SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS23630 BWI76_RS23630 acetoin(diacetyl) 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)

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)
56% identity, 98% coverage: 6:259/259 of query aligns to 3:256/256 of Q48436

query
sites
Q48436

K

K

V

V

A

A

L
|
L

V
|
V

T
|
T

G
|
G

A
|
A

G
|
G

Q
|
Q

G
|
G

I
|
I

G
|
G

R
x
K

G
x
A

I
|
I

A
|
A

L
|
L

R
|
R

L
|
L

A
x
V

K
|
K

D
|
D

G
|
G

A
x
F

S
x
A

L
x
V

M
x
A

L
x
I

V
x
A

D
|
D

V

Y

N

N

P

D

E

A

G

T

I

A

A

K

A

A

V

V

A

A

A

S

E

E

V

I

E

N

A

Q

L

A

G

G

R

G

K

R

A

A

A

M

T

A

F

V

V

K

A

V

N
x
D

I

V

A

S

D

D

R

R

A

D

Q

Q

V

V

Y

F

A

A

I

V

D

E

E

Q

A

A

E

R

K

K

Q

T

L

L

G

G

F

F

D

D

I

V

I

I

V

V

N

N

A

A

G

G

I

V

A

A

Q

P

V

S

Q

T

A

P

L

I

A

E

D

S

V

I

T

T

P

P

E

E

E

I

V

V

D

D

R

K

I

V

M

Y

R

N

I

I

N

N

V

V

Q

K

G

G

T

V

L

I

W

W

G

G

I

I

Q

Q

A

A

A

V

K

E

K

A

F

F

I

K

D

K

R

E

Q

G

Q

H

K

G

G

G

K

K

I

I

N

N

A

A

C

C

S

S

I

Q

A

A

G

G

H

H

D

V

G

G

F

N

A

P

L

E

L

L

G

A

V

V

Y

Y

S

S

A

S

T

S

K
|
K

F

F

A

A

V

V

R

R

A

G

L

L

T

T

Q

Q

A

T

A

A

K

R

E

D

Y

L

A

A

S

P

R

L

G

G

I

I

T

T

V

V

N

N

A

G

Y

Y

C

C

P

P

G

G

I

I

V

V

G

K

T

T

G

P

M

M

W

W

T

A

E

E

I

I

D

D

K

R

R

Q

F

V

A

S

E

E

I

A

T

A

G

G

A

K

P

P

V

L

G

G

E

Y

T

G

Y

T

K

A

K

E

Y

F

V

A

E

K

G

R

I

I

A

T

L

L

G

G

R

R

A

L

E

S

T

E

P

P

D

E

D

D

V

V

A

A

S

A

L

C

V

V

S

S

Y

Y

L

L

A

A

G

S

P

P

D

D

S

S

D

D

Y

Y

V

M

T

T

G

G

Q

Q

S

S

I

L

L

L

I

I

D

D

G

G

I

M

V

V

Y

F

R

N

6:33 (vs. 9:36, 68% identical) binding
D59 (≠ N62) binding
K156 (= K159) binding

1gegE Cryatal structure analysis of meso-2,3-butanediol dehydrogenase (see paper)
56% identity, 98% coverage: 6:259/259 of query aligns to 3:256/256 of 1gegE

query
sites
1gegE

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

G

G

Q
|
Q

G
|
G

I
|
I

G

G

R

K

G

A

I

I

A

A

L

L

R

R

L

L

A

V

K

K

D

D

G

G

A

F

S

A

L

V

M

A

L

I

V

A

D
|
D

V
x
Y

N

N

P

D

E

A

G

T

I

A

A

K

A

A

V

V

A

A

A

S

E

E

V

I

E

N

A

Q

L

A

G

G

R

G

K

H

A

A

A

V

T

A

F

V

V

K

A
x
V

N
x
D

I
x
V

A

S

D

D

R
|
R

A
x
D

Q

Q

V

V

Y
x
F

A

A

I

V

D

E

E

Q

A

A

E

R

K

K

Q

T

L

L

G

G

F

F

D

D

I

V

I

I

V

V

N

N

N
|
N

A
|
A

G

G

I

V

A

A

Q

P

V

S

Q

T

A

P

L

I

A

E

D

S

V

I

T

T

P

P

E

E

E

I

V

V

D

D

R

K

I

V

M

Y

R

N

I
|
I

N

N

V

V

Q

K

G

G

T

V

L

I

W

W

G

G

I

I

Q

Q

A

A

A

V

K
x
E

K

A

F

F

I

K

D

K

R

E

Q

G

Q

H

K

G

G

G

K

K

I

I

N

N

A

A

C

C

S
|
S

I

Q

A

A

G

G

H

H

D

V

G

G

F

N

A

P

L

E

L

L

G

A

V

V

Y
|
Y

S

S

A

S

T

S

K
|
K

F

F

A

A

V

V

R

R

A

G

L

L

T

T

Q

Q

A

T

A

A

K

R

E

D

Y

L

A

A

S

P

R

L

G

G

I

I

T

T

V

V

N

N

A

G

Y

Y

C

C

P
|
P

G

G

I

I

V
|
V

G

K

T
|
T

G

P

M
|
M

W

W

T

A

E

E

I

I

D

D

K

R

R

Q

F
x
V

A

S

E

E

I

A

T

A

G

G

A

K

P

P

V

L

G

G

E

Y

T

G

Y

T

K

A

K

E

Y

F

V

A

E

K

G

R

I

I

A

T

L

L

G

G

R

R

A

L

E

S

T

E

P

P

D

E

D

D

V

V

A

A

S

A

L

C

V

V

S

S

Y

Y

L

L

A

A

G

S

P

P

D

D

S

S

D

D

Y

Y

V

M

T

T

G

G

Q

Q

S

S

I

L

L

L

I

I

D

D

G

G

I

M

V

V

Y

F

R

N

active site: G13 (= G16), S139 (= S142), Y152 (= Y155), K156 (= K159), V197 (≠ F200)
binding alpha-D-glucopyranose: R63 (= R66), D64 (≠ A67), F67 (≠ Y70), E123 (≠ K126)
binding nicotinamide-adenine-dinucleotide: G9 (= G12), Q12 (= Q15), I14 (= I17), D33 (= D36), Y34 (≠ V37), V58 (≠ A61), D59 (≠ N62), V60 (≠ I63), N86 (= N89), A87 (= A90), I109 (= I112), S139 (= S142), Y152 (= Y155), K156 (= K159), P182 (= P185), V185 (= V188), T187 (= T190), M189 (= M192)

3wyeA Crystal structure of chimeric engineered (2s,3s)-butanediol dehydrogenase complexed with NAD+
57% identity, 98% coverage: 6:259/259 of query aligns to 2:255/255 of 3wyeA

query
sites
3wyeA

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

G

G

Q
|
Q

G
|
G

I
|
I

G

G

R

K

G

A

I

I

A

A

L

L

R

R

L

L

A

V

K

K

D

D

G

G

A

F

S

A

L

V

M

A

L

I

V

A

D
|
D

V
x
Y

N

N

P

D

E

A

G

T

I

A

A

K

A

A

V

V

A

A

A

S

E

E

V

I

E

N

A

Q

L

A

G

G

R

G

K

H

A

A

A

V

T

A

F

V

V

K

A
x
V

N
x
D

I
x
V

A

S

D

D

R

R

A

D

Q

Q

V

V

Y

F

A

A

I

V

D

E

E

Q

A

A

E

R

K

K

Q

T

L

L

G

G

F

F

D

D

I

V

I

I

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

A

Q

Q

V

I

Q

K

A

P

L

L

A

L

D

E

V

V

T

T

P

E

E

E

E

D

V

L

D

K

R

Q

I

I

M

Y

R

S

I

V

N

N

V

V

Q

F

G

S

T

V

L

F

W

F

G

G

I

I

Q

Q

A

A

A

V

K

E

K

A

F

F

I

K

D

K

R

E

Q

G

Q

H

K

G

G

G

K

K

I

I

N

N

A

A

C

A

S
|
S

I

I

A

A

G

A

H

I

D

Q

G

G

F

F

A

P

L

I

L

L

G

S

V

A

Y
|
Y

S

S

A

T

T

T

K
|
K

F

F

A

A

V

V

R

R

A

G

L

L

T

T

Q

Q

A

T

A

A

K

R

E

D

Y

L

A

A

S

P

R

L

G

G

I

I

T

T

V

V

N

N

A

G

Y

Y

C

C

P
|
P

G
|
G

I

I

V
|
V

G

G

T
|
T

G

G

M
|
M

W
|
W

T

E

E

Q

I

I

D

D

K

A

R

E

F
x
L

A

S

E

K

I

I

T

N

G

G

A

K

P

P

V

I

G

G

E

E

T

N

Y

F

K

K

K

E

Y

Y

V

S

E

S

G

S

I

I

A

A

L

L

G

G

R

R

A

P

E

S

T

V

P

P

D

E

D

D

V

V

A

A

S

G

L

L

V

V

S

S

Y

F

L

L

A

A

G

S

P

P

D

D

S

S

D

D

Y

Y

V

M

T

T

G

G

Q

Q

S

S

I

L

L

L

I

I

D

D

G

G

I

M

V

V

Y

F

R

N

active site: G12 (= G16), S138 (= S142), Y151 (= Y155), K155 (= K159), L196 (≠ F200)
binding nicotinamide-adenine-dinucleotide: G8 (= G12), Q11 (= Q15), G12 (= G16), I13 (= I17), D32 (= D36), Y33 (≠ V37), V57 (≠ A61), D58 (≠ N62), V59 (≠ I63), N85 (= N89), A86 (= A90), S138 (= S142), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186), V184 (= V188), T186 (= T190), M188 (= M192), W189 (= W193)

3a28C Crystal structure of l-2,3-butanediol dehydrogenase (see paper)
53% identity, 98% coverage: 5:259/259 of query aligns to 1:257/257 of 3a28C

query
sites
3a28C

N

S

K

K

V

V

A

A

L

M

V

V

T

T

G
|
G

A

G

G

A

Q
|
Q

G
|
G

I
|
I

G

G

R

R

G

G

I

I

A

S

L

E

R

K

L

L

A

A

K

A

D

D

G

G

A

F

S

D

L

I

M

A

L

V

V

A

D
|
D

V
x
L

-

P

-

Q

N
x
Q

P

E

E

E

G

Q

I

A

A

A

A

E

V

T

A

I

A

K

E

L

V

I

E

E

A

A

L

A

G

D

R

Q

K

K

A

A

A

V

T

F

F

V

V

G

A
x
L

N
x
D

I
x
V

A

T

D

D

R

K

A

A

Q

N

V

F

Y

D

A

S

A

A

I

I

D

D

E

E

A

A

E

A

K

E

Q

K

L

L

G

G

F

F

D

D

I

V

I

L

V

V

N

N

N
|
N

A

A

G

G

I

I

A

A

Q

Q

V

I

Q

K

A

P

L

L

A

L

D

E

V

V

T

T

P

E

E

E

E

D

V

L

D

K

R

Q

I

I

M

Y

R

S

I

V

N

N

V

V

Q

F

G

S

T

V

L

F

W

F

G

G

I

I

Q

Q

A

A

A

S

K

R

K

K

F

F

I

D

D

E

R

L

Q

G

Q

V

K

K

G

G

K

K

I

I

N

N

A

A

C

A

S
|
S

I

I

A

A

G

A

H

I

D

Q

G

G

F

F

A

P

L

I

L

L

G

S

V

A

Y
|
Y

S

S

A

T

T

T

K
|
K

F

F

A

A

V

V

R

R

A

G

L

L

T

T

Q

Q

A

A

K

Q

E

E

Y

L

A

A

S

P

R

K

G

G

I

H

T

T

V

V

N

N

A

A

Y

Y

C

A

P
|
P

G

G

I

I

V
|
V

G

G

T
|
T

G

G

M
|
M

W
|
W

T

E

E

Q

I

I

D

D

K

A

R

E

F
x
L

A

S

E

K

I

I

T

N

G

G

A

K

P

P

V

I

G

G

E

E

T

N

Y

F

K

K

K

E

Y

Y

V

S

E

S

G

S

I

I

A

A

L

L

G

G

R

R

A

P

E

S

T

V

P

P

D

E

D

D

V

V

A

A

S

G

L

L

V

V

S

S

Y

F

L

L

A

A

G

S

P

E

D

N

S

S

D

N

Y

Y

V

V

T

T

G

G

Q

Q

S

V

I

M

L

L

I

V

D

D

G

G

I

M

V

L

Y

Y

R

N

active site: G12 (= G16), S140 (= S142), Y153 (= Y155), K157 (= K159), L198 (≠ F200)
binding nicotinamide-adenine-dinucleotide: G8 (= G12), Q11 (= Q15), I13 (= I17), D32 (= D36), L33 (≠ V37), Q36 (≠ N38), L59 (≠ A61), D60 (≠ N62), V61 (≠ I63), N87 (= N89), S140 (= S142), Y153 (= Y155), K157 (= K159), P183 (= P185), V186 (= V188), T188 (= T190), M190 (= M192), W191 (= W193)

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)
53% identity, 98% coverage: 5:259/259 of query aligns to 2:258/258 of Q9ZNN8

query
sites
Q9ZNN8

N

S

K

K

V

V

A

A

L

M

V

V

T

T

G

G

A

G

G

A

Q
|
Q

G
|
G

I
|
I

G

G

R

R

G

G

I

I

A

S

L

E

R

K

L

L

A

A

K

A

D

D

G

G

A

F

S

D

L

I

M

A

L

V

V

A

D
|
D

V

L

-

P

-

Q

N
x
Q

P

E

E

E

G

Q

I

A

A

A

A

E

V

T

A

I

A

K

E

L

V

I

E

E

A

A

L

A

G

D

R

Q

K

K

A

A

A

V

T

F

F

V

V

G

A

L

N
x
D

I
x
V

A

T

D

D

R

K

A

A

Q

N

V

F

Y

D

A

S

A

A

I

I

D

D

E

E

A

A

E

A

K

E

Q

K

L

L

G

G

F

F

D

D

I

V

I

L

V

V

N

N

N
|
N

A

A

G

G

I

I

A

A

Q

Q

V

I

Q

K

A

P

L

L

A

L

D

E

V

V

T

T

P

E

E

E

E

D

V

L

D

K

R

Q

I

I

M

Y

R

S

I

V

N

N

V

V

Q

F

G

S

T

V

L

F

W

F

G

G

I

I

Q

Q

A

A

A

S

K

R

K

K

F

F

I

D

D

E

R

L

Q

G

Q

V

K

K

G

G

K

K

I

I

N

N

A

A

C

A

S

S

I
|
I

A

A

G

A

H

I

D

Q

G

G

F
|
F

A

P

L

I

L

L

G

S

V

A

Y
|
Y

S

S

A

T

T

T

K
|
K

F

F

A

A

V

V

R

R

A

G

L

L

T

T

Q

Q

A

A

K

Q

E

E

Y

L

A

A

S

P

R

K

G

G

I

H

T

T

V

V

N

N

A

A

Y

Y

C

A

P
|
P

G
|
G

I
|
I

V
|
V

G
|
G

T
|
T

G

G

M

M

W

W

T

E

E

Q

I

I

D

D

K

A

R

E

F

L

A

S

E

K

I

I

T

N

G

G

A

K

P

P

V

I

G

G

E

E

T

N

Y

F

K

K

K

E

Y

Y

V

S

E

S

G

S

I

I

A

A

L

L

G

G

R

R

A

P

E

S

T

V

P

P

D

E

D

D

V

V

A

A

S

G

L

L

V

V

S

S

Y

F

L

L

A

A

G

S

P

E

D

N

S

S

D

N

Y

Y

V

V

T

T

G

G

Q

Q

S

V

I

M

L

L

I

V

D

D

G

G

I

M

V

L

Y

Y

R

N

QGI 12:14 (= QGI 15:17) binding
D33 (= D36) binding
Q37 (≠ N38) binding
DV 61:62 (≠ NI 62:63) binding
N88 (= N89) binding
I142 (= I143) 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 (= F149) 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 (= Y155) binding
K158 (= K159) binding
PGIVGT 184:189 (= PGIVGT 185:190) binding

6pejA Structure of sorbitol dehydrogenase from sinorhizobium meliloti 1021 bound to sorbitol
37% identity, 98% coverage: 3:255/259 of query aligns to 4:253/257 of 6pejA

query
sites
6pejA

I

L

E

E

N

G

K

K

V

S

A

A

L

L

V

I

T

T

G

G

A

S

G

A

Q

R

G
|
G

I

I

G

G

R

R

G

A

I

F

A

A

L

E

R

A

L

Y

A

V

K

R

D

E

G

G

A

A

S

T

L

V

M

A

L

I

V

A

D

D

V

I

N

D

P

I

E

E

G

R

I

A

A

R

A

Q

V

A

A

A

E

E

V

I

E

-

A

-

L

-

G

G

R

P

K

A

A

A

A

Y

T

A

F

V

V

Q

A

M

N

D

I

V

A

T

D

R

R

Q

A

D

Q

S

V

I

Y

D

A

A

I

I

D

A

E

A

A

T

E

V

K

E

Q

H

L

A

G

G

F

L

D

D

I

I

I

L

V

V

N

N

A

A

G

A

I

L

A

F

Q

D

V

L

Q

A

A

P

L

I

A

V

D

E

V

I

T

T

P

R

E

E

E

S

V

Y

D

E

R

K

I

L

M

F

R

A

I

I

N

N

V

V

Q

A

G

G

T

T

L

L

W

F

G

T

I

L

Q

Q

A

A

K

R

K

Q

F

M

I

I

D

A

R

Q

Q

G

Q

R

K

G

G

G

K

K

I

I

N

N

A

M

C

A

S
|
S

I
x
Q

A

A

G

G

H

R

D

R

G

G

F
x
E

A

A

L

L

L

V

G

A

V

I

Y
|
Y

S

C

A

A

T

T

K

K

F

A

A

A

V

V

R

I

A

S

L

L

T

T

Q

Q

A

S

A

A

A

G

K

L

E

D

Y

L

A

I

S

K

R

H

G

R

I

I

T

N

V

V

N

N

A

A

Y

I

C

A

P

P

G

G

I

V

V

V

G

D

T

G

G

E

M
x
H

W
|
W

T

D

E

G

I

V

D

D

K

A

R

L

F
|
F

A

A

E

R

I

Y

T

E

G

N

A

R

P

P

V

R

G

G

E

E

T

K

Y

K

K

R

K

L

Y

V

V

G

E

E

G

A

I

V

A

P

L

F

G

G

R

R

A

M

E

G

T

T

P

A

D

E

D

D

V

L

A

T

S

G

L

M

V

A

S

I

Y

F

L

L

A

A

G

S

P

A

D

E

S

S

D

D

Y

Y

V

I

T

V

G

S

Q

Q

S

T

I

Y

L

N

I

V

D

D

G

G

active site: G17 (= G16), S140 (= S142), Y153 (= Y155)
binding sorbitol: Q141 (≠ I143), E147 (≠ F149), H190 (≠ M192), W191 (= W193), F198 (= F200)

3ak4A Crystal structure of nadh-dependent quinuclidinone reductase from agrobacterium tumefaciens
38% identity, 98% coverage: 3:256/259 of query aligns to 5:255/258 of 3ak4A

query
sites
3ak4A

I

L

E

S

N

G

K

R

V

K

A

A

L

I

V

V

T

T

G

G

A

G

G

S

Q
x
K

G
|
G

I
|
I

G

G

R

A

G

A

I

I

A

A

L

R

R

A

L

L

A

D

K

K

D

A

G

G

A

A

S

T

L

V

M

A

L

I

V

A

D
|
D

V
x
L

N

D

P

V

E

M

G

A

I

A

A

Q

A

A

V

V

A

V

A

A

E

G

V

L

E

E

A

N

L

G

G

G

R

F

K

A

A

V

A

E

T
x
V

F

-

V

-

A

-

N
x
D

I
x
V

A

T

D

K

R

R

A

A

Q

S

V

V

Y

D

A

A

I

M

D

Q

E

K

A

A

E

I

K

D

Q

A

L

L

G

G

F

F

D

D

I

L

V

C

N

A

N
|
N

A
|
A

G
|
G

I

V

A

S

Q

T

V

M

Q

R

A

P

L

A

A

V

D

D

V

I

T

T

P

D

E

E

V

W

D

D

R

F

I

N

M

F

R

D

I

V

N

N

V

A

Q

R

G

G

T

V

L

F

W

L

G

A

I

N

Q

Q

A

I

A

A

A

C

K

R

K

H

F

F

I

L

D

A

R

S

Q

N

Q

T

K

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

D

V

G

G

F

A

A

P

L

L

L
|
L

G

A

V

H

Y
|
Y

S

S

A

A

T

S

K
|
K

F

F

A

A

V

V

R

F

A

G

L

W

T

T

Q

Q

A

A

A

L

A

A

K

R

E

E

Y

M

A

A

S

P

R

K

G

N

I

I

T

R

V

V

N

N

A

C

Y

V

C

C

P

P

G
|
G

I

F

V
|
V

G

K

T
|
T

G

A

M
|
M

W

Q

T

E

E

R

I

E

D

I

K

I

R

W

F
x
E

A

A

E

E

I

L

T

R

G

G

A

M

P

T

V

P

G

E

E

A

T

V

Y

R

K

A

K

E

Y

Y

V

V

E

S

G

L

I

T

A

P

L

L

G

G

R

R

A

I

E

E

T

E

P

P

D

E

D

D

V

V

A

A

S

D

L

V

V

V

S

V

Y

F

L

L

A

A

G

S

P

D

D

A

S

A

D

R

Y

F

V

M

T

T

G

G

Q

Q

S

G

I

I

L

N

I

V

D

T

G

G

I

V

active site: G18 (= G16), S141 (= S142), L151 (= L152), Y154 (= Y155), K158 (= K159), E199 (≠ F200)
binding nicotinamide-adenine-dinucleotide: K17 (≠ Q15), G18 (= G16), I19 (= I17), D38 (= D36), L39 (≠ V37), V60 (≠ T58), D61 (≠ N62), V62 (≠ I63), N88 (= N89), A89 (= A90), G90 (= G91), T139 (≠ A140), S141 (= S142), Y154 (= Y155), K158 (= K159), G185 (= G186), V187 (= V188), T189 (= T190), M191 (= M192)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
39% identity, 97% coverage: 6:256/259 of query aligns to 5:244/246 of 3osuA

query
sites
3osuA

K

K

V

S

A

A

L

L

V

V

T

T

G

G

A

A

G

S

Q

R

G
|
G

I

I

G

G

R

R

G

S

I

I

A

A

L

L

R

Q

L

L

A

A

K

E

D

E

G

G

A

Y

S

N

L

-

M

-

L

-

V

V

D

A

V

V

N

N

-

Y

-

A

-

G

-

S

P

K

E

E

G

K

I

A

A

E

A

A

V

V

A

V

A

E

E

E

V

I

E

K

A

A

L

K

G

G

R

V

K

D

A

S

A

F

T

A

F

I

V

Q

A

A

N

N

I

V

A

A

D

D

R

A

A

D

Q

E

V

V

Y

K

A

A

A

M

I

I

D

K

E

E

A

V

E

V

K

S

Q

Q

L

F

G

G

G

S

F

L

D

D

I

V

I

L

V

V

N

N

N
|
N

A

A

G

G

I

I

A

T

Q

R

V

D

Q

N

A

L

L

L

A

M

D

R

V

M

T

K

P

E

E

Q

E

E

V

W

D

D

R

D

I

V

M

I

R

D

I

T

N

N

V

L

Q

K

G

G

T

V

L

F

W

N

G

C

I

I

Q

Q

A

K

A

A

A

T

K

P

K

Q

F

M

I

L

D

-

R

R

Q

Q

Q

R

K

S

G

G

K

A

I

I

N

N

A

L

C

S

S
|
S

I

V

A

V

G

G

H

A

D

V

G

G

F

N

A

P

L

G

L
x
Q

G

A

V

N

Y
|
Y

S

V

A

A

T

T

K
|
K

F

A

A

G

V

V

R

I

A

G

L

L

T

T

Q

K

A

S

A

A

K

R

E

E

Y

L

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

A

Y

V

C

A

P

P

G

G

I

F

V

I

G

-

T

-

G

-

M

-

W

-

T

-

E

-

I

-

D

-

K

-

R

-

F

V

A

S

E

D

I

M

T

T

G

D

A

A

P

L

V

S

G

D

E

E

T

L

Y

K

K

E

K

Q

Y

M

V

L

E

T

G

Q

I

I

A

P

L

L

G

A

R

R

A

F

E

G

T

Q

P

D

D

T

D

D

V

I

A

A

S

N

L

T

V

V

S

A

Y

F

L

L

A

A

G

S

P

D

D

K

S

A

D

K

Y

Y

V

I

T

T

G

G

Q

Q

S

T

I

I

L

H

I

V

D

N

G

G

I

M

active site: G15 (= G16), S141 (= S142), Q151 (≠ L152), Y154 (= Y155), K158 (= K159)
binding magnesium ion: N89 (= N89), K158 (= K159)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
37% identity, 99% coverage: 1:257/259 of query aligns to 1:246/247 of 4jroC

query
sites
4jroC

M

M

A

T

I

L

E

Q

N

G

K

K

V

V

A

A

L

V

V

V

T

T

G
|
G

A

G

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

R

R

G

D

I

I

A

A

L

I

R

N

L

L

A

A

K

K

D

E

G

G

A

A

S

N

L

I

M

F

L

F

-
x
N

V
x
Y

D
x
N

V
x
G

N
x
S

P

P

E

E

G

A

I

A

A

E

V

T

A

A

A

K

E

L

V

V

E

A

A

E

L

H

G

G

R

V

K

E

A

V

A

E

T

A

F

M

V

K

A

A

N
|
N

I
x
V

A

A

D

I

R

A

A

E

Q

D

V

V

Y

D

A

A

A

F

I

F

D

K

E

Q

A

A

E

I

K

E

Q

R

L

F

G

G

G

R

F

V

D

D

I

I

I

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

A

T

Q

R

V

D

Q

N

A

L

L

L

A

M

D

R

V

M

T

K

P

E

E

D

E

E

V

W

D

D

R

D

I

V

M

I

R

N

I
|
I

N

N

V

L

Q

K

G

G

T

T

L

F

W

L

G

C

I

T

Q

K

A

A

A

V

A

S

K

R

K

T

F

M

I

M

D

-

R

K

Q

Q

Q

R

K

A

G

G

K

K

I

I

N

N

A

M

C

A

S
|
S

I

V

A

V

G

G

H

L

D

I

G

G

F

N

A

A

L

G

L
x
Q

G

A

V

N

Y
|
Y

S

V

A

A

T

S

K
|
K

F

A

A

G

V

V

R

I

A

G

L

L

T

T

Q

K

A

T

A

A

K

R

E

E

Y

L

A

A

S

P

R

R

G

G

I

I

T

N

V

V

N

N

A

A

Y

V

C

A

P
|
P

G

G

I

F

V
x
I

G

T

T
|
T

G

D

M

M

W

T

T

D

E

K

I

L

D

D

K

E

R

K

F

-

A

-

E

-

I

-

T

-

G

-

A

-

P

-

V

-

G

-

E

-

T

T

Y

K

K

E

K

A

Y

M

V

L

E

A

G

Q

I

I

A

P

L

L

G

G

R

A

A

Y

E

G

T

T

P

T

D

E

D

D

V

I

A

A

S

N

L

A

V

V

S

L

Y

F

L

L

A

A

G

S

P

D

D

A

S

S

D

K

Y

Y

V

I

T

T

G

G

Q

Q

S

T

I

L

L

S

I

V

D

D

G

G

I

M

V

V

active site: G16 (= G16), S142 (= S142), Q152 (≠ L152), Y155 (= Y155), K159 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ G14), R15 (≠ Q15), G16 (= G16), I17 (= I17), N35 (vs. gap), Y36 (≠ V35), N37 (≠ D36), G38 (≠ V37), S39 (≠ N38), N63 (= N62), V64 (≠ I63), N90 (= N89), A91 (= A90), I93 (= I92), I113 (= I112), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), I188 (≠ V188), T190 (= T190)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
38% identity, 97% coverage: 6:256/259 of query aligns to 2:237/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

L

L

V

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

R

R

G

S

I

I

A

A

L

L

R

Q

L

L

A

A

K

E

D

E

G

G

A

Y

S

N

L

-

M

-

L

-

V

V

D

A

V

V

N
|
N

-
x
Y

-
x
A

-
x
G

-
x
S

P

K

E

E

G

K

I

A

A

E

A

A

V

V

A

V

A

E

E

E

V

I

E

K

A

A

L

K

G

G

R

V

K

D

A

S

A

F

T

A

F

I

V

Q

A
|
A

N
|
N

I
x
V

A

A

D

D

R

A

A

D

Q

E

V

V

Y

K

A

A

A

M

I

I

D

K

E

E

A

V

E

V

K

S

Q

Q

L

F

G

G

G

S

F

L

D

D

I

V

I

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

T

Q

R

V

D

Q

N

A

L

L

L

A

M

D

R

V

M

T

K

P

E

E

Q

E

E

V

W

D

D

R

D

I

V

M

I

R

D

I
x
T

N

N

V

L

Q

K

G

G

T

V

L

F

W

N

G

C

I

I

Q

Q

A

K

A

A

A

T

K

P

K

Q

F

M

I

L

D

-

R

R

Q

Q

Q

R

K

S

G

G

K

A

I

I

N

N

A

L

C

S

S
|
S

I

V

A

V

G

G

H

A

D

V

G

G

F

N

A

P

L

G

L
x
Q

G

A

V

N

Y
|
Y

S

V

A

A

T

T

K
|
K

F

A

A

G

V

V

R

I

A

G

L

L

T

T

Q

K

A

S

A

A

K

R

E

E

Y

L

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

A

Y

V

C

A

P
|
P

G
|
G

I

F

V

I

G

V

T

S

G

D

M

M

W

T

T

D

E

E

I

L

D

K

K

E

R

Q

F

M

A

-

E

-

I

-

T

-

G

-

A

-

P

-

V

-

G

-

E

-

T

-

Y

-

K

-

Y

-

V

L

E

T

G

Q

I

I

A

P

L

L

G

A

R

R

A

F

E

G

T

Q

P

D

D

T

D

D

V

I

A

A

S

N

L

T

V

V

S

A

Y

F

L

L

A

A

G

S

P

D

D

K

S

A

D

K

Y

Y

V

I

T

T

G

G

Q

Q

S

T

I

I

L

H

I

V

D

N

G

G

I

M

active site: G12 (= G16), S138 (= S142), Q148 (≠ L152), Y151 (= Y155), K155 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), S10 (≠ G14), R11 (≠ Q15), I13 (= I17), N31 (= N38), Y32 (vs. gap), A33 (vs. gap), G34 (vs. gap), S35 (vs. gap), A58 (= A61), N59 (= N62), V60 (≠ I63), N86 (= N89), A87 (= A90), T109 (≠ I112), S138 (= S142), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
38% identity, 98% coverage: 3:256/259 of query aligns to 3:245/247 of 6j7uA

query
sites
6j7uA

I

L

E

N

N

G

K

K

V

V

A

A

L

F

V

V

T

T

G
|
G

A

G

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

R

A

G

A

I

I

A

V

L

R

R

R

L

L

A

A

K

A

D

D

G

G

A

A

S

D

L

I

M

A

L

F

-

T

-
x
Y

V
|
V

D
x
S

V

A

N

S

P
x
S

E

K

G

N

I

V

A

A

-

T

A

A

V

L

A

V

A

Q

E

E

V

L

E

E

A

A

L

K

G

G

R

R

K

R

A

A

A

R

T

A

F

I

V

Q

A

A

N
x
D

I
x
S

A

A

D

D

R

P

A

A

Q

Q

V

V

Y

R

A

Q

A

A

I

V

D

E

E

Q

A

A

E

I

K

V

Q

Q

L

L

G

G

G

P

F

V

D

D

I

V

I

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

A

F

Q

L

V

A

Q

G

A

P

L

L

A

G

D

E

V

V

T

T

P

L

E

D

V

Y

D

E

R

R

I

T

M

M

R

N

I
|
I

N

N

V

V

Q

R

G

A

T

P

L

F

W

V

G

A

I

I

Q

Q

A

A

A

Q

K

A

K

S

F

M

I

P

D

D

R

-

Q

-

K

G

G

G

K

R

I

I

N

N

A

I

C
x
G

S
|
S

-

C

I

L

A

A

G

E

H

R

D

A

G

G

F

R

A

A

L

G

L

V

G

T

V

L

Y
|
Y

S

A

A

A

T

S

K
|
K

F

S

A

A

V

L

R

L

A

G

L

M

T

T

Q

R

A

G

A

L

A

A

K

R

E

D

Y

L

A

G

S

A

R

R

G

G

I

I

T

T

V

A

N

N

A

V

Y

V

C

H

P
|
P

G

G

I

P

V

I

G

D

T
|
T

G

D

M
|
M

W
x
N

T

P

E

A

I

D

D

G

K

E

R

R

F

S

A

G

E

E

I

L

T

-

G

-

A

-

P

-

V

-

G

-

E

-

T

-

Y

-

K

-

Y

-

V

V

E

A

G

V

I

L

A

S

L

L

G

P

R

H

A

Y

E

G

T

E

P

V

D

R

D

D

V

I

A

A

S

G

L

M

V

V

S

A

Y

F

L

L

A

A

G

G

P

P

D

D

S

G

D

R

Y

Y

V

V

T

T

G

G

Q

A

S

S

I

L

L

A

I

V

D

D

G

G

I

F

active site: G16 (= G16), S142 (= S142), Y156 (= Y155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ G14), R15 (≠ Q15), I17 (= I17), Y36 (vs. gap), V37 (= V35), S38 (≠ D36), S41 (≠ P39), D65 (≠ N62), S66 (≠ I63), N92 (= N89), A93 (= A90), G94 (= G91), I115 (= I112), G141 (≠ C141), S142 (= S142), Y156 (= Y155), K160 (= K159), P186 (= P185), T191 (= T190), M193 (= M192), N194 (≠ W193)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
38% identity, 97% coverage: 7:256/259 of query aligns to 3:242/244 of 1edoA

query
sites
1edoA

V

V

A

V

L

V

V

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

R

K

G

A

I

I

A

A

L

L

R

S

L

L

A

G

K

K

D

A

G

G

A

C

S

K

L

V

M

-

L

L

V

V

D
x
N

V
x
Y

N
x
A

P
x
R

E
x
S

G

A

I

K

A

A

-

E

V

V

A

S

A

K

E

Q

V

I

E

E

A

A

L

Y

G

G

R

G

K

Q

A

A

A

I

T

T

F

F

V

G

A

G

N
x
D

I
x
V

A

S

D

K

R

E

A

A

Q

D

V

V

Y

E

A

A

A

M

I

M

D

K

E

T

A

A

E

I

K

D

Q

A

L

W

G

G

G

T

F

I

D

D

I

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

T

Q

R

V

D

Q

T

A

L

L

L

A

I

D

R

V

M

T

K

P

K

E

S

E

Q

V

W

D

D

R

E

I

V

M

I

R

D

I

L

N

N

V

L

Q

T

G

G

T

V

L

F

W

L

G

C

I

T

Q

Q

A

A

A

T

K

K

K

I

F

M

I

M

D

-

R

K

Q

K

Q

R

K

K

G

G

K

R

I

I

N

N

A

I

C

A

S
|
S

I

V

A

V

G

G

H

L

D

I

G

G

F

N

A

I

L

G

L

Q

G

A

V

N

Y
|
Y

S

A

A

A

T

A

K
|
K

F

A

A

G

V

V

R

I

A

G

L

F

T

S

Q

K

A

T

A

A

K

R

E

E

Y

G

A

A

S

S

R

R

G

N

I

I

T

N

V

V

N

N

A

V

Y

V

C

C

P
|
P

G
|
G

I

F

V
x
I

G

A

T
x
S

G

D

M
|
M

W

T

T

-

E

-

I

-

D

-

K

-

R

-

F

-

A

-

E

-

I

-

T

-

G

-

A

A

P

K

V

L

G

G

E

E

T

D

Y

M

K

E

K

K

Y

K

V

I

E

L

G

G

-

T

I

I

A

P

L

L

G

G

R

R

A

T

E

G

T

Q

P

P

D

E

D

N

V

V

A

A

S

G

L

L

V

V

S

E

Y

F

L

L

A

A

-

L

G

S

P

P

D

A

S

A

D

S

Y

Y

V

I

T

T

G

G

Q

Q

S

A

I

F

L

T

I

I

D

D

G

G

I

I

active site: G12 (= G16), S138 (= S142), Y151 (= Y155), K155 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), S10 (≠ G14), R11 (≠ Q15), I13 (= I17), N31 (≠ D36), Y32 (≠ V37), A33 (≠ N38), R34 (≠ P39), S35 (≠ E40), D59 (≠ N62), V60 (≠ I63), N86 (= N89), A87 (= A90), S138 (= S142), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186), I184 (≠ V188), S186 (≠ T190), M188 (= M192)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
36% identity, 98% coverage: 3:257/259 of query aligns to 14:258/261 of 5u9pB

query
sites
5u9pB

I

L

E

D

N

G

K

R

V

R

A

A

L

L

V

I

T

T

G
|
G

A

S

G

G

Q
x
R

G
|
G

I
|
I

G

G

R

L

G

T

I

L

A

A

L

R

R

G

L

L

A

A

K

E

D

A

G

G

A

A

S

A

L

I

M

V

L

I

V

N

D

D

V
x
R

N

N

P

E

E

E

G

K

I

A

A

A

A

T

V

L

A

A

A

R

E

R

V

F

E

R

A

D

L

E

G

G

R

F

K

A

A

A

A

D

T

H

F

A

V

V

A

F

N
x
D

I
x
V

A

A

D

E

R

H

A

A

Q

Q

V

V

Y

R

A

A

I

I

D

D

E

E

A

F

E

E

K

A

Q

R

L

V

G

G

G

A

F

I

D

D

I

I

I

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

Q

Q

R

V

R

Q

A

A

P

L

L

A

D

D

A

V

F

T

E

P

P

E

D

V

W

D

H

R

A

I

L

M

M

R

R

I

V

N

N

V

L

Q

D

G

G

T

V

L

F

W

N

G

V

I

A

Q

Q

A

A

A

V

A

A

K

R

K

H

F

M

I

I

D

A

R

R

Q

G

Q

H

K

-

G

G

K

K

I

I

N

N

A
x
I

C

C

S
|
S

I

V

A

Q

G

S

H

E

D

L

G

A

F

R

A

P

L

T

L

I

G

A

V

P

Y
|
Y

S

A

A

A

T

T

K
|
K

F

G

A

A

V

V

R

R

A

M

L

L

T

T

Q

K

A

G

A

M

A

C

K

A

E

D

Y

W

A

A

S

R

R

Y

G

G

I

I

T

Q

V

A

N

N

A

G

Y

L

C

A

P
|
P

G

G

I

Y

V
x
F

G

E

T

-

G

-

M

-

W

-

T
|
T

E

E

I
x
L

D
x
N

K

R

R

-

F

-

A

A

E

L

I

V

T

D

G

D

A

A

P

A

V

F

G

S

E

D

T

W

Y

L

K

C

K

K

Y

R

V

T

E

P

G

A

I

-

A

-

L

-

G

G

R

R

A

W

E

G

T

Q

P

V

D

D

D

E

V

L

A

C

S

G

L

A

V

A

S

I

Y

F

L

L

A

A

G

S

P

A

D

A

S

S

D

D

Y

F

V

V

T

N

G

G

Q

Q

S

T

I

L

L

F

I

V

D

D

G

G

I

L

V

T

active site: G27 (= G16), S152 (= S142), Y165 (= Y155), K169 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G12), R26 (≠ Q15), G27 (= G16), I28 (= I17), R48 (≠ V37), D73 (≠ N62), V74 (≠ I63), N100 (= N89), A101 (= A90), I150 (≠ A140), Y165 (= Y155), K169 (= K159), P195 (= P185), F198 (≠ V188), T200 (= T194), L202 (≠ I196), N203 (≠ D197)

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)
34% identity, 98% coverage: 1:255/259 of query aligns to 1:242/248 of Q9KJF1

query
sites
Q9KJF1

M
|
M

A

G

I

I

E

Q

N

N

K

R

V

V

A

A

L

L

V

I

T

T

G

G

A

S

G

A

Q
x
S

G

G

I

M

G

G

R

K

G

Q

I

T

A

A

L

L

R

R

L

F

A

A

K

E

D

Q

G

G

A

A

S

A

L

V

M

V

L

I

V

N

D
|
D

V

I

N

D

P

A

E

E

G

K

I

V

A

R

A

A

V

T

A

V

A

D

E

E

V

F

E

S

A

A

L

R

G

G

R

H

K

R

A

V

A

L

T

G

F

A

V

V

A

A

N
x
D

I
|
I

A

G

D

N

R

K

A

A

Q

A

V

V

Y

D

A

G

A

M

I

V

D

K

E

Q

A

T

E

I

K

D

Q

A

L

F

G

G

G

R

F

I

D

D

I

I

I

L

V

V

N

N

N
|
N

A

A

G

G

I

M

A

E

Q

R

V

A

Q

G

A

A

L

L

A

R

D

K

V

L

T

S

P

E

E

A

E

D

V

W

D

D

R

V

I

T

M

I

R

N

I

V

N

N

V

L

Q

K

G

G

T

T

L

F

W

L

G

C

I

T

Q

Q

A

A

A

V

A

H

K

G

K

H

F

M

I

V

D

E

R

N

Q

K

Q

H

K

-

G

G

K

R

I

I

I

V

N

N

A

I

C

A

S

S

I

R

A

A

G

W

H

L

D

G

G

G

F

-

A

A

L

G

L

Q

G

T

V

P

Y
|
Y

S

S

A

S

T

A

K
|
K

F

A

A

G

V

V

R

V

A

G

L

M

T

T

Q

R

A

A

A

L

A

A

K

I

E

E

Y

L

A

G

S

R

R

A

G

G

I

I

T

T

V

V

N

N

A

C

Y

V

C

A

P

P

G

G

I

L

V

I

G

H

T

T

G

P

M

M

W

W

T

D

E

E

I

L

-

P

-

E

-

K

D

D

K

Q

R

Q

F

F

A

L

E

-

I

L

T

S

G

R

A

Q

P

P

V

T

G

G

E

K

T

-

Y

-

K

-

Y

-

V

-

E

-

G

-

I

-

A

-

L

L

G

G

R

E

A

-

E

-

T

-

P

P

D

D

V

I

A

A

S

N

L

T

V

L

S

L

Y

F

L

L

A

A

G

D

P

D

D

D

S

S

D

G

Y

F

V

V

T

T

G

G

Q

Q

S

V

I

L

L

Y

I

V

D

C

G

G

M1 (= M1) modified: Initiator methionine, Removed
S15 (≠ Q15) binding
D36 (= D36) binding
D62 (≠ N62) binding
I63 (= I63) binding
N89 (= N89) binding
Y153 (= Y155) binding
K157 (= K159) binding

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
37% identity, 99% coverage: 1:257/259 of query aligns to 4:246/247 of 7tzpG

query
sites
7tzpG

M

M

A

K

I

L

E

A

N

S

K

K

V

T

A

A

L

I

V

V

T

T

G
|
G

A

A

G

A

Q
x
R

G
|
G

I
|
I

G

G

R

F

G

G

I

I

A

A

L

Q

R

V

L

L

A

A

K

R

D

E

G

G

A

A

S

R

L

V

M

I

L

I

V

A

D
|
D

V
x
R

N

D

P

A

E

H

G

G

I

E

A

A

V

A

A

A

A

S

E

L

V

R

E

E

A

S

L

-

G

G

R

A

K

Q

A

A

A

L

T

F

F

I

V

S

A
x
C

N

N

I
|
I

A

A

D

E

R

K

A

T

Q

Q

V

V

Y

E

A

A

A

L

I

F

D

S

E

Q

A

A

E

E

K

E

Q

A

L

F

G

G

G

P

F

V

D

D

I

I

I

L

V

V

N

N

N
|
N

A

A

G
|
G

I
|
I

A

N

Q

R

V

D

Q

A

A

M

L

L

A

H

D

K

V

L

T

T

P

E

E

A

E

D

V

W

D

D

R

T

I

V

M

I

R

D

I
x
V

N

N

V

L

Q

K

G

G

T

T

L

F

W

L

G

C

I

M

Q

Q

A

Q

A

A

K

I

K

R

F

M

I

R

D

E

R

R

Q

-

Q

G

K

A

G

G

K

R

I

I

N

N

A

I

C

A

S

S

I

-

A

A

G

S

H

W

D

L

G

G

F

N

A

V

L

G

L

Q

G

T

V

N

Y
|
Y

S

S

A

A

T

S

K
|
K

F

A

A

G

V

V

R

V

A

G

L

M

T

T

Q

K

A

T

A

A

A

C

K

R

E

E

Y

L

A

A

S

K

R

K

G

G

I

V

T

T

V

V

N

N

A

A

Y

I

C

C

P

P

G

G

I

F

V
x
I

G

D

T
|
T

G

D

M

M

W

-

T

-

E

-

I

-

D

-

K

-

R

-

F

-

A

-

E

-

I
x
T

T

R

G

G

A

V

P

P

V

E

G

-

E

N

T

V

Y

W

K

Q

K

I

Y

M

V

V

E

S

G

K

I

I

A

P

L

A

G

G

R

Y

A

A

E

G

T

E

P

A

D

K

D

D

V

V

A

G

S

E

L

C

V

V

S

A

Y

F

L

L

A

A

G

S

P

D

D

G

S

A

D

R

Y

Y

V

I

T

N

G

G

Q

E

S

V

I

I

L

N

I

V

D

G

G

G

I

M

V

V

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G12), R18 (≠ Q15), G19 (= G16), I20 (= I17), D39 (= D36), R40 (≠ V37), C63 (≠ A61), I65 (= I63), N91 (= N89), G93 (= G91), I94 (= I92), V114 (≠ I112), Y155 (= Y155), K159 (= K159), I188 (≠ V188), T190 (= T190), T193 (≠ I203)

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
34% identity, 98% coverage: 3:255/259 of query aligns to 2:241/247 of 7pcsB

query
sites
7pcsB

I

I

E

Q

N

N

K

R

V

V

A

A

L

L

V

I

T

T

G
|
G

A

S

G

A

Q

S

G

G

I
x
M

G

G

R

K

G

Q

I

T

A

A

L

L

R

R

L

F

A

A

K

E

D

Q

G

G

A

A

S

A

L

V

M

V

L

I

V

N

D
|
D

V
x
I

N

D

P

A

E

E

G

K

I

V

A

R

A

A

V

T

A

V

A

D

E

E

V

F

E

S

A

A

L

R

G

G

R

H

K

R

A

V

A

L

T

G

F

A

V

V

A

A

N

D

I
|
I

A

G

D

N

R

K

A

A

Q

A

V

V

Y

D

A

G

A

M

I

V

D

K

E

Q

A

T

E

I

K

D

Q

A

L

F

G

G

G

R

F

I

D

D

I

I

I

L

V

V

N

N

N
|
N

A

A

G
|
G

I

M

A

E

Q

R

V

A

Q

G

A

A

L

L

A

R

D

K

V

L

T

S

P

E

E

A

E

D

V

W

D

D

R

V

I

T

M

I

R

N

I

V

N

N

V

L

Q

K

G

G

T

T

L

F

W

L

G

C

I

T

Q

Q

A

A

A

V

A

H

K

G

K

H

F

M

I

V

D

E

R

N

Q

K

Q

H

K

-

G

G

K

R

I

I

I

V

N

N

A
x
I

C

A

S
|
S

I

R

A

A

G

W

H

L

D

G

G

G

F

-

A

A

L

G

L

Q

G

T

V

P

Y
|
Y

S

S

A

S

T

A

K
|
K

F

A

A

G

V

V

R

V

A

G

L

M

T

T

Q

R

A

A

A

L

A

A

K

I

E

E

Y

L

A

G

S

R

R

A

G

G

I

I

T

T

V

V

N

N

A

C

Y

V

C

A

P

P

G

G

I

L

V
x
I

G

H

T

T

G

P

M

M

W

W

T

D

E

E

I

L

-

P

-

E

-

K

D

D

K

Q

R

Q

F

F

A

L

E

-

I

L

T

S

G

R

A

Q

P

P

V

T

G

G

E

K

T

-

Y

-

K

-

Y

-

V

-

E

-

G

-

I

-

A

-

L

L

G

G

R

E

A

-

E

-

T

-

P

P

D

D

V

I

A

A

S

N

L

T

V

L

S

L

Y

F

L

L

A

A

G

D

P

D

D

D

S

S

D

G

Y

F

V

V

T

T

G

G

Q

Q

S

V

I

L

L

Y

I

V

D

C

G

G

binding nicotinamide-adenine-dinucleotide: G11 (= G12), M16 (≠ I17), D35 (= D36), I36 (≠ V37), I62 (= I63), N88 (= N89), G90 (= G91), I138 (≠ A140), S140 (= S142), Y152 (= Y155), K156 (= K159), I185 (≠ V188)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
34% identity, 98% coverage: 3:257/259 of query aligns to 5:243/244 of 4nbuB

query
sites
4nbuB

I

L

E

Q

N

D

K

K

V

V

A

A

L

I

V

I

T

T

G
|
G

A

A

G

A

Q
x
N

G
|
G

I
|
I

G

G

R

L

G

E

I

A

A

A

L

R

R

V

L

F

A

M

K

K

D

E

G

G

A

A

S

K

L

V

M

V

L

I

V

A

D
|
D

V
x
F

N

N

P

E

E

-

G

-

I

-

A

A

V

G

A

K

A

E

E

A

V

V

E

E

A

A

L

-

G

-

R

N

K

P

A

G

A

V

T

V

F

F

V

I

-

R

A
x
V

N
x
D

I
x
V

A

S

D

D

R

R

A

E

Q

S

V

V

Y

H

A

R

A

L

I

V

D

E

E

N

A

V

E

A

K

E

Q

R

L

F

G

G

G

K

F

I

D

D

I

I

I

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

A

T

Q

R

V
x
D

Q

S

A

M

L

L

A

S

D
x
K

V

M

T

T

P

V

E

D

E

Q

V

F

D

Q

R

Q

I

V

M

I

R

N

I

V

N
|
N

V

L

Q

T

G

G

T

V

L

F

W

H

G

C

I

T

Q

Q

A

A

A

V

A

L

K

P

K

-

F

Y

I

M

D

A

R

E

Q

Q

Q

G

K

K

G

G

K

K

I

I

N

N

A
x
T

C

S

S
|
S

I

V

A

T

G

G

H

T

D

Y

G

G

F
x
N

A
x
V

L

G

L
x
Q

G

T

V

N

Y
|
Y

S

A

A

A

T

A

K
|
K

F

A

A

G

V

V

R

I

A

G

L

M

T

T

Q

K

A

T

A

W

A

A

K

K

E

E

Y

L

A

A

S

R

R

K

G

G

I

I

T

N

V

V

N

N

A

A

Y

V

C

A

P
|
P

G

G

I
x
F

V
x
T

G

E

T
|
T

G

A

M
|
M

W

V

T

A

E

E

I

V

D

P

K

E

R

K

F

V

A

I

E

E

I
x
K

T

M

G

K

A

A

P

Q

V

V

G

-

E

-

T

-

Y

-

K

-

Y

-

V

-

E

-

G

-

I

-

A

P

L

M

G

G

R

R

A

L

E

G

T

K

P

P

D

E

D

D

V

I

A

A

S

N

L

A

V

Y

S

L

Y

F

L

L

A

A

G

S

P

H

D

E

S

S

D

D

Y

Y

V

V

T

N

G

G

Q

H

S

V

I

L

L

H

I

V

D

D

G

G

I

I

V

M

active site: G18 (= G16), N111 (= N113), S139 (= S142), Q149 (≠ L152), Y152 (= Y155), K156 (= K159)
binding acetoacetyl-coenzyme a: D93 (≠ V95), K98 (≠ D100), S139 (= S142), N146 (≠ F149), V147 (≠ A150), Q149 (≠ L152), Y152 (= Y155), F184 (≠ I187), M189 (= M192), K200 (≠ I203)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G12), N17 (≠ Q15), G18 (= G16), I19 (= I17), D38 (= D36), F39 (≠ V37), V59 (≠ A61), D60 (≠ N62), V61 (≠ I63), N87 (= N89), A88 (= A90), G89 (= G91), I90 (= I92), T137 (≠ A140), S139 (= S142), Y152 (= Y155), K156 (= K159), P182 (= P185), F184 (≠ I187), T185 (≠ V188), T187 (= T190), M189 (= M192)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
34% identity, 99% coverage: 1:256/259 of query aligns to 4:240/243 of 4i08A

query
sites
4i08A

M

M

A

N

I

L

E

E

N

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

R

K

G

A

I

I

A

A

L

E

R

L

L

L

A

A

K

E

D

R

G

G

A

A

S

K

L

V

M

I

L

G

V

T

D

A

V
x
T

N

S

P

E

E

S

G

G

I

A

A

Q

A

A

V

I

A

S

A

-

E

-

V

-

E

D

A

Y

L

L

G

G

R

D

K

N

A

G

A

K

T

G

F

M

V

A

A

L

N
|
N

I
x
V

A

T

D

N

R

P

A

E

Q

S

V

I

Y

E

A

A

A

V

I

L

D

K

E

A

A

I

E

T

K

D

Q

E

L

F

G

G

F

V

D

D

I

I

I

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

T

Q

R

V

D

Q

N

A

L

L

L

A

M

D

R

V

M

T

K

P

E

E

E

V

W

D

S

R

D

I

I

M

M

R

E

I

T

N
|
N

V

L

Q

T

G

-

T

S

L

I

W

F

G

R

I

L

Q

S

A

K

A

A

A

V

K

L

K

R

F

G

I

M

D

M

R

K

Q

K

Q

R

K

Q

G

G

K

R

I

I

N

N

A

V

C
x
G

S
|
S

I

V

A

V

G

G

H

T

D

M

G

G

F

N

A

A

L

G

L
x
Q

G

A

V

N

Y
|
Y

S

A

A

A

T

A

K
|
K

F

A

A

G

V

V

R

I

A

G

L

F

T

T

Q

K

A

S

A

M

A

A

K

R

E

E

Y

V

A

A

S

S

R

R

G

G

I

V

T

T

V

V

N

N

A

T

Y

V

C

A

P
|
P

G
|
G

I

F

V

I

G

E

T
|
T

G

D

M

M

W

N

T

D

E

E

I

-

D

-

K

Q

R

R

F

T

A

A

E

T

I

L

T

A

G

Q

A

V

P

P

V

A

G

-

E

-

T

-

Y

-

K

-

Y

-

V

-

E

-

G

-

I

-

A

-

L

-

G

G

R

R

A

L

E

G

T

D

P

P

D

R

D

E

V

I

A

A

S

S

L

A

V

V

S

A

Y

F

L

L

A

A

G

S

P

P

D

E

S

A

D

A

Y

Y

V

I

T

T

G

G

Q

E

S

T

I

L

L

H

I

V

D

N

G

G

I

M

active site: G19 (= G16), N113 (= N113), S141 (= S142), Q151 (≠ L152), Y154 (= Y155), K158 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (≠ G14), R18 (≠ Q15), I20 (= I17), T40 (≠ V37), N62 (= N62), V63 (≠ I63), N89 (= N89), A90 (= A90), G140 (≠ C141), S141 (= S142), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), T189 (= T190)

4cqlI Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD (see paper)
34% identity, 98% coverage: 3:256/259 of query aligns to 6:249/251 of 4cqlI

query
sites
4cqlI

I

L

E

R

N

S

K

A

V

L

A

A

L

L

V

V

T

T

G

G

A

A

G

G

Q
x
S

G
|
G

I
|
I

G

G

R

R

G

A

I

V

A

S

L

V

R

R

L

L

A

A

K

G

D

E

G

G

A

A

S

T

L

V

M

A

L

A

V

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active site: G19 (= G16), S146 (= S142), Y159 (= Y155), K163 (= K159)
binding nicotinamide-adenine-dinucleotide: S18 (≠ Q15), G19 (= G16), I20 (= I17), D39 (= D36), L40 (≠ V37), A64 (= A64), D65 (= D65), V66 (≠ R66), C93 (≠ N89), A94 (= A90), G95 (= G91), I96 (= I92), V116 (≠ I112), I144 (≠ A140), S146 (= S142), Y159 (= Y155), K163 (= K159), P189 (= P185), G190 (= G186), I192 (≠ V188), T194 (= T190), M196 (= M192)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
33% identity, 99% coverage: 1:256/259 of query aligns to 4:244/247 of 3op4A

query
sites
3op4A

M

M

A

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E

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K

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (≠ G14), R18 (≠ Q15), I20 (= I17), T40 (≠ V37), N62 (= N62), V63 (≠ I63), N89 (= N89), A90 (= A90), I92 (= I92), V139 (≠ A140), S141 (= S142), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), I187 (≠ V188), T189 (= T190), M191 (= M192)

Query Sequence

>BWI76_RS23630 BWI76_RS23630 acetoin(diacetyl) reductase
MAIENKVALVTGAGQGIGRGIALRLAKDGASLMLVDVNPEGIAAVAAEVEALGRKAATFV
ANIADRAQVYAAIDEAEKQLGGFDIIVNNAGIAQVQALADVTPEEVDRIMRINVQGTLWG
IQAAAKKFIDRQQKGKIINACSIAGHDGFALLGVYSATKFAVRALTQAAAKEYASRGITV
NAYCPGIVGTGMWTEIDKRFAEITGAPVGETYKKYVEGIALGRAETPDDVASLVSYLAGP
DSDYVTGQSILIDGGIVYR

Or try a new SitesBLAST search

SitesBLAST's Database

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

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory