SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011384968.1 NCBI__GCF_000009985.1:WP_011384968.1 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)

3sjuA Hedamycin polyketide ketoreductase bound to NADPH (see paper)
42% identity, 95% coverage: 12:253/256 of query aligns to 3:251/255 of 3sjuA

query
sites
3sjuA

A

A

L

F

V

V

T

T

G
|
G

G

V

G

S

R
x
S

G
|
G

I

I

G

G

A

L

A

A

I

V

A

A

R

R

Q

T

M

L

L

A

A

A

L

R

G

G

A

I

V

A

V

V

T

Y

I

G

T

C

G
x
A

R
|
R

D
|
D

Q

A

G

K

R

N

L

V

D

S

A

A

A

A

A

V

T

D

S

G

L

L

-

R

-

A

-

A

-

G

-

H

G

D

C

V

S

D

A

G

V

S

A

S

M
x
C

D
|
D

V
|
V

T

T

D

S

A

T

P

D

A

E

I

V

Q

H

N

A

G

A

F

V

A

A

R

A

A

A

A

V

Q

E

V

R

Q

F

G

G

P

P

I

I

T

G

I

I

L

L

V

V

N

N

N
x
S

A
|
A

G
|
G

I

R

A

N

K

G

A

G

A

G

P

E

F

T

A

A

K

D

T

L

D

D

L

D

G

A

L

L

W

W

D

A

D

D

I

V

L

L

R

D

T

T

D

N

L

L

T

T

G

G

A

V

F

F

L

R

C

V

T

T

Q

R

A

E

A

V

L

L

P

R

-

A

-

G

G

G

M

M

L

R

E

E

A

A

G

G

W

W

G

G

R

R

V

I

V

V

N

N

V
x
I

A

A

S
|
S

T

T

A

G

G

G

L

K

T

Q

G

G

L

V

A

M

Y

Y

C

A

A

A

A

P

Y
|
Y

C

T

A

A

A

S

K
|
K

H

H

G

G

L

V

I

V

G

G

L

F

T

T

R

K

A

S

L

V

A

G

V

F

E

E

L

L

A

A

S

K

K

T

P

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y
|
Y

T
x
V

E

E

T
|
T

D

P

I
x
M

V

A

A

E

D

R

T

V

I

R

A

E

N

G

I
x
Y

V

A

A

R

K

H

T

W

G

G

R

V

T

T

P

E

E

Q

E

E

A

V

L

H

A

E

G

R

L

F

V

N

A

A

A

K

N

I

P

P

Q

L

K

G

R

R

L

Y

I

S

K

T

P

P

E

E

E

E

V

V

A

A

E

G

A

L

V

V

A

G

W

Y

L

L

C

V

L

T

P

D

G

A

S

A

A

A

S

S

I

I

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G11 (= G20), S138 (= S140), Y151 (= Y153), K155 (= K157), Y196 (≠ I198)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G16), S10 (≠ R19), A31 (≠ G40), R32 (= R41), D33 (= D42), C56 (≠ M60), D57 (= D61), V58 (= V62), S84 (≠ N88), A85 (= A89), G86 (= G90), I136 (≠ V138), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), Y183 (= Y185), V184 (≠ T186), T186 (= T188), M188 (≠ I190)

2rh4B Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
41% identity, 95% coverage: 12:253/256 of query aligns to 16:264/268 of 2rh4B

query
sites
2rh4B

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

Q

R

M

L

L

G

A

K

L

E

G

G

A

L

V

R

V

V

T

F

I

V

T

C

G
x
A

R
|
R

D
x
G

Q

E

G

E

R

G

L

L

D

R

A

T

A

T

A

L

T

K

S

E

L

L

G

R

C

E

S

A

A

G

V

V

-

E

-

A

-

D

-

G

-

R

A

T

M
x
C

D
|
D

V
|
V

T

R

D

S

A

V

P

P

A

E

I

I

Q

E

N

A

G

L

F

V

A

A

R

A

A

V

A

V

Q

E

V

R

Q

Y

G

G

P

P

I

V

T

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

R

A

P

K

G

A

G

A

G

P

A

F

T

A

A

K

E

T

L

D

A

L

D

G

E

L

L

W

W

D

L

D

D

I

V

L

V

R

E

T

T

D
x
N

L

L

T

T

G

G

A

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

G

G

M

M

L

L

E

E

A

R

G

G

W

T

G

G

R

R

V

I

V

V

N

N

V

I

A

A

S
|
S

T

T

A

G

G

G

L

K

T

Q

G

G

L

V

A

V

Y

H

C

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

L

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

V

L

E

E

L

L

A

A

S

R

K

T

P

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G
|
G

Y

F

T
x
V

E

E

T
|
T

D

P

I
x
M

V

A

A

A

D

S

T

V

I

R

A

E

N

H

I
x
Y

V

S

A

D

K

I

T

W

G

E

R

V

T

S

P

T

E

E

E

E

A

A

L

F

A

D

G

R

L

I

V

T

A

A

A

R

N

V

P

P

Q

I

K

G

R

R

L

Y

I

V

K

Q

P

P

E

S

E

E

V

V

A

A

E

E

A

M

V

V

A

A

W

Y

L

L

C

I

L

G

P

P

G

G

S

A

A

A

S

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G24 (= G20), N121 (≠ D112), S151 (= S140), Y164 (= Y153), K168 (= K157), Y209 (≠ I198)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G16), T22 (≠ G18), S23 (≠ R19), I25 (= I21), A44 (≠ G40), R45 (= R41), G46 (≠ D42), C69 (≠ M60), D70 (= D61), V71 (= V62), N97 (= N88), S151 (= S140), Y164 (= Y153), K168 (= K157), G195 (= G184), V197 (≠ T186), T199 (= T188), M201 (≠ I190)

P16544 Putative ketoacyl reductase; EC 1.3.1.- from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see 2 papers)
41% identity, 95% coverage: 12:253/256 of query aligns to 9:257/261 of P16544

query
sites
P16544

A

A

L

L

V
|
V

T
|
T

G
|
G

G
x
A

G
x
T

R
x
S

G
|
G

I
|
I

G
|
G

A
x
L

A
x
E

I
|
I

A
|
A

R
|
R

Q
x
R

M
x
L

L
x
G

A
x
K

L
x
E

G
|
G

A
x
L

V
x
R

V
|
V

T
x
F

I
x
V

T
x
C

G
x
A

R
|
R

D
x
G

Q

E

G

E

R

G

L

L

D

R

A

T

A

T

A

L

T

K

S

E

L

L

G

R

C

E

S

A

A

G

V

V

-

E

-

A

-

D

-

G

-

R

A

T

M

C

D
|
D

V

V

T

R

D

S

A

V

P

P

A

E

I

I

Q

E

N

A

G

L

F

V

A

A

R

A

A

V

A

V

Q

E

V

R

Q

Y

G

G

P

P

I

V

T

D

I

V

L

L

V

V

N

N

N

N

A

A

G

G

I

R

A

P

K

G

A

G

A

G

P

A

F

T

A

A

K

E

T

L

D

A

L

D

G

E

L

L

W

W

D

L

D

D

I

V

L

V

R

E

T

T

D

N

L

L

T

T

G

G

A

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

G

G

M

M

L

L

E

E

A

R

G

G

W

T

G

G

R

R

V

I

V

V

N

N

V

I

A

A

S

S

T

T

A

G

G

G

L

K

T

Q

G

G

L

V

A

V

Y

H

C

A

A

A

A

P

Y

Y

C

S

A

A

A

S

K
|
K

H

H

G

G

L

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

V

L

E

E

L

L

A

A

S

R

K

T

P

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G

G

Y

F

T

V

E

E

T

T

D

P

I

M

V

A

A

A

D

S

T

V

I

R

A

E

N

H

I

Y

V

S

A

D

K

I

T

W

G

E

R

V

T

S

P

T

E

E

E

E

A

A

L

F

A

D

G

R

L

I

V

T

A

A

A

R

N

V

P

P

Q

I

K

G

R

R

L

Y

I

V

K

Q

P

P

E

S

E

E

V

V

A

A

E

E

A

M

V

V

A

A

W

Y

L

L

C

I

L

G

P

P

G

G

S

A

A

A

S

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

11:39 (vs. 14:42, 41% identical) binding
D63 (= D61) binding
K161 (= K157) binding

1xr3A Actinorhodin polyketide ketoreductase with NADP and the inhibitor isoniazid bound (see paper)
41% identity, 95% coverage: 12:253/256 of query aligns to 4:252/256 of 1xr3A

query
sites
1xr3A

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

Q

R

M

L

L

G

A

K

L

E

G

G

A

L

V

R

V

V

T

F

I

V

T

C

G
x
A

R
|
R

D
x
G

Q

E

G

E

R

G

L

L

D

R

A

T

A

T

A

L

T

K

S

E

L

L

G

R

C

E

S

A

A

G

V

V

-

E

-

A

-

D

-

G

-

R

A

T

M
x
C

D
|
D

V
|
V

T

R

D

S

A

V

P

P

A

E

I

I

Q

E

N

A

G

L

F

V

A

A

R

A

A

V

A

V

Q

E

V

R

Q

Y

G

G

P

P

I

V

T

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

R

A

P

K

G

A

G

A

G

P

A

F

T

A

A

K

E

T

L

D

A

L

D

G

E

L

L

W

W

D

L

D

D

I

V

L

V

R

E

T

T

D
x
N

L

L

T

T

G

G

A

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

G

G

M

M

L

L

E

E

A

R

G

G

W

T

G

G

R

R

V

I

V

V

N

N

V

I

A

A

S
|
S

T
|
T

A
x
G

G

G

L

K

T

Q

G

G

L
x
V

A

V

Y

H

C

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

L

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

V

L

E

E

L

L

A

A

S

R

K

T

P

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G
|
G

Y

F

T
x
V

E

E

T
|
T

D
x
P

I

M

V

A

A

A

D

S

T

V

I

R

A

E

N

H

I
x
Y

V

S

A

D

K

I

T

W

G

E

R

V

T

S

P

T

E

E

E

E

A

A

L

F

A

D

G

R

L

I

V

T

A

A

A

R

N

V

P

P

Q

I

K

G

R

R

L

Y

I

V

K

Q

P

P

E

S

E

E

V

V

A

A

E

E

A

M

V

V

A

A

W

Y

L

L

C

I

L

G

P

P

G

G

S

A

A

A

S

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G12 (= G20), N109 (≠ D112), S139 (= S140), Y152 (= Y153), K156 (= K157), Y197 (≠ I198)
binding 4-(diazenylcarbonyl)pyridine: T140 (= T141), G141 (≠ A142), V146 (≠ L147)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G16), T10 (≠ G18), S11 (≠ R19), G12 (= G20), I13 (= I21), A32 (≠ G40), R33 (= R41), G34 (≠ D42), C57 (≠ M60), D58 (= D61), V59 (= V62), N85 (= N88), A86 (= A89), G87 (= G90), S139 (= S140), Y152 (= Y153), K156 (= K157), G183 (= G184), V185 (≠ T186), T187 (= T188), P188 (≠ D189)

2rh4A Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
41% identity, 95% coverage: 12:253/256 of query aligns to 5:253/257 of 2rh4A

query
sites
2rh4A

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

Q

R

M

L

L

G

A

K

L

E

G

G

A

L

V

R

V

V

T

F

I

V

T

C

G
x
A

R
|
R

D
x
G

Q

E

G

E

R

G

L

L

D

R

A

T

A

T

A

L

T

K

S

E

L

L

G

R

C

E

S

A

A

G

V

V

-

E

-

A

-

D

-

G

-

R

A

T

M
x
C

D
|
D

V
|
V

T

R

D

S

A

V

P

P

A

E

I

I

Q

E

N

A

G

L

F

V

A

A

R

A

A

V

A

V

Q

E

V

R

Q

Y

G

G

P

P

I

V

T

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

R

A

P

K

G

A

G

A

G

P

A

F

T

A

A

K

E

T

L

D

A

L

D

G

E

L

L

W

W

D

L

D

D

I

V

L

V

R

E

T

T

D
x
N

L

L

T

T

G

G

A

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

G

G

M

M

L

L

E

E

A

R

G

G

W

T

G

G

R

R

V

I

V

V

N

N

V

I

A

A

S
|
S

T
|
T

A

G

G

G

L

K

T
x
Q

G

G

L
x
V

A

V

Y

H

C

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

L

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

V

L

E

E

L

L

A

A

S

R

K

T

P

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y
x
F

T
x
V

E

E

T
|
T

D

P

I
x
M

V

A

A

A

D

S

T

V

I

R

A

E

N

H

I
x
Y

V

S

A

D

K

I

T

W

G

E

R

V

T

S

P

T

E

E

E

E

A

A

L

F

A

D

G

R

L

I

V

T

A

A

A

R

N

V

P

P

Q

I

K

G

R

R

L

Y

I

V

K

Q

P

P

E

S

E

E

V

V

A

A

E

E

A

M

V

V

A

A

W

Y

L

L

C

I

L

G

P

P

G

G

S

A

A

A

S

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G13 (= G20), N110 (≠ D112), S140 (= S140), Y153 (= Y153), K157 (= K157), Y198 (≠ I198)
binding 3-methyl-1,6,8-trihydroxyanthraquinone: T141 (= T141), Q145 (≠ T145), V147 (≠ L147), Y153 (= Y153), F185 (≠ Y185)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G16), T11 (≠ G18), S12 (≠ R19), G13 (= G20), I14 (= I21), A33 (≠ G40), R34 (= R41), G35 (≠ D42), C58 (≠ M60), D59 (= D61), V60 (= V62), N86 (= N88), G88 (= G90), S140 (= S140), Y153 (= Y153), K157 (= K157), P183 (= P183), G184 (= G184), V186 (≠ T186), T188 (= T188), M190 (≠ I190)

Sites not aligning to the query:

binding 3-methyl-1,6,8-trihydroxyanthraquinone: 254

1w4zA Structure of actinorhodin polyketide (actiii) reductase (see paper)
41% identity, 95% coverage: 12:253/256 of query aligns to 7:255/259 of 1w4zA

query
sites
1w4zA

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

R

Q

R

M

L

L

G

A

K

L

E

G

G

A

L

V

R

V

V

T

F

I

V

T

C

G

A

R
|
R

D
x
G

Q

E

G

E

R

G

L

L

D

R

A

T

A

T

A

L

T

K

S

E

L

L

G

R

C

E

S

A

A

G

V

V

-

E

-

A

-

D

-

G

-

R

A

T

M

C

D
|
D

V
|
V

T

R

D

S

A

V

P

P

A

E

I

I

Q

E

N

A

G

L

F

V

A

A

R

A

A

V

A

V

Q

E

V

R

Q

Y

G

G

P

P

I

V

T

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

R

A

P

K

G

A

G

A

G

P

A

F

T

A

A

K

E

T

L

D

A

L

D

G

E

L

L

W

W

D

L

D

D

I

V

L

V

R

E

T

T

D
x
N

L

L

T

T

G

G

A

V

F

F

L

R

C

V

T

T

Q

K

A

Q

A

V

L

L

P

K

-

A

-

G

G

G

M

M

L

L

E

E

A

R

G

G

W

T

G

G

R

R

V

I

V

V

N

N

V

I

A

A

S
|
S

T

T

A

G

G

G

L

K

T

Q

G

G

L

V

A

V

Y

H

C

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

L

V

I

V

G

G

L

F

T

T

R

K

A

A

L

L

A

G

V

L

E

E

L

L

A

A

S

R

K

T

P

G

V

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y

F

T
x
V

E

E

T
|
T

D

P

I

M

V

A

A

A

D

S

T

V

I

R

A

E

N

H

I
x
Y

V

S

A

D

K

I

T

W

G

E

R

V

T

S

P

T

E

E

E

E

A

A

L

F

A

D

G

R

L

I

V

T

A

A

A

R

N

V

P

P

Q

I

K

G

R

R

L

Y

I

V

K

Q

P

P

E

S

E

E

V

V

A

A

E

E

A

M

V

V

A

A

W

Y

L

L

C

I

L

G

P

P

G

G

S

A

A

A

S

A

I

V

T

T

G

A

Q

Q

S

A

I

L

A

N

V

V

A

C

G

G

G

G

active site: G15 (= G20), N112 (≠ D112), S142 (= S140), Y155 (= Y153), K159 (= K157), Y200 (≠ I198)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), T13 (≠ G18), S14 (≠ R19), G15 (= G20), I16 (= I21), R36 (= R41), G37 (≠ D42), D61 (= D61), V62 (= V62), N88 (= N88), G90 (= G90), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), V188 (≠ T186), T190 (= T188)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
36% identity, 96% coverage: 7:253/256 of query aligns to 5:257/261 of 6zzsD

query
sites
6zzsD

L

L

A

D

G

G

R

K

H

V

A

A

L

F

V

I

T

T

G
|
G

G

S

G

A

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

K

Q

K

M

F

L

A

A

Q

L

E

G

G

A

A

V

K

V

V

T

V

I

I

T

S

G
x
D

R
x
M

D

N

Q

A

G

E

R

K

L

C

D

Q

A

E

A

T

A

A

T

N

S

S

L

L

-

K

-

E

-

Q

G

G

C

F

S

D

A

A

V

L

A

S

M

A

-

P

-

C

D
|
D

V
|
V

T

T

D

D

A

E

P

D

A

A

I

Y

Q

K

N

Q

G

A

F

I

A

E

R

L

A

T

A

Q

Q

K

V

T

Q

F

G

G

P

T

I

V

T

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

A
x
Q

K

H

A

V

A

A

P

P

F

I

A

E

K

E

T

F

D

P

L

T

G

A

L

V

W

F

D

Q

D

K

I

L

L

V

R

Q

T

V

D

M

L

L

T

T

G

G

A

A

F

F

L

I

C

G

T

I

Q

K

A

H

A

V

L

L

P

P

G

I

M

M

L

K

E

A

A

Q

G

K

W

Y

G

G

R

R

V

I

V

I

N

N

V
x
M

A
|
A

S
|
S

T

I

A
x
N

G

G

L

L

T

I

G

G

L

F

A

A

Y

G

C
x
K

A

A

A

G

Y
|
Y

C

N

A

S

A

A

K
|
K

H

H

G

G

L

V

I

I

G

G

L

L

T

T

R

K

A

V

L

A

A

A

V

L

E

E

L

C

A

A

S

R

K

D

P

G

V

I

T

T

V

V

N

N

A

A

V

L

C

C

P
|
P

G
|
G

Y

Y

T
x
V

E

D

T
|
T

D

P

I
x
L

V

V

A

R

D

G

T
x
Q

I

I

A

A

N

D

I

L

V

A

A

K

K

T

T

R

G

N

R

V

T

S

P

L

E

D

E

S

A

A

L

L

A

E

G

D

L

V

V

I

A

L

A

A

N

M

-

V

P

P

Q

Q

K

K

R

R

L

L

I

L

K

S

P

V

E

E

E

E

V

I

A

A

E

D

A

Y

V

A

A

I

W

F

L

L

C

A

L

S

P

S

G

K

S

A

A

G

S

G

I

V

T

T

G

G

Q

Q

S

A

I

V

A

V

V

M

A

D

G

G

G

G

active site: G18 (= G20), S143 (= S140), Y156 (= Y153)
binding nicotinamide-adenine-dinucleotide: G14 (= G16), S17 (≠ R19), I19 (= I21), D38 (≠ G40), M39 (≠ R41), D64 (= D61), V65 (= V62), N91 (= N88), A92 (= A89), G93 (= G90), M141 (≠ V138), A142 (= A139), S143 (= S140), Y156 (= Y153), K160 (= K157), P186 (= P183), G187 (= G184), V189 (≠ T186), T191 (= T188), L193 (≠ I190)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ A92), S143 (= S140), N145 (≠ A142), K153 (≠ C150), Y156 (= Y153), Q197 (≠ T194)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
36% identity, 96% coverage: 7:253/256 of query aligns to 4:256/260 of 6zzqA

query
sites
6zzqA

L

L

A

D

G

G

R

K

H

V

A

A

L

F

V

I

T

T

G
|
G

G

S

G

A

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

R

K

Q

K

M

F

L

A

A

Q

L

E

G

G

A

A

V

K

V

V

T

V

I

I

T

S

G
x
D

R
x
M

D

N

Q

A

G

E

R

K

L

C

D

Q

A

E

A

T

A

A

T

N

S

S

L

L

-

K

-

E

-

Q

G

G

C

F

S

D

A

A

V

L

A

S

M

A

-

P

-

C

D
|
D

V
|
V

T

T

D

D

A

E

P

D

A

A

I

Y

Q

K

N

Q

G

A

F

I

A

E

R

L

A

T

A

Q

Q

K

V

T

Q

F

G

G

P

T

I

V

T

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

A
x
Q

K

H

A

V

A

A

P

P

F

I

A

E

K

E

T

F

D

P

L

T

G

A

L

V

W

F

D

Q

D

K

I

L

L

V

R

Q

T

V

D

M

L

L

T

T

G

G

A

A

F

F

L

I

C

G

T

I

Q

K

A

H

A

V

L

L

P

P

G

I

M

M

L

K

E

A

A

Q

G

K

W

Y

G

G

R

R

V

I

V

I

N

N

V
x
M

A
|
A

S
|
S

T

I

A

N

G

G

L

L

T

I

G

G

L

F

A

A

Y

G

C
x
K

A

A

A

G

Y
|
Y

C

N

A

S

A

A

K
|
K

H

H

G

G

L

V

I

I

G

G

L

L

T

T

R

K

A

V

L

A

A

A

V

L

E

E

L

C

A

A

S

R

K

D

P

G

V

I

T

T

V

V

N

N

A

A

V

L

C

C

P

P

G

G

Y
|
Y

T
x
V

E

D

T
|
T

D

P

I

L

V

V

A

R

D

G

T
x
Q

I

I

A

A

N

D

I

L

V

A

A

K

K

T

T

R

G

N

R

V

T

S

P

L

E

D

E

S

A

A

L

L

A

E

G

D

L

V

V

I

A

L

A

A

N

M

-

V

P

P

Q

Q

K

K

R

R

L

L

I

L

K

S

P

V

E

E

E

E

V

I

A

A

E

D

A

Y

V

A

A

I

W

F

L

L

C

A

L

S

P

S

G

K

S

A

A

G

S

G

I

V

T

T

G

G

Q

Q

S

A

I

V

A

V

V

M

A

D

G

G

G

G

active site: G17 (= G20), S142 (= S140), Y155 (= Y153)
binding acetoacetic acid: Q94 (≠ A92), S142 (= S140), K152 (≠ C150), Y155 (= Y153), Q196 (≠ T194)
binding nicotinamide-adenine-dinucleotide: G13 (= G16), S16 (≠ R19), G17 (= G20), I18 (= I21), D37 (≠ G40), M38 (≠ R41), D63 (= D61), V64 (= V62), N90 (= N88), A91 (= A89), G92 (= G90), M140 (≠ V138), A141 (= A139), S142 (= S140), Y155 (= Y153), K159 (= K157), Y187 (= Y185), V188 (≠ T186), T190 (= T188)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
37% identity, 96% coverage: 7:253/256 of query aligns to 2:256/260 of 5b4tA

query
sites
5b4tA

L

L

A

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G
x
T

R

S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

Q

E

M

L

L

A

A

K

L

A

G

G

A

A

V

D

V

V

T

V

I

I

T

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

Q

R

G

S

R

T

L

L

D

E

A

-

A

-

A

-

T

S

S

K

L

F

G

G

C

V

S

K

A

A

V

Y

A

Y

M

L

-

N

-

A

D
|
D

V
x
L

T

S

D

D

A

A

P

Q

A

A

I

T

Q

R

N

D

G

F

F

I

A

A

R

K

A

A

A

A

Q

E

V

A

Q

L

G

G

P

G

I

L

T

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

A
x
Q

K

H

A

T

A

A

P

P

F

I

A

E

K

E

T

F

D

P

L

V

G

D

L

K

W

W

D

N

D

A

I

I

L

I

R

A

T
x
L

D
x
N

L

L

T

S

G

A

A

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

G

I

M

M

L

Q

E

K

A

Q

G

G

W

W

G

G

R

R

V

I

V

I

N

N

V
x
I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

T

V

G

A

L

S

A

V

Y

N

C
x
K

A

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

L

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

V

L

E

E

L

N

A

A

S

G

K

K

P

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

A

E

D

K

T
x
Q

I

I

A

E

N

A

I
|
I

V

S

A

Q

K

Q

T

K

G

G

R

I

T

D

P

I

E

E

E

A

A

A

L

A

A

R

G

E

L

L

V

L

A

A

-

E

A

K

N

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

K

T

P

P

E

E

E

Q

V

L

A

G

E

G

A

A

V

A

A

V

W

F

L

L

C

S

L

S

P

A

G

A

S

A

A

D

S

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (≠ D112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (= I198)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ A92), S142 (= S140), H144 (≠ A142), K152 (≠ C150), Y155 (= Y153), W187 (≠ Y185), Q196 (≠ T194)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (≠ G18), G15 (= G20), I16 (= I21), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), G92 (= G90), L113 (≠ T111), I140 (≠ V138), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (≠ Y185), V188 (≠ T186), T190 (= T188), L192 (≠ I190), V193 (= V191)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
37% identity, 96% coverage: 7:253/256 of query aligns to 2:256/260 of 3w8dA

query
sites
3w8dA

L

L

A

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G
x
T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

Q

E

M

L

L

A

A

K

L

A

G

G

A

A

V

D

V

V

T

V

I

I

T

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

Q

R

G

S

R

T

L

L

D

E

A

-

A

-

A

-

T

S

S

K

L

F

G

G

C

V

S

K

A

A

V

Y

A

Y

M

L

-

N

-
x
A

D
|
D

V
x
L

T

S

D

D

A

A

P

Q

A

A

I

T

Q

R

N

D

G

F

F

I

A

A

R

K

A

A

A

A

Q

E

V

A

Q

L

G

G

P

G

I

L

T

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

A
x
Q

K

H

A

T

A

A

P

P

F

I

A

E

K

E

T

F

D

P

L

V

G

D

L

K

W

W

D

N

D

A

I

I

L

I

R

A

T
x
L

D
x
N

L

L

T

S

G

A

A

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

G

I

M

M

L

Q

E

K

A

Q

G

G

W

W

G

G

R

R

V

I

V

I

N

N

V

I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

T

V

G

A

L

S

A

V

Y

N

C
x
K

A

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

L

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

V

L

E

E

L

N

A

A

S

G

K

K

P

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

A

E

D

K

T
x
Q

I

I

A

E

N

A

I
|
I

V

S

A

Q

K

Q

T

K

G

G

R

I

T

D

P

I

E

E

E

A

A

A

L

A

A

R

G

E

L

L

V

L

A

A

-

E

A

K

N

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

K

T

P

P

E

E

E

Q

V

L

A

G

E

G

A

A

V

A

A

V

W

F

L

L

C

S

L

S

P

A

G

A

S

A

A

D

S

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (≠ D112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (= I198)
binding methylmalonic acid: Q94 (≠ A92), S142 (= S140), H144 (≠ A142), K152 (≠ C150), Y155 (= Y153), W187 (≠ Y185), Q196 (≠ T194)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (≠ G18), S14 (≠ R19), G15 (= G20), I16 (= I21), F36 (vs. gap), A62 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ T111), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (≠ Y185), V188 (≠ T186), T190 (= T188), L192 (≠ I190), V193 (= V191)

Sites not aligning to the query:

binding methylmalonic acid: 257

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
37% identity, 96% coverage: 7:253/256 of query aligns to 2:256/260 of 3vdrA

query
sites
3vdrA

L

L

A

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G
x
T

R

S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

Q

E

M

L

L

A

A

K

L

A

G

G

A

A

V

D

V

V

T

V

I

I

T

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

Q

R

G

S

R

T

L

L

D

E

A

-

A

-

A

-

T

S

S

K

L

F

G

G

C

V

S

K

A

A

V

Y

A

Y

M

L

-

N

-

A

D
|
D

V
x
L

T

S

D

D

A

A

P

Q

A

A

I

T

Q

R

N

D

G

F

F

I

A

A

R

K

A

A

A

A

Q

E

V

A

Q

L

G

G

P

G

I

L

T

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

A
x
Q

K

H

A

T

A

A

P

P

F

I

A

E

K

E

T

F

D

P

L

V

G

D

L

K

W

W

D

N

D

A

I

I

L

I

R

A

T
x
L

D
x
N

L

L

T

S

G

A

A

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

G

I

M

M

L

Q

E

K

A

Q

G

G

W

W

G

G

R

R

V

I

V

I

N

N

V

I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

T

V

G

A

L

S

A

V

Y

N

C
x
K

A

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

L

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

V

L

E

E

L

N

A

A

S

G

K

K

P

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P

P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

A

E

D

K

T
x
Q

I

I

A

E

N

A

I
|
I

V

S

A

Q

K

Q

T

K

G

G

R

I

T

D

P

I

E

E

E

A

A

A

L

A

A

R

G

E

L

L

V

L

A

A

-

E

A

K

N

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

K

T

P

P

E

E

E

Q

V

L

A

G

E

G

A

A

V

A

A

V

W

F

L

L

C

S

L

S

P

A

G

A

S

A

A

D

S

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (≠ D112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (= I198)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ A92), H144 (≠ A142), K152 (≠ C150), Y155 (= Y153), W187 (≠ Y185), Q196 (≠ T194)
binding acetoacetic acid: Q94 (≠ A92), H144 (≠ A142), K152 (≠ C150), Y155 (= Y153), W187 (≠ Y185), Q196 (≠ T194)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (≠ G18), I16 (= I21), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ T111), K159 (= K157), G186 (= G184), V188 (≠ T186), T190 (= T188), L192 (≠ I190), V193 (= V191)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G16), T13 (≠ G18), I16 (= I21), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ T111), S142 (= S140), Y155 (= Y153), K159 (= K157), G186 (= G184), V188 (≠ T186), T190 (= T188), L192 (≠ I190), V193 (= V191)

Sites not aligning to the query:

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
37% identity, 96% coverage: 7:253/256 of query aligns to 2:256/260 of 3vdqA

query
sites
3vdqA

L

L

A

K

G

G

R

K

H

K

A

A

L

V

V

V

T

T

G
|
G

G

S

G

T

R
x
S

G
|
G

I
|
I

G

G

A

L

A

A

I

M

A

A

R

T

Q

E

M

L

L

A

A

K

L

A

G

G

A

A

V

D

V

V

T

V

I

I

T

N

G

G

-
x
F

-

G

-

Q

-

P

-

E

-

D

-

I

-

E

R

R

D

E

Q

R

G

S

R

T

L

L

D

E

A

-

A

-

A

-

T

S

S

K

L

F

G

G

C

V

S

K

A

A

V

Y

A

Y

M

L

-

N

-

A

D
|
D

V
x
L

T

S

D

D

A

A

P

Q

A

A

I

T

Q

R

N

D

G

F

F

I

A

A

R

K

A

A

A

A

Q

E

V

A

Q

L

G

G

P

G

I

L

T

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

A
x
Q

K

H

A

T

A

A

P

P

F

I

A

E

K

E

T

F

D

P

L

V

G

D

L

K

W

W

D

N

D

A

I

I

L

I

R

A

T
x
L

D
x
N

L

L

T

S

G

A

A

V

F

F

L

H

C

G

T

T

Q

A

A

A

A

A

L

L

P

P

G

I

M

M

L

Q

E

K

A

Q

G

G

W

W

G

G

R

R

V

I

V

I

N

N

V
x
I

A

A

S
|
S

T

A

A
x
H

G

G

L

L

T

V

G

A

L

S

A

V

Y

N

C
x
K

A

S

A

A

Y
|
Y

C

V

A

A

A

A

K
|
K

H

H

G

G

L

V

I

V

G

G

L

L

T

T

R

K

A

V

L

T

A

A

V

L

E

E

L

N

A

A

S

G

K

K

P

G

V

I

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

T
x
V

E

R

T
|
T

D

P

I
x
L

V
|
V

A

E

D

K

T
x
Q

I

I

A

E

N

A

I
|
I

V

S

A

Q

K

Q

T

K

G

G

R

I

T

D

P

I

E

E

E

A

A

A

L

A

A

R

G

E

L

L

V

L

A

A

-

E

A

K

N

Q

P

P

Q

S

K

L

R

Q

L

F

I

V

K

T

P

P

E

E

E

Q

V

L

A

G

E

G

A

A

V

A

A

V

W

F

L

L

C

S

L

S

P

A

G

A

S

A

A

D

S

Q

I

M

T

T

G

G

Q

T

S

T

I

L

A

S

V

L

A

D

G

G

G

G

active site: G15 (= G20), N114 (≠ D112), S142 (= S140), Y155 (= Y153), K159 (= K157), I200 (= I198)
binding acetate ion: Q94 (≠ A92), H144 (≠ A142), K152 (≠ C150), W187 (≠ Y185), L192 (≠ I190), Q196 (≠ T194)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), S14 (≠ R19), I16 (= I21), F36 (vs. gap), D63 (= D61), L64 (≠ V62), N90 (= N88), A91 (= A89), G92 (= G90), L113 (≠ T111), I140 (≠ V138), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), W187 (≠ Y185), V188 (≠ T186), T190 (= T188), L192 (≠ I190), V193 (= V191)

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)
39% identity, 98% coverage: 7:256/256 of query aligns to 6:246/247 of 3op4A

query
sites
3op4A

L

L

A

E

G

G

R

K

H

V

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
S

R
|
R

G

G

I
|
I

G

G

A

K

A

A

I

I

A

A

R

E

Q

L

M

L

L

A

A

E

L

R

G

G

A

A

V

K

V

V

T

I

I

G

T

T

G

A

R
x
T

D

S

Q

E

G

S

R

G

L

A

D

Q

A

A

A

I

A

S

T

D

S

Y

L

L

G

G

C

D

S

N

A

G

-

K

-

G

V

M

A

A

M

L

D
x
N

V
|
V

T

T

D

N

A

P

P

E

A

S

I

I

Q

E

N

A

G

V

F

L

A

K

R

A

A

I

A

T

Q

D

V

E

Q

F

G

G

P

G

I

V

T

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

A

T

K

R

A

D

A

N

P

L

F

L

A

M

K

R

T

M

D

K

L

E

G

E

L

E

W

W

D

S

D

D

I

I

L

M

R

E

T

T

D

N

L

L

T

T

G

S

A

I

F

F

L

R

C

L

T

S

Q

K

A

A

A

V

L

L

P

R

G

G

M

M

L

M

E

K

A

K

G

R

W

Q

G

G

R

R

V

I

V

I

N

N

V
|
V

A

G

S
|
S

T

V

A

V

G

G

L

T

T

M

G

G

L

N

A

A

Y

G

C

Q

A

A

A

N

Y
|
Y

C

A

A

A

A

A

K
|
K

H

A

G

G

L

V

I

I

G

G

L

F

T

T

R

K

A

S

L

M

A

A

V

R

E

E

L

V

A

A

S

S

K

R

P

G

V

V

T

T

V

V

N

N

A

T

V

V

C

A

P
|
P

G
|
G

Y

F

T
x
I

E

E

T
|
T

D

D

I
x
M

V

-

A

-

D

-

T

-

I

-

A

-

N

-

I

-

V

-

A

-

K

-

T

T

G

K

R

A

T

L

P

N

E

D

E

E

A

Q

L

R

A

T

G

A

L

T

V

L

A

A

A

Q

N

V

P

P

Q

A

K

G

R

R

L

L

I

G

K

D

P

P

E

R

E

E

V

I

A

A

E

S

A

A

V

V

A

A

W

F

L

L

C

A

L

S

P

P

G

E

S

A

A

A

S

Y

I

I

T

T

G

G

Q

E

S

T

I

L

A

H

V

V

A

N

G

G

G

G

E

M

L

Y

M

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (≠ G18), R18 (= R19), I20 (= I21), T40 (≠ R41), N62 (≠ D61), V63 (= V62), N89 (= N88), A90 (= A89), I92 (= I91), V139 (= V138), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), I187 (≠ T186), T189 (= T188), M191 (≠ I190)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
37% identity, 98% coverage: 5:256/256 of query aligns to 1:243/244 of 6t77A

query
sites
6t77A

W

M

P

S

L

F

A

E

G

G

R

K

H

I

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

R

E

Q

T

M

L

L

V

A

A

L

R

G

G

A

A

V

K

V

V

T

I

I

G

T

T

G

A

R
x
T

D

S

Q

E

G

S

R

G

L

A

D

Q

A

A

A

I

A

S

T

D

S

Y

L

L

G

G

C

A

S

N

A

G

-

K

-

G

V

L

A

M

M
x
L

D
x
N

V
|
V

T

T

D

D

A

P

P

A

A

S

I

I

Q

E

N

S

G

V

F

L

A

E

R

N

A

V

A

R

Q

A

V

E

Q

F

G

G

P

E

I

V

T

D

I

I

L

L

V

V

N

N

N

N

A
|
A

G
|
G

I
|
I

A

T

K

R

A

D

A

N

P

L

F

L

A

M

K

R

T

M

D

K

L

D

G

D

L

E

W

W

D

N

D

D

I

I

L

I

R

E

T

T

D

N

L

L

T

S

G

S

A

V

F

F

L

R

C

L

T

S

Q

K

A

A

A

V

L

M

P

R

G

A

M

M

L

M

E

K

A

K

G

R

W

H

G

G

R

R

V

I

V

I

N

T

V

I

A

G

S
|
S

T

V

A

V

G

G

L

T

T

M

G

G

L

N

A

A

Y

G

C

Q

A

A

A

N

Y
|
Y

C

A

A

A

A

A

K

K

H

A

G

G

L

L

I

I

G

G

L

F

T

S

R

K

A

S

L

L

A

A

V

R

E

E

L

V

A

A

S

S

K

R

P

G

V

I

T

T

V

V

N

N

A

V

V

V

C

A

P

P

G

G

Y

F

T

I

E

E

T

T

D

D

I

M

V

-

A

-

D

-

T

-

I

-

A

-

N

-

I

-

V

-

A

-

K

-

T

T

G

R

R

A

T

L

P

T

E

D

E

E

A

Q

L

R

A

A

G

G

L

T

V

L

A

A

A

A

N

V

P

P

Q

A

K

G

R

R

L

L

I

G

K

T

P

P

E

N

E

E

V

I

A

A

E

S

A

A

V

V

A

A

W

F

L

L

C

A

L

S

P

D

G

E

S

A

A

S

S

Y

I

I

T

T

G

G

Q

E

S

T

I

L

A

H

V

V

A

N

G

G

G

G

E

M

L

Y

M

M

active site: G16 (= G20), S138 (= S140), Y151 (= Y153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), S14 (≠ G18), R15 (= R19), T37 (≠ R41), L58 (≠ M60), N59 (≠ D61), V60 (= V62), A87 (= A89), G88 (= G90), I89 (= I91)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
38% identity, 98% coverage: 7:256/256 of query aligns to 6:242/243 of 4i08A

query
sites
4i08A

L

L

A

E

G

G

R

K

H

V

A

A

L

L

V

V

T

T

G
|
G

G

A

G
x
S

R
|
R

G
|
G

I
|
I

G

G

A

K

A

A

I

I

A

A

R

E

Q

L

M

L

L

A

A

E

L

R

G

G

A

A

V

K

V

V

T

I

I

G

T

T

G

A

R
x
T

D

S

Q

E

G

S

R

G

L

A

D

Q

A

A

A

I

A

S

T

D

S

Y

L

L

G

G

C

D

S

N

A

G

-

K

-

G

V

M

A

A

M

L

D
x
N

V
|
V

T

T

D

N

A

P

P

E

A

S

I

I

Q

E

N

A

G

V

F

L

A

K

R

A

A

I

A

T

Q

D

V

E

Q

F

G

G

P

G

I

V

T

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

A

T

K

R

A

D

A

N

P

L

F

L

A

M

K

R

T

M

D

K

L

E

G

E

L

E

W

W

D

S

D

D

I

I

L

M

R

E

T

T

D
x
N

L

L

T

T

G

S

A

I

F

F

L

R

C

L

T

S

Q

K

A

A

A

V

L

L

P

R

G

G

M

M

L

M

E

K

A

K

G

R

W

Q

G

G

R

R

V

I

V

I

N

N

V

V

A
x
G

S
|
S

T

V

A

V

G

G

L

T

T

M

G

G

L

N

A

A

Y

G

C
x
Q

A

A

A

N

Y
|
Y

C

A

A

A

A

A

K
|
K

H

A

G

G

L

V

I

I

G

G

L

F

T

T

R

K

A

S

L

M

A

A

V

R

E

E

L

V

A

A

S

S

K

R

P

G

V

V

T

T

V

V

N

N

A

T

V

V

C

A

P
|
P

G
|
G

Y

F

T

I

E

E

T
|
T

D

D

I

M

V

-

A

-

D

-

T

-

I

-

A

-

N

-

I

-

V

-

A

-

K

-

T

-

G

-

R

-

T

-

P

N

E

D

E

E

A

Q

L

R

A

T

G

A

L

T

V

L

A

A

A

Q

N

V

P

P

Q

A

K

G

R

R

L

L

I

G

K

D

P

P

E

R

E

E

V

I

A

A

E

S

A

A

V

V

A

A

W

F

L

L

C

A

L

S

P

P

G

E

S

A

A

A

S

Y

I

I

T

T

G

G

Q

E

S

T

I

L

A

H

V

V

A

N

G

G

G

G

E

M

L

Y

M

M

active site: G19 (= G20), N113 (≠ D112), S141 (= S140), Q151 (≠ C150), Y154 (= Y153), K158 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (≠ G18), R18 (= R19), I20 (= I21), T40 (≠ R41), N62 (≠ D61), V63 (= V62), N89 (= N88), A90 (= A89), G140 (≠ A139), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), T189 (= T188)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
36% identity, 98% coverage: 7:256/256 of query aligns to 5:244/244 of 4nbuB

query
sites
4nbuB

L

L

A

Q

G

D

R

K

H

V

A

A

L

I

V

I

T

T

G
|
G

G

A

G

A

R
x
N

G
|
G

I
|
I

G

G

A

L

A

E

I

A

A

A

R

R

Q

V

M

F

L

M

A

K

L

E

G

G

A

A

V

K

V

V

T

V

I

I

T

A

G
x
D

R
x
F

D

N

Q

E

-

A

-

A

G

G

R

K

L

-

D

E

A

A

A

V

A

E

T

A

S

N

L

P

G

G

C

V

S

V

A

F

V

I

A

R

M
x
V

D
|
D

V
|
V

T

S

D

D

A

R

P

E

A

S

I

V

Q

H

N

R

G

L

F

V

A

E

R

N

A

V

A

A