E

E

D

L

L

E

K

R

Q

T

I

F

Y

K

S

I

V

N

N

V

V

F

F

G

S

T

V

V

F

Y

F

G

G

T

I

Q

Q

A

A

A

V

A

E

Q

A

F

F

I

K

K

K

Q

E

G

G

T

H

S

G

G

G

K

K

I

I

N

N

A

A

C

A

S
|
S

I

I

A

A

G

A

H

I

E

Q

A

G

Y

F

E

P

V

I

L

L

G

S

T

A

Y
|
Y

S

S

A

T

S

T

K
|
K

H

F

A

A

V

V

K

R

A

G

F

L

T

T

H

Q

V

T

A

A

K

R

E

D

L

L

A

A

S

P

K

L

H

G

I

I

T

T

V

V

N

N

A

G

Y

Y

C

C

P
|
P

G
|
G

V

I

A
x
V

K

G

T
|
T

K

G

M
|
M

W
|
W

D

E

R

Q

I

I

D

D

E

A

E

E

M
x
L

V

S

K

K

A

I

D

N

P

G

S

-

L

-

K

K

P

P

-

I

G

G

E

E

P

N

F

F

A

K

K

E

F

Y

S

S

G

S

E

S

I

I

A

A

L

L

G

G

R

R

Y

P

E

S

T

V

P

P

T

E

D

D

V

V

A

A

N

G

L

L

V

V

H

S

F

F

L

L

A

A

S

S

E

P

D

D

S

S

D

D

Y

Y

I

M

T

T

G

G

Q

Q

A

S

I

L

L

L

V

I

D

D

G

G

L

M

V

V

Y

F

N

N

active site: G12 (= G14), S138 (= S139), Y151 (= Y152), K155 (= K156), L196 (≠ M197)
binding nicotinamide-adenine-dinucleotide: G8 (= G10), Q11 (≠ G13), G12 (= G14), I13 (≠ L15), D32 (= D34), Y33 (≠ I35), V57 (vs. gap), D58 (= D59), V59 (= V60), N85 (= N86), A86 (= A87), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), V184 (≠ A185), T186 (= T187), M188 (= M189), W189 (= W190)

Q9ZNN8 L-2,3-butanediol dehydrogenase; L-BDH; (S,S)-butanediol dehydrogenase; Diacetyl reductase [(S)-acetoin forming]; EC 1.1.1.76; EC 1.1.1.304 from Corynebacterium glutamicum (Brevibacterium saccharolyticum) (see paper)
46% identity, 99% coverage: 4:257/257 of query aligns to 3:258/258 of Q9ZNN8

query
sites
Q9ZNN8

K

K

V

V

A

A

V

M

V

V

T

T

G

G

S

G

A

A

G
x
Q

G
|
G

L
x
I

G

G

R

R

G

G

I

I

A

S

E

E

R

K

L

L

L

A

K

A

D

D

G

G

F

F

S

D

V

I

M

A

I

V

H

A

D
|
D

I

L

N

P

K

Q

E
x
Q

A

E

L

E

T

Q

K

A

T

A

E

E

S

T

-

I

E

K

L

L

K

I

D

E

L

A

G

A

D

D

V

Q

-

K

A

A

S

V

F

F

V

V

G

G

-

L

D
|
D

V
|
V

S

T

K

D

K

K

E

A

D

N

Q

F

E

D

A

S

L

A

V

I

A

D

A

E

T

A

V

A

E

E

K

K

F

L

G

G

Q

G

L

F

N

D

V

V

F

L

V

V

N

N

N
|
N

A

A

G

G

V

I

E

A

A

Q

V

I

T

K

P

P

F

L

M

L

D

E

I

V

D

T

D

E

K

E

E

D

L

L

E

K

R

Q

T

I

F

Y

K

S

I

V

N

N

V

V

F

F

G

S

T

V

V

F

Y

F

G

G

T

I

Q

Q

A

A

A

S

A

R

Q

K

F

F

I

D

K

E

Q

L

G

G

T

V

S

K

G

G

K

K

I

I

N

N

A

A

C

A

S

S

I
|
I

A

A

G

A

H

I

E

Q

A

G

Y
x
F

E

P

V

I

L

L

G

S

T

A

Y
|
Y

S

S

A

T

S

T

K
|
K

H

F

A

A

V

V

K

R

A

G

F

L

T

T

H

Q

V

A

A

A

K

Q

E

E

L

L

A

A

S

P

K

K

H

G

I

H

T

T

V

V

N

N

A

A

Y

Y

C

A

P
|
P

G
|
G

V
x
I

A
x
V

K
x
G

T
|
T

K

G

M

M

W

W

D

E

R

Q

I

I

D

D

E

A

E

E

M

L

V

S

K

K

A

I

D

N

P

G

S

-

L

-

K

K

P

P

-

I

G

G

E

E

P

N

F

F

A

K

K

E

F

Y

S

S

G

S

E

S

I

I

A

A

L

L

G

G

R

R

Y

P

E

S

T

V

P

P

T

E

D

D

V

V

A

A

N

G

L

L

V

V

H

S

F

F

L

L

A

A

S

S

E

E

D

N

S

S

D

N

Y

Y

I

V

T

T

G

G

Q

Q

A

V

I

M

L

L

V

V

D

D

G

G

L

M

V

L

Y

Y

N

N

QGI 12:14 (≠ GGL 13:15) binding NAD(+)
D33 (= D34) binding NAD(+)
Q37 (≠ E38) binding NAD(+)
DV 61:62 (= DV 59:60) binding NAD(+)
N88 (= N86) binding NAD(+)
I142 (= I140) mutation to Q: Loss of L-BD oxidizing activity, and does not gain the ability to use meso-BD as substrate; when associated with N-148.; mutation to Q: Loss of L-BD oxidizing activity. Does not gain the ability to use meso-BD as substrate.
F148 (≠ Y146) mutation to N: Loss of L-BD oxidizing activity, and does not gain the ability to use meso-BD as substrate; when associated with Q-142.; mutation to N: Loss of L-BD oxidizing activity. Does not gain the ability to use meso-BD as substrate.
Y154 (= Y152) binding NAD(+)
K158 (= K156) binding NAD(+)
PGIVGT 184:189 (≠ PGVAKT 182:187) binding NAD(+)

3a28C Crystal structure of l-2,3-butanediol dehydrogenase (see paper)
46% identity, 99% coverage: 4:257/257 of query aligns to 2:257/257 of 3a28C

query
sites
3a28C

K

K

V

V

A

A

V

M

V

V

T

T

G
|
G

S

G

A

A

G
x
Q

G
|
G

L
x
I

G

G

R

R

G

G

I

I

A

S

E

E

R

K

L

L

L

A

K

A

D

D

G

G

F

F

S

D

V

I

M

A

I

V

H

A

D
|
D

I
x
L

N

P

K

Q

E
x
Q

A

E

L

E

T

Q

K

A

T

A

E

E

S

T

-

I

E

K

L

L

K

I

D

E

L

A

G

A

D

D

V

Q

-

K

A

A

S

V

F

F

V

V

G

G

-
x
L

D
|
D

V
|
V

S

T

K

D

K

K

E

A

D

N

Q

F

E

D

A

S

L

A

V

I

A

D

A

E

T

A

V

A

E

E

K

K

F

L

G

G

Q

G

L

F

N

D

V

V

F

L

V

V

N

N

N
|
N

A

A

G

G

V

I

E

A

A

Q

V

I

T

K

P

P

F

L

M

L

D

E

I

V

D

T

D

E

K

E

E

D

L

L

E

K

R

Q

T

I

F

Y

K

S

I

V

N

N

V

V

F

F

G

S

T

V

V

F

Y

F

G

G

T

I

Q

Q

A

A

A

S

A

R

Q

K

F

F

I

D

K

E

Q

L

G

G

T

V

S

K

G

G

K

K

I

I

N

N

A

A

C

A

S
|
S

I

I

A

A

G

A

H

I

E

Q

A

G

Y

F

E

P

V

I

L

L

G

S

T

A

Y
|
Y

S

S

A

T

S

T

K
|
K

H

F

A

A

V

V

K

R

A

G

F

L

T

T

H

Q

V

A

A

A

K

Q

E

E

L

L

A

A

S

P

K

K

H

G

I

H

T

T

V

V

N

N

A

A

Y

Y

C

A

P
|
P

G

G

V

I

A
x
V

K

G

T
|
T

K

G

M
|
M

W
|
W

D

E

R

Q

I

I

D

D

E

A

E

E

M
x
L

V

S

K

K

A

I

D

N

P

G

S

-

L

-

K

K

P

P

-

I

G

G

E

E

P

N

F

F

A

K

K

E

F

Y

S

S

G

S

E

S

I

I

A

A

L

L

G

G

R

R

Y

P

E

S

T

V

P

P

T

E

D

D

V

V

A

A

N

G

L

L

V

V

H

S

F

F

L

L

A

A

S

S

E

E

D

N

S

S

D

N

Y

Y

I

V

T

T

G

G

Q

Q

A

V

I

M

L

L

V

V

D

D

G

G

L

M

V

L

Y

Y

N

N

active site: G12 (= G14), S140 (= S139), Y153 (= Y152), K157 (= K156), L198 (≠ M197)
binding nicotinamide-adenine-dinucleotide: G8 (= G10), Q11 (≠ G13), I13 (≠ L15), D32 (= D34), L33 (≠ I35), Q36 (≠ E38), L59 (vs. gap), D60 (= D59), V61 (= V60), N87 (= N86), S140 (= S139), Y153 (= Y152), K157 (= K156), P183 (= P182), V186 (≠ A185), T188 (= T187), M190 (= M189), W191 (= W190)

6pejA Structure of sorbitol dehydrogenase from sinorhizobium meliloti 1021 bound to sorbitol
39% identity, 97% coverage: 4:253/257 of query aligns to 7:253/257 of 6pejA

query
sites
6pejA

K

K

V

S

A

A

V

L

V

I

T

T

G

G

S

S

A

A

G

R

G
|
G

L

I

G

G

R

R

G

A

I

F

A

A

E

E

R

A

L

Y

L

V

K

R

D

E

G

G

F

A

S

T

V

V

M

A

I

I

H

A

D

D

I

I

N

D

K

I

E

E

A

R

L

A

T

R

K

Q

T

A

E

A

S

A

E

E

L

I

K

-

D

-

L

-

G

G

D

P

V

A

A

A

S

Y

F

A

V

V

G

Q

-

M

D

D

V

V

S

T

K

R

K

Q

E

D

D

S

Q

I

E

D

A

A

L

A

V

I

A

A

T

T

V

V

E

E

K

H

F

A

G

G

Q

G

L

L

N

D

V

I

F

L

V

V

N

N

A

A

G

A

V

L

E

F

A

D

V

L

T

A

P

P

F

I

M

V

D

E

I

I

D

T

D

R

K

E

E

S

L

Y

E

E

R

K

T

L

F

F

K

A

I

I

N

N

V

V

F

A

G

G

T

T

V

L

Y

F

G

T

T

L

Q

Q

A

A

A

R

Q

Q

F

M

I

I

K

A

Q

Q

G

G

T

R

S

G

G

G

K

K

I

I

N

N

A

M

C

A

S
|
S

I
x
Q

A

A

G

G

H

R

E

R

A

G

Y
x
E

E

A

V

L

L

V

G

A

T

I

Y
|
Y

S

C

A

A

S

T

K

K

H

A

A

A

V

V

K

I

A

S

F

L

T

T

H

Q

V

S

A

A

A

G

K

L

E

D

L

L

A

I

S

K

K

H

H

R

I

I

T

N

V

V

N

N

A

A

Y

I

C

A

P

P

G

G

V

V

A

V

K

D

T

G

K

E

M
x
H

W
|
W

D

D

R

G

I

V

D

D

E

A

E

L

M
x
F

V

A

K

R

A

Y

D

E

P

N

S

-

L

-

K

R

P

P

G

R

E

G

P

E

F

K

A

K

K

R

F

L

S

V

G

G

E

E

-

A

I

V

A

P

L

F

G

G

R

R

Y

M

E

G

T

T

P

A

T

E

D

D

V

L

A

T

N

G

L

M

V

A

H

I

F

F

L

L

A

A

S

S

E

A

D

E

S

S

D

D

Y

Y

I

I

T

V

G

S

Q

Q

A

T

I

Y

L

N

V

V

D

D

G

G

active site: G17 (= G14), S140 (= S139), Y153 (= Y152)
binding sorbitol: Q141 (≠ I140), E147 (≠ Y146), H190 (≠ M189), W191 (= W190), F198 (≠ M197)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
37% identity, 98% coverage: 4:255/257 of query aligns to 6:246/247 of 4jroC

query
sites
4jroC

K

K

V

V

A

A

V

V

T

T

G
|
G

S

G

A
x
S

G
x
R

G
|
G

L
x
I

G

G

R

R

G

D

I

I

A

A

E

I

R

N

L

L

L

A

K

K

D

E

G

G

F

A

S

N

V

I

M

F

I

F

-
x
N

H
x
Y

D
x
N

I
x
G

N
x
S

K

P

E

E

A

A

L

A

T

E

K

E

T

T

E

A

S

K

E

L

L

V

K

A

D

E

L

H

G

G

-

V

D

E

V

V

A

E

S

A

F

M

V

K

G

A

D
x
N

V
|
V

S

A

K

I

K

A

E

E

D

D

Q

V

E

D

A

A

L

F

V

F

A

K

A

Q

T

A

V

I

E

E

K

R

F

F

G

G

Q

R

L

V

N

D

V

I

F

L

V

V

N

N

N
|
N

A
|
A

G

G

V
x
I

E

T

A

R

V

D

T

N

P

L

F

L

M

M

D

R

I

M

D

K

D

E

K

D

E

E

L

W

E

D

R

D

T

V

F

I

K

N

I
|
I

N

N

V

L

F

K

G

G

T

T

V

F

Y

L

G

C

T

T

Q

K

A

A

A

V

A

S

A

R

Q

T

F

M

I

M

K

K

Q

Q

G

-

T

R

S

A

G

G

K

K

I

I

N

N

A

M

C

A

S
|
S

I

V

A

V

G

G

H

L

E

I

A

G

Y

N

E

A

V

G

L
x
Q

G

A

T

N

Y
|
Y

S

V

A

A

S

S

K
|
K

H

A

A

G

V

V

K

I

A

G

F

L

T

T

H

K

V

T

A

T

A

A

K

R

E

E

L

L

A

A

S

P

K

R

H

G

I

I

T

N

V

V

N

N

A

A

Y

V

C

A

P
|
P

G

G

V

F

A
x
I

K

T

T
|
T

K

D

M

M

W

T

D

D

R

K

I

L

D

D

E

E

E

K

M

T

V

K

K

E

A

A

D

-

P

-

S

-

L

-

K

-

P

-

G

-

E

-

P

-

F

-

A

-

K

-

F

M

S

L

G

A

E

Q

I

I

A

P

L

L

G

G

R

A

Y

Y

E

G

T

T

P

T

T

E

D

D

V

I

A

A

N

N

L

A

V

V

H

L

F

F

L

L

A

A

S

S

E

D

D

A

S

S

D

K

Y

Y

I

I

T

T

G

G

Q

Q

A

T

I

L

L

S

V

V

D

D

G

G

L

M

V

V

active site: G16 (= G14), S142 (= S139), Q152 (≠ L149), Y155 (= Y152), K159 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G10), S14 (≠ A12), R15 (≠ G13), G16 (= G14), I17 (≠ L15), N35 (vs. gap), Y36 (≠ H33), N37 (≠ D34), G38 (≠ I35), S39 (≠ N36), N63 (≠ D59), V64 (= V60), N90 (= N86), A91 (= A87), I93 (≠ V89), I113 (= I109), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), I188 (≠ A185), T190 (= T187)

3ak4A Crystal structure of nadh-dependent quinuclidinone reductase from agrobacterium tumefaciens
35% identity, 99% coverage: 1:254/257 of query aligns to 5:255/258 of 3ak4A

query
sites
3ak4A

M

L

T

S

K

G

K

R

V

K

A

A

V

I

V

V

T

T

G

G

S

G

A

S

G
x
K

G
|
G

L
x
I

G

G

R

A

G

A

I

I

A

A

E

R

R

A

L

L

L

D

K

K

D

A

G

G

F

A

S

T

V

V

M

A

I

I

H

A

D
|
D

I
x
L

N

D

K

V

E

M

A

A

L

A

T

Q

K

A

T

V

E

V

S

A

E

G

L

L

K

E

D

N

L

G

G

G

D

F

V

A

A

V

S

E

F
x
V

V

-

G

-

D
|
D

V
|
V

S

T

K

K

K

R

E

A

D

S

Q

V

E

D

A

A

L

A

V

M

A

Q

A

K

T

A

V

I

E

D

K

A

F

L

G

G

Q

G

L

F

N

D

V

L

F

L

V

C

N

A

N
|
N

A
|
A

G
|
G

V

V

E

S

A

T

V

M

T

R

P

P

F

A

M

V

D

D

I

I

D

T

D

D

K

E

E

E

L

W

E

D

R

F

T

N

F

F

K

D

I

V

N

N

V

A

F

R

G

G

T

V

V

F

Y

L

G

A

T

N

Q

Q

A

I

A

A

A

C

A

R

Q

H

F

F

I

L

K

A

Q

S

G

N

T

T

S

K

G

G

K

V

I

I

I

V

N

N

A
x
T

C

A

S
|
S

I

L

A

A

G

A

H

K

E

V

A

G

Y

A

E

P

V

L

L
|
L

G

A

T

H

Y
|
Y

S

S

A

A

S

S

K
|
K

H

F

A

A

V

V

K

F

A

G

F

W

T

T

H

Q

V

A

A

L

A

A

K

R

E

E

L

M

A

A

S

P

K

K

H

N

I

I

T

R

V

V

N

N

A

C

Y

V

C

C

P

P

G
|
G

V

F

A
x
V

K

K

T
|
T

K

A

M
|
M

W

Q

D

E

R

R

I

-

D

-

E

E

E

I

M

I

V

W

K
x
E

A

A

D

E

-

L

P

R

S

G

L

M

K

T

P

P

G

E

E

A

P

V

F

R

A

A

K

E

F

Y

S

V

G

S

E

L

I

T

A

P

L

L

G

G

R

R

Y

I

E

E

T

E

P

P

T

E

D

D

V

V

A

A

N

D

L

V

V

V

H

V

F

F

L

L

A

A

S

S

E

D

D

A

S

A

D

R

Y

F

I

M

T

T

G

G

Q

Q

A

G

I

I

L

N

V

V

D

T

G

G

L

V

active site: G18 (= G14), S141 (= S139), L151 (= L149), Y154 (= Y152), K158 (= K156), E199 (≠ K199)
binding nicotinamide-adenine-dinucleotide: K17 (≠ G13), G18 (= G14), I19 (≠ L15), D38 (= D34), L39 (≠ I35), V60 (≠ F56), D61 (= D59), V62 (= V60), N88 (= N86), A89 (= A87), G90 (= G88), T139 (≠ A137), S141 (= S139), Y154 (= Y152), K158 (= K156), G185 (= G183), V187 (≠ A185), T189 (= T187), M191 (= M189)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
35% identity, 98% coverage: 4:254/257 of query aligns to 2:237/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

V

L

V

V

T

T

G
|
G

S

A

A
x
S

G
x
R

G
|
G

L
x
I

G

G

R

R

G

S

I

I

A

A

E

L

R

Q

L

L

L

A

K

E

D

E

G

G

F

Y

S

N

V

V

M

A

I

V

H
x
N

D
x
Y

I
x
A

-
x
G

N
x
S

K

K

E

E

A

K

L

A

T

E

K

A

T

V

E

V

S

E

E

E

L

I

K

K

D

A

L

K

G

G

-

V

D

D

V

S

A

F

S

A

F

I

V

Q

G
x
A

D
x
N

V
|
V

S

A

K

D

K

A

E

D

D

E

Q

V

E

K

A

A

L

M

V

I

A

K

A

E

T

V

V

V

E

S

K

Q

F

F

G

G

Q

S

L

L

N

D

V

V

F

L

V

V

N

N

N
|
N

A
|
A

G

G

V

I

E

T

A

R

V

D

T

N

P

L

F

L

M

M

D

R

I

M

D

K

D

E

K

Q

E

E

L

W

E

D

R

D

T

V

F

I

K

D

I
x
T

N

N

V

L

F

K

G

G

T

V

V

F

Y

N

G

C

T

I

Q

Q

A

K

A

A

A

T

A

P

Q

Q

F

M

I

L

K

R

Q

Q

G

-

T

R

S

S

G

G

K

A

I

I

N

N

A

L

C

S

S
|
S

I

V

A

V

G

G

H

A

E

V

A

G

Y

N

E

P

V

G

L
x
Q

G

A

T

N

Y
|
Y

S

V

A

A

S

T

K
|
K

H

A

A

G

V

V

K

I

A

G

F

L

T

T

H

K

V

S

A

A

K

R

E

E

L

L

A

A

S

S

K

R

H

G

I

I

T

T

V

V

N

N

A

A

Y

V

C

A

P
|
P

G
|
G

V

F

A

I

K

V

T

S

K

D

M

M

W

T

D

D

R

E

I

L

D

K

E

E

E

Q

M

M

V

L

K

T

A

-

D

-

P

-

S

-

L

-

K

-

P

-

G

-

E

-

P

-

F

-

A

-

K

-

F

-

S

-

G

-

E

Q

I

I

A

P

L

L

G

A

R

R

Y

F

E

G

T

Q

P

D

T

T

D

D

V

I

A

A

N

N

L

T

V

V

H

A

F

F

L

L

A

A

S

S

E

D

D

K

S

A

D

K

Y

Y

I

I

T

T

G

G

Q

Q

A

T

I

I

L

H

V

V

D

N

G

G

L

M

active site: G12 (= G14), S138 (= S139), Q148 (≠ L149), Y151 (= Y152), K155 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), S10 (≠ A12), R11 (≠ G13), I13 (≠ L15), N31 (≠ H33), Y32 (≠ D34), A33 (≠ I35), G34 (vs. gap), S35 (≠ N36), A58 (≠ G58), N59 (≠ D59), V60 (= V60), N86 (= N86), A87 (= A87), T109 (≠ I109), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
36% identity, 97% coverage: 5:254/257 of query aligns to 3:242/244 of 1edoA

query
sites
1edoA

V

V

A

V

V

V

T

T

G
|
G

S

A

A
x
S

G
x
R

G
|
G

L
x
I

G

G

R

K

G

A

I

I

A

A

E

L

R

S

L

L

L

G

K

K

D

A

G

G

F

C

S

K

V

V

M

L

I

V

-
x
N

H
x
Y

D
x
A

I
x
R

N
x
S

K

A

E

K

A

A

L

A

T

E

K

E

T

V

E

S

S

K

E

Q

L

I

K

E

D

A

L

Y

G

G

D

G

V

Q

A

A

-

I

S

T

F

F

V

G

G

G

D
|
D

V
|
V

S

S

K

K

K

E

E

A

D

D

Q

V

E

E

A

A

L

M

V

M

A

K

A

T

T

A

V

I

E

D

K

A

F

W

G

G

Q

T

L

I

N

D

V

V

F

V

V

V

N

N

N
|
N

A
|
A

G

G

V

I

E

T

A

R

V

D

T

T

P

L

F

L

M

I

D

R

I

M

D

K

K

S

E

Q

L

W

E

D

R

E

T

V

F

I

K

D

I

L

N

N

V

L

F

T

G

G

T

V

V

F

Y

L

G

C

T

T

Q

Q

A

A

A

T

A

K

Q

I

F

M

I

M

K

K

Q

K

G

-

T

R

S

K

G

G

K

R

I

I

N

N

A

I

C

A

S
|
S

I

V

A

V

G

G

H

L

E

I

A

G

Y

N

E

I

V

G

L

Q

G

A

T

N

Y
|
Y

S

A

A

A

S

A

K
|
K

H

A

A

G

V

V

K

I

A

G

F

F

T

S

H

K

V

T

A

A

K

R

E

E

L

G

A

A

S

S

K

R

H

N

I

I

T

N

V

V

N

N

A

V

Y

V

C

C

P
|
P

G
|
G

V

F

A
x
I

K

A

T
x
S

K

D

M
|
M

W

T

D

A

R

K

I

L

D

G

E

E

E

D

M

M

V

E

K

K

A

-

D

-

P

-

S

-

L

-

K

-

P

-

G

-

E

-

P

-

F

-

A

-

K

K

F

I

S

L

G

G

E

T

I

I

A

P

L

L

G

G

R

R

Y

T

E

G

T

Q

P

P

T

E

D

N

V

V

A

A

N

G

L

L

V

V

H

E

F

F

L

L

A

A

-

L

S

S

E

P

D

A

S

A

D

S

Y

Y

I

I

T

T

G

G

Q

Q

A

A

I

F

L

T

V

I

D

D

G

G

L

I

active site: G12 (= G14), S138 (= S139), Y151 (= Y152), K155 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), S10 (≠ A12), R11 (≠ G13), I13 (≠ L15), N31 (vs. gap), Y32 (≠ H33), A33 (≠ D34), R34 (≠ I35), S35 (≠ N36), D59 (= D59), V60 (= V60), N86 (= N86), A87 (= A87), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), I184 (≠ A185), S186 (≠ T187), M188 (= M189)

6d9yB Crystal structure of a short chain dehydrogenase/reductase sdr from burkholderia phymatum with partially occupied NAD
33% identity, 97% coverage: 4:253/257 of query aligns to 10:247/251 of 6d9yB

query
sites
6d9yB

K

R

V

V

A

V

V

V

V

I

T

T

G
|
G

S

G

A

A

G
x
R

G
|
G

L

I

G

G

R

Y

G

A

I

V

A

A

E

Q

R

R

L

A

L

L

K

R

D

S

G

G

F

A

S

A

V

V

M

A

I

L

H

W

D
|
D

I
x
L

N

D

K

A

E

E

A

R

L

L

T

A

K

R

T

S

E

E

S

R

E

E

L

L

K

A

D

E

L

L

G

G

D

K

V

V

A

C

S

A

F

V

V

T

G
x
V

D
|
D

V
x
Q

S

T

K

K

K

E

E

A

D

Q

Q

I

E

E

A

A

L

A

V

V

A

G

A

K

T

T

V

L

E

A

K

A

F

F

G

G

Q

A

L

I

N

D

V

V

F

L

V

I

N

N

N

C

A
|
A

G

G

V

I

E

T

A

G

V

G

T

N

-

G

P

T

F

T

M

W

D

E

I

L

D

E

D

P

K

D

E

V

L

W

E

R

R

Q

T

V

F

I

K

D

I

V

N

N

V

L

F

I

G

G

T

P

V

Y

Y

L

G

V

T

C

Q

R

A

A

A

V

A

P

Q

Q

F

M

I

L

K

K

Q

Q

G

G

T

Y

S

-

G

G

K

R

I

I

I

V

N

N

A

I

C

A

S
|
S

I

V

A

A

G

G

H

K

E

E

A

G

Y

N

E

P

V

N

L

A

G

S

T

H

Y
|
Y

S

S

A

A

S

S

K
|
K

H

A

A

G

V

L

K

I

A

G

F

L

T

T

H

K

V

S

A

L

A

G

K

K

E

E

L

L

A

A

S

T

K

K

H

N

I

I

T

L

V

V

N

N

A

A

Y

V

C

T

P
|
P

G
x
A

V
x
A

A
|
A

K

K

T
|
T

K

E

M

I

W

F

D

D

R

S

I

M

D

K

E

Q

E

E

M

H

V

I

K

D

A

Y

D

M

P

L

S

S

L

-

K

-

P

-

G

-

E

-

P

-

F

-

A

-

K

-

F

-

S

-

G

-

E

K

I

I

A

P

L

M

G

N

R

R

Y

F

E

L

T

L

P

P

T

D

D

E

V

A

A

A

N

S

L

L

V

I

H

L

F

W

L

L

A

G

S

S

E

E

D

D

S

C

D

A

Y

F

I

S

T

T

G

G

Q

S

A

V

I

F

L

D

V

L

D

S

G

G

active site: G20 (= G14), S145 (= S139), Y158 (= Y152)
binding nicotinamide-adenine-dinucleotide: G16 (= G10), R19 (≠ G13), G20 (= G14), D40 (= D34), L41 (≠ I35), V64 (≠ G58), D65 (= D59), Q66 (≠ V60), A93 (= A87), S145 (= S139), Y158 (= Y152), K162 (= K156), P188 (= P182), A189 (≠ G183), A190 (≠ V184), A191 (= A185), T193 (= T187)

5ojiA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
35% identity, 98% coverage: 4:254/257 of query aligns to 11:256/260 of 5ojiA

query
sites
5ojiA

K

K

V

V

A

A

V

I

V

V

T

T

G
x
A

S

A

A
x
T

G

K

G
|
G

L
x
I

G

G

R

L

G

A

I

I

A

A

E

E

R

R

L

L

K

D

D

E

G

G

F

A

S

S

V

V

M

V

I

I

H

G

D
x
S

I
x
R

N
|
N

K

Q

E

K

A
x
N

L

V

T

D

K

E

T

A

E

I

S

E

E

Y

L

L

K

K

D

N

L

K

G

G

-

L

-

T

D

K

V

V

A

A

S

G

F

I

V

A

G

G

D

H

V
x
I

S

A

K

S

K

T

E

D

D

D

Q

Q

E

K

A

K

L

L

V

V

A

D

A

F

T

T

V

L

E

Q

K

K

F

F

G

G

Q

K

L

I

N

N

V

I

F

L

V

V

N

N

N
|
N

A
x
H

G
|
G

V

I

E

N

-

P

A

A

V

F

T

G

P

H

F

I

M

L

D

E

I

V

D

S

D

D

K

Q

E

V

L

W

E

D

R

K

T

L

F

F

K

E

I

V

N

N

V

V

F

K

G

A

T

G

V

F

Y

Q

G

M

T

T

Q

K

A

L

A

V

A

H

A

P

Q

H

F

I

I

A

K

K

Q

E

G

G

T

G

S

G

G

A

K

I

I

I

I

F

N
|
N

A

A

C

-

S
|
S

I

Y

A
x
S

G

A

H

Y

E

K

A

S

Y

P

E

P

V

G

L

I

G

A

T

A

Y
|
Y

S

G

A

V

S

T

K
|
K

H

T

A

T

V

L

K

V

A

G

F

L

T

T

H

R

V

A

A

L

A

A

K

M

E

G

L

L

A

A

S

K

K

D

H

N

I

I

T

R

V

V

N

N

A

G

Y

I

C

A

P

P

G
|
G

V
|
V

A
x
I

K

K

T
|
T

K

K

M
|
M

-
x
S

-

Q

-

V

-
x
L

W

W

D

D

R

G

I

-

D

G

E

E

E

D

M

A

V

E

K

K

A

E

D

L

P

T

S

D

L

I

K

Q

P

-

G

-

E

-

P

-

F

-

A

-

K

-

F

-

S

-

G

-

E

E

I

I

A

A

L

L

G

G

R

R

Y

L

E

G

T

V

P

P

T

D

D

D

V

C

A

A

N

G

L

T

V

V

H

A

F

Y

L

L

A

A

S

S

E

D

D

D

S

S

D

S

Y

Y

I

I

T

T

G

G

Q

E

A

M

I

I

L

I

V

I

D

A

G

G

L

V

active site: G21 (= G14), S148 (= S139), Y161 (= Y152), K165 (= K156)
binding isatin: S148 (= S139), S150 (≠ A141), Y161 (= Y152), V193 (= V184), S199 (vs. gap), L202 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A17 (≠ G10), T19 (≠ A12), I22 (≠ L15), S41 (≠ D34), R42 (≠ I35), N43 (= N36), N46 (≠ A39), I69 (≠ V60), N95 (= N86), H96 (≠ A87), G97 (= G88), N146 (= N136), S148 (= S139), Y161 (= Y152), K165 (= K156), G192 (= G183), I194 (≠ A185), T196 (= T187), M198 (= M189)

5ojgA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
35% identity, 98% coverage: 4:254/257 of query aligns to 11:256/260 of 5ojgA

query
sites
5ojgA

K

K

V

V

A

A

V

I

V

V

T

T

G
x
A

S

A

A
x
T

G

K

G
|
G

L
x
I

G

G

R

L

G

A

I

I

A

A

E

E

R

R

L

L

K

D

D

E

G

G

F

A

S

S

V

V

M

V

I

I

H

G

D
x
S

I
x
R

N
|
N

K

Q

E

K

A
x
N

L

V

T

D

K

E

T

A

E

I

S

E

E

Y

L

L

K

K

D

N

L

K

G

G

-

L

-

T

D

K

V

V

A

A

S

G

F

I

V

A

G

G

D

H

V
x
I

S

A

K

S

K

T

E

D

D

D

Q

Q

E

K

A

K

L

L

V

V

A

D

A

F

T

T

V

L

E

Q

K

K

F

F

G

G

Q

K

L

I

N

N

V

I

F

L

V

V

N

N

N
|
N

A
x
H

G
|
G

V

I

E

N

-

P

A

A

V

F

T

G

P

H

F

I

M

L

D

E

I

V

D

S

D

D

K

Q

E

V

L

W

E

D

R

K

T

L

F

F

K

E

I

V

N

N

V

V

F

K

G

A

T

G

V

F

Y

Q

G

M

T

T

Q

K

A

L

A

V

A

H

A

P

Q

H

F

I

I

A

K

K

Q

E

G

G

T

G

S

G

G

A

K

I

I

I

I

F

N
|
N

A

A

C

-

S
|
S

I

Y

A

S

G

A

H

Y

E

K

A

S

Y

P

E

P

V

G

L

I

G

A

T

A

Y
|
Y

S

G

A

V

S

T

K
|
K

H

T

A

T

V

L

K

V

A

G

F

L

T

T

H

R

V

A

A

L

A

A

K

M

E

G

L

L

A

A

S

K

K

D

H

N

I

I

T

R

V

V

N

N

A

G

Y

I

C

A

P
|
P

G

G

V

V

A
x
I

K

K

T
|
T

K

K

M
|
M

-

S

-

Q

-

V

-

L

W

W

D

D

R

G

I

-

D

G

E

E

E

D

M

A

V

E

K

K

A

E

D

L

P

T

S

D

L

I

K

Q

P

-

G

-

E

-

P

-

F

-

A

-

K

-

F

-

S

-

G

-

E

E

I

I

A

A

L

L

G

G

R

R

Y

L

E

G

T

V

P

P

T

D

D

D

V

C

A

A

N

G

L

T

V

V

H

A

F

Y

L

L

A

A

S

S

E

D

D

D

S

S

D

S

Y

Y

I

I

T

T

G

G

Q

E

A

M

I

I

L

I

V

I

D

A

G

G

L

V

active site: G21 (= G14), S148 (= S139), Y161 (= Y152), K165 (= K156)
binding butane-2,3-dione: S148 (= S139), Y161 (= Y152)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A17 (≠ G10), T19 (≠ A12), G21 (= G14), I22 (≠ L15), S41 (≠ D34), R42 (≠ I35), N43 (= N36), N46 (≠ A39), I69 (≠ V60), N95 (= N86), H96 (≠ A87), G97 (= G88), N146 (= N136), S148 (= S139), Y161 (= Y152), K165 (= K156), P191 (= P182), I194 (≠ A185), T196 (= T187), M198 (= M189)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
35% identity, 99% coverage: 1:254/257 of query aligns to 3:244/246 of 3osuA

query
sites
3osuA

M

M

T

T

K

K

K

S

V

-

A

A

V

L

V

V

T

T

G

G

S

A

A

S

G

R

G
|
G

L

I

G

G

R

R

G

S

I

I

A

A

E

L

R

Q

L

L

L

A

K

E

D

E

G

G

F

Y

S

N

V

V

M

A

I

V

H

N

D

Y

I

A

-

G

N

S

K

K

E

E

A

K

L

A

T

E

K

A

T

V

E

V

S

E

E

E

L

I

K

K

D

A

L

K

G

G

-

V

D

D

V

S

A

F

S

A

F

I

V

Q

G

A

D

N

V

V

S

A

K

D

K

A

E

D

D

E

Q

V

E

K

A

A

L

M

V

I

A

K

A

E

T

V

V

V

E

S

K

Q

F

F

G

G

Q

S

L

L

N

D

V

V

F

L

V

V

N

N

N
|
N

A

A

G

G

V

I

E

T

A

R

V

D

T

N

P

L

F

L

M

M

D

R

I

M

D

K

D

E

K

Q

E

E

L

W

E

D

R

D

T

V

F

I

K

D

I

T

N

N

V

L

F

K

G

G

T

V

V

F

Y

N

G

C

T

I

Q

Q

A

K

A

A

A

T

A

P

Q

Q

F

M

I

L

K

R

Q

Q

G

-

T

R

S

S

G

G

K

A

I

I

N

N

A

L

C

S

S
|
S

I

V

A

V

G

G

H

A

E

V

A

G

Y

N

E

P

V

G

L
x
Q

G

A

T

N

Y
|
Y

S

V

A

A

S

T

K
|
K

H

A

A

G

V

V

K

I

A

G

F

L

T

T

H

K

V

S

A

A

K

R

E

E

L

L

A

A

S

S

K

R

H

G

I

I

T

T

V

V

N

N

A

A

Y

V

C

A

P

P

G

G

V

F

A

I

K

V

T

S

K

D

M

M

W

T

D

D

R

A

I

L

D

S

E

D

E

E

M

L

V

K

K

E

A

-

D

-

P

-

S

-

L

-

K

-

P

-

G

-

E

-

P

-

F

-

A

-

K

Q

F

M

S

L

G

T

E

Q

I

I

A

P

L

L

G

A

R

R

Y

F

E

G

T

Q

P

D

T

T

D

D

V

I

A

A

N

N

L

T

V

V

H

A

F

F

L

L

A

A

S

S

E

D

D

K

S

A

D

K

Y

Y

I

I

T

T

G

G

Q

Q

A

T

I

I

L

H

V

V

D

N

G

G

L

M

active site: G15 (= G14), S141 (= S139), Q151 (≠ L149), Y154 (= Y152), K158 (= K156)
binding magnesium ion: N89 (= N86), K158 (= K156)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
34% identity, 99% coverage: 1:255/257 of query aligns to 5:243/244 of 4nbuB

query
sites
4nbuB

M

L

T

Q

K

D

K

K

V

V

A

A

V

I

T

T

G
|
G

S

A

A

A

G
x
N

G
|
G

L
x
I

G

G

R

L

G

E

I

A

A

A

E

R

R

V

L

F

L

M

K

K

D

E

G

G

F

A

S

K

V

V

M

V

I

I

H

A

D
|
D

I
x
F

N

N

K

-

E

E

A

A

L

A

T

G

K

K

T

E

E

A

S

V

E

E

L

A

K

N

D

P

L

-

G

-

D

G

V

V

A

V

S

F

F

I

V

R

G
x
V

D
|
D

V
|
V

S

S

K

D

K

R

E

E

D

S

Q

V

E

H

A

R

L

L

V

V

A

E

A

N

T

V

V

A

E

E

K

R

F

F

G

G

Q

K

L

I

N

D

V

I

F

L

V

I

N

N

N
|
N

A
|
A

G
|
G

V
x
I

E

T

A

R

V
x
D

T

S

P

M

F

L

M

S

D
x
K

I

M

D

T

D

V

K

D

E

Q

L

F

E

Q

R

Q

T

V

F

I

K

N

I

V

N
|
N

V

L

F

T

G

G

T

V

V

F

Y

H

G

C

T

T

Q

Q

A

A

A

V

A

L

A

P

Q

Y

F

M

I

A

K

E

Q

Q

G

G

T

-

S

K

G

G

K

K

I

I

N

N

A
x
T

C

S

S
|
S

I

V

A

T

G

G

H

T

E

Y

A

G

Y
x
N

E
x
V

V

G

L
x
Q

G

T

T

N

Y
|
Y

S

A

A

A

S

A

K
|
K

H

A

A

G

V

V

K

I

A

G

F

M

T

T

H

K

V

T

A

W

A

A

K

K

E

E

L

L

A

A

S

R

K

K

H

G

I

I

T

N

V

V

N

N

A

A

Y

V

C

A

P
|
P

G

G

V
x
F

A
x
T

K

E

T
|
T

K

A

M
|
M

W

V

D

A

R

E

I

V

D

P

E

E

E

K

M

V

V

I

K

E

A

-

D

-

P

-

S

-

L

-

K

-

P

-

G

-

E

-

P

-

F

-

A

-

K
|
K

F

M

S

K

G

A

E

Q

I

V

A

P

L

M

G

G

R

R

Y

L

E

G

T

K

P

P

T

E

D

D

V

I

A

A

N

N

L

A

V

Y

H

L

F

F

L

L

A

A

S

S

E

H

D

E

S

S

D

D

Y

Y

I

V

T

N

G

G

Q

H

A

V

I

L

L

H

V

V

D

D

G

G

L

I

V

M

active site: G18 (= G14), N111 (= N110), S139 (= S139), Q149 (≠ L149), Y152 (= Y152), K156 (= K156)
binding acetoacetyl-coenzyme a: D93 (≠ V92), K98 (≠ D97), S139 (= S139), N146 (≠ Y146), V147 (≠ E147), Q149 (≠ L149), Y152 (= Y152), F184 (≠ V184), M189 (= M189), K200 (= K212)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G10), N17 (≠ G13), G18 (= G14), I19 (≠ L15), D38 (= D34), F39 (≠ I35), V59 (≠ G58), D60 (= D59), V61 (= V60), N87 (= N86), A88 (= A87), G89 (= G88), I90 (≠ V89), T137 (≠ A137), S139 (= S139), Y152 (= Y152), K156 (= K156), P182 (= P182), F184 (≠ V184), T185 (≠ A185), T187 (= T187), M189 (= M189)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
36% identity, 98% coverage: 1:253/257 of query aligns to 3:244/248 of 6ixmC

query
sites
6ixmC

M

L

T

D

K

N

K

K

V

V

A

A

V

L

V

V

T

T

G
|
G

S

A

A

G

G
x
S

G
|
G

L
x
I

G

G

R

L

G

A

I

V

A

A

E

H

R

S

L

Y

L

A

K

K

D

E

G

G

F

A

S

K

V

V

M

I

I

V

H

S

D
|
D

I
|
I

N

N

K

E

E

D

A

H

L

G

T

N

K

K

T

A

E

V

S

E

E

D

L

I

K

K

D

A

L

Q

G

G

D

G

V

E

A

A

S

S

F

F

V

V

-

K

G
x
A

D
|
D

V
x
T

S

S

K

N

K

P

E

E

D

E

Q

V

E

E

A

A

L

L

V

V

A

K

A

R

T

T

V

V

E

E

K

I

F

Y

G

G

Q

R

L

L

N

D

V

I

F

A

V

C

N

N

N
|
N

A
|
A

G

G

V

I

-

G

-

E

E

Q

A

A

V

L

T

A

P

G

F

D

M

Y

D

G

I

L

D

D

D

S

K

-

E

-

L

W

E

R

R

K

T

V

F

L

K

S

I

I

N

N

V

L

F

D

G

G

T

V

V

F

Y

Y

G

G

T

C

Q

K

A

Y

A

E

A

L

A

E

Q

Q

F

M

I

E

K

K

Q

N

G

G

T

-

S

G

G

G

K

V

I

I

I

V

N

N

A
x
M

C

A

S
|
S

I

I

A

H

G

G

H

I

E

V

A

A

Y

A

E

P

V

L

L

S

G

S

T

A

Y
|
Y

S

T

A

S

S

A

K
|
K

H

H

A

A

V

V

K

V

A

G

F

L

T

T

H

K

V

N

A

I

A

G

K

A

E

E

L

Y

A

G

S

Q

K

K

H

N

I

I

T

R

V

C

N

N

A

A

Y

V

C

G

P
|
P

G
x
A

V
x
Y

A
x
I

K

E

T

T

K

P

M
x
L

W

L

D

E

R

S

I

L

D

T

E

K

E

E

M

M

V

K

K

E

A

A

D

L

P

I

S

S

L

K

K

H

P

P

G

-

E

-

P

-

F

-

A

-

K

-