SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF328 PGA1_c03390 acetoacetyl-CoA reductase PhaB 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)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
47% identity, 99% coverage: 3:239/240 of query aligns to 2:244/245 of 4k6fB

query
sites
4k6fB

R

R

N

I

A

A

L

V

V

V

T

T

G
|
G

G

G

S

M

R

G

G
|
G

I

L

G

G

A

E

A

A

I

V

S

S

Q

I

A

R

L

L

K

N

A

D

E

A

G

G

Y

H

T

R

V

V

A

V

T

T

Y
|
Y

A
x
S

G

P

N

N

D
x
N

E

T

A

G

A

A

A

D

K

R

F

W

T

L

N

T

E

E

T

M

G

H

-

A

-

G

-

R

-

E

I

F

K

H

T

A

Y

Y

K

P

W
x
V

D
|
D

V
|
V

A

A

S

D

Y

H

E

D

D

S

S

C

A

Q

G

C

I

I

A

E

K

K

V

I

E

V

A

R

D

D

I

V

G

G

P

P

I

V

D

D

I

I

V

L

V

V

A

N

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

M

P

T

F

L

H

R

K

K

M

L

T

D

L

K

E

V

Q
x
N

W

W

Q

D

Q

A

V

V

I

I

D

R

T
|
T

N

N

L

L

T

D

G

S

V

V

F

F

N

N

T

M

V

T

H

K

P

P

I

V

W

C

P

D

G

G

M

M

R

V

E

E

R

R

K

G

F

W

G

G

R

R

V

I

I

V

V

N

I

I

S

S

S
|
S

I

V

N

N

G

G

Q

S

K

K

G

G

Q

S

F

V

A

G

Q

Q

V

T

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D

M

L

H

G

G

I

F

V

T

K

K

S

S

L

L

A

A

Q

L

E

E

G

I

A

A

R

R

A

K

G

G

I

V

T

T

A

V

N

N

A

T

I

V

C

S

P

P

G

G

Y

Y

I

L

A

A

T

T

E

K

M

M

V

V

M

T

A

A

V

I

P

P

E

Q

K

D

V

I

R

L

E

D

S

T

-

K

I

I

I

L

G

P

Q

Q

I

I

P

P

A

A

G

G

R

R

L

L

G

G

E

K

P

P

E

E

I

V

A

A

R

A

C

L

V

V

A

A

F

Y

L

L

A

C

S

S

E

E

D

E

S

A

G

G

F

F

I

V

N

T

G

G

S

S

T

N

I

I

S

A

A

I

N

N

G

G

A

G

Q

Q

F

H

F

M

active site: G12 (= G13), N102 (≠ Q98), S138 (= S134), Y151 (= Y147), K155 (= K151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), Y32 (= Y33), S33 (≠ A34), N36 (≠ D37), V58 (≠ W54), D59 (= D55), V60 (= V56), A87 (= A83), G88 (= G84), I89 (= I85), T109 (= T105)

5vt6A Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b complexed with NADP
47% identity, 97% coverage: 3:235/240 of query aligns to 2:240/245 of 5vt6A

query
sites
5vt6A

R

R

N

V

A

A

L

F

V

V

T

T

G
|
G

G

G

S

M

R
x
G

G
|
G

I
x
L

G

G

A

A

I

I

S

S

Q

R

A

R

L

L

K

H

A

D

E

A

G

G

Y

M

T

A

V

V

A

A

A

V

T

S

Y
x
H

A
x
S

-

E

G

R

N
|
N

D

D

E

H

A

V

A

S

A

T

K

W

F

L

T

M

N

H

E

E

T

R

G

D

-

A

-

G

-

R

-

D

I

F

K

K

T

A

Y

Y

K

A

W
x
V

D
|
D

V
|
V

A

A

S

D

Y

F

E

E

D

S

S

C

A

E

A

R

G

C

I

A

A

E

K

K

V

V

E

L

A

A

D

D

I

F

G

G

P

K

I

V

D

D

I

V

V

L

V

I

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

A

P

T

F

F

H

M

K

K

M

M

T

T

L

K

E

G

Q
x
D

W

W

Q

D

Q

A

V

V

I

M

D

R

T
|
T

N

D

L

L

T

D

G

A

V

M

F

F

N

N

T

V

V

T

H

K

P

Q

I

F

W

I

P

A

G

G

M

M

R

V

E

E

R

R

K

R

F

F

G

G

R

R

V

I

I

V

V

N

I
|
I

S
x
G

S
|
S

I

V

N

N

G

G

Q

S

K

R

G

G

Q

A

F

F

A

G

Q

Q

V

A

N

N

Y
|
Y

A

A

A

S

T

A

K
|
K

A

A

G

G

D

I

L

H

G

G

I

F

V

T

K

K

S

T

L

L

A

A

Q

L

E

E

G

T

A

A

R

K

A

R

G

G

I

I

T

T

A

V

N

N

A

T

I

V

C

S

P
|
P

G
|
G

Y
|
Y

I
x
L

A

A

T
|
T

E

A

M

M

V

V

M

E

A

A

V

V

P

P

E

Q

K

D

V

V

R

L

E

E

S

A

-

K

I

I

I

L

G

P

Q

Q

I

I

P

P

A

V

G

G

R

R

L

L

G

G

E

R

P

P

E

D

E

E

I

V

A

A

R

A

C

L

V

I

A

A

F

F

L

L

A

C

S

S

E

D

D

D

S

A

G

G

F

F

I

V

N

T

G

G

S

A

T

D

I

L

S

A

A

I

N

N

G

G

active site: G12 (= G13), D102 (≠ Q98), S138 (= S134), Y151 (= Y147), K155 (= K151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), G11 (≠ R12), G12 (= G13), L13 (≠ I14), H32 (≠ Y33), S33 (≠ A34), N36 (= N36), V58 (≠ W54), D59 (= D55), V60 (= V56), N86 (= N82), A87 (= A83), G88 (= G84), I89 (= I85), T109 (= T105), I136 (= I132), G137 (≠ S133), S138 (= S134), Y151 (= Y147), K155 (= K151), P181 (= P177), G182 (= G178), Y183 (= Y179), L184 (≠ I180), T186 (= T182)

5vmlA Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b with bound NADP
48% identity, 97% coverage: 3:235/240 of query aligns to 3:240/245 of 5vmlA

query
sites
5vmlA

R

R

N

I

A

A

L

Y

V

V

T

T

G
|
G

G

G

S
x
M

R
x
G

G
|
G

I
|
I

G

G

A

T

A

S

I

I

S

C

Q

Q

A

R

L

L

K

H

A

K

E

D

G

G

Y

F

T

R

V

V

A

V

A

A

T

G

Y
x
C

A
x
G

G

P

N

N

D
x
S

E

P

A
x
R

A

R

A

V

K

K

F

W

T

L

N

E

E

D

-

Q

-

K

-

A

T

L

G

G

I

F

K

D

T

F

Y

Y

-

A

-

S

K

E

W
x
G

D
x
N

V
|
V

A

G

S

D

Y

W

E

D

D

S

S

T

A

K

A

Q

G

A

I

F

A

D

K

K

V

V

E

K

A

A

D

E

I

V

G

G

P

E

I

I

D

D

I

V

V

L

V

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

V

P

V

F

F

H

R

K

K

M

M

T

T

L

R

E

E

Q

D

W

W

Q

Q

Q

A

V

V

I

I

D

D

T
|
T

N
|
N

L

L

T

T

G

S

V

L

F

F

N

N

T

V

V

T

H

K

P

Q

I

V

W

I

P

D

G

G

M

M

R

V

E

E

R

R

K

G

F

W

G

G

R

R

V

I

I

I

V

N

I
|
I

S
|
S

I

V

N

N

G

G

Q

Q

K

K

G

G

Q

Q

F

F

A

G

Q

Q

V

T

N

N

Y
|
Y

A

S

A

T

T

A

K
|
K

A

A

G

G

D

I

L

H

G

G

I

F

V

T

K

M

S

S

L

L

A

A

Q

Q

E

E

G

V

A

A

R

T

A

K

G

G

I

V

T

T

A

V

N

N

A

T

I

V

C

S

P
|
P

G
|
G

Y
|
Y

I
|
I

A

G

T
|
T

E

D

M

M

V
|
V

M

K

A

A

V

I

P

R

E

P

K

D

V

V

R

L

E

E

S

K

I

I

I

V

G

A

Q

T

I

I

P

P

A

V

G

R

R

R

L

L

G

G

E

S

P

P

E

D

E

E

I

I

A

G

R

S

C

I

V

V

A

A

F

W

L

L

A

A

S

S

E

E

D

E

S

S

G

G

F

F

I

S

N

T

G

G

S

A

T

D

I

F

S

S

A

L

N

N

G

G

active site: G13 (= G13), N111 (= N106), S139 (= S134), Y152 (= Y147), K156 (= K151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G9), M11 (≠ S11), G12 (≠ R12), G13 (= G13), I14 (= I14), C33 (≠ Y33), G34 (≠ A34), S37 (≠ D37), R39 (≠ A39), G59 (≠ W54), N60 (≠ D55), V61 (= V56), N87 (= N82), A88 (= A83), G89 (= G84), I90 (= I85), T110 (= T105), I137 (= I132), S138 (= S133), S139 (= S134), Y152 (= Y147), K156 (= K151), P182 (= P177), G183 (= G178), Y184 (= Y179), I185 (= I180), T187 (= T182), V190 (= V185)

P14697 Acetoacetyl-CoA reductase; EC 1.1.1.36 from Cupriavidus necator (strain ATCC 17699 / DSM 428 / KCTC 22496 / NCIMB 10442 / H16 / Stanier 337) (Ralstonia eutropha) (see 2 papers)
45% identity, 97% coverage: 3:235/240 of query aligns to 4:241/246 of P14697

query
sites
P14697

R

R

N

I

A

A

L

Y

V

V

T

T

G

G

S

M

R
x
G

G
|
G

I
|
I

G

G

A

T

A

A

I

I

S

C

Q

Q

A

R

L

L

K

A

A

K

E

D

G

G

Y

F

T

R

V

V

A

V

A

A

T

G

Y

C

A
x
G

G

P

N

N

D

S

E

P

A
x
R

A

R

A

E

K

K

F

W

T

L

N

E

E
x
Q

T

Q

G

K

I

A

K

L

T

G

Y

F

K

D

W

F

-

I

-

A

-

S

-

E

-
x
G

D
x
N

V
|
V

A

A

S

D

Y

W

E

D

D

S

S

T

A

K

A

T

G

A

I

F

A

D

K

K

V

V

E

K

A

S

D

E

I

V

G

G

P

E

I

V

D

D

I

V

V

L

V

I

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T
|
T

R

R

D
|
D

A

V

P

V

F

F

H

R

K
|
K

M

M

T

T

L

R

E

A

Q

D

W

W

Q

D

Q

A

V

V

I

I

D

D

T

T

N

N

L

L

T

T

G

S

V

L

F

F

N

N

T

V

V

T

H

K

P

Q

I

V

W

I

P

D

G

G

M

M

R

A

E

D

R

R

K

G

F

W

G

G

R

R

V

I

I

V

V

N

I

I

S

S

I

V

N

N

G

G

Q

Q

K

K

G

G

Q
|
Q

F
|
F

A

G

Q
|
Q

V

T

N

N

Y

Y

A

S

A

T

T

A

K

K

A

A

G

G

D

L

L

H

G

G

I

F

V

T

K

M

S

A

L

L

A

A

Q

Q

E

E

G

V

A

A

R
x
T

A

K

G

G

I

V

T

T

A

V

N

N

A

T

I

V

C

S

P
|
P

G
|
G

Y
|
Y

I
|
I

A

A

T

T

E

D

M

M

V

V

M

K

A

A

V

I

P
x
R

E

Q

K

D

V

V

R

L

E

D

S

K

I

I

I

V

G

A

Q

T

I

I

P

P

A

V

G

K

R

R

L

L

G

G

E

L

P

P

E

E

I

I

A

A

R

S

C

I

V

C

A

A

F

W

L

L

A

S

S

S

E

E

D

E

S

S

G

G

F

F

I

S

N

T

G

G

S

A

T

D

I

F

S

S

A

L

N

N

G

G

GGI 13:15 (≠ RGI 12:14) binding
G35 (≠ A34) binding
R40 (≠ A39) binding
Q47 (≠ E46) mutation to L: 2.4-fold increase in activity. 2-fold decrease in affinity for NADPH and 2.8-fold decrease in affinity for acetoacetyl-CoA.
GNV 60:62 (≠ -DV 55:56) binding
NAGIT 88:92 (= NAGIT 82:86) binding
D94 (= D88) mutation to A: About 6% of wild-type activity.
K99 (= K93) mutation to A: Nearly loss of activity.
Q147 (= Q141) mutation to A: About 30% of wild-type activity.
F148 (= F142) mutation to A: About 30% of wild-type activity.
Q150 (= Q144) mutation to A: About 20% of wild-type activity.
T173 (≠ R167) mutation to S: 3.5-fold increase in activity. 4-fold decrease in affinity for NADPH and 2.4-fold decrease in affinity for acetoacetyl-CoA.
PGYI 183:186 (= PGYI 177:180) binding
Y185 (= Y179) mutation to A: Nearly loss of activity.
R195 (≠ P189) mutation to A: Nearly loss of activity.

3vzsB Crystal structure of phab from ralstonia eutropha in complex with acetoacetyl-coa and NADP (see paper)
45% identity, 97% coverage: 3:235/240 of query aligns to 7:244/249 of 3vzsB

query
sites
3vzsB

R

R

N

I

A

A

L

Y

V

V

T

T

G
|
G

G

G

S

M

R

G

G

G

I
|
I

G

G

A

T

A

A

I

I

S

C

Q

Q

A

R

L

L

K

A

A

K

E

D

G

G

Y

F

T

R

V

V

A

V

A

A

T

G

Y
x
C

A
x
G

G

P

N

N

D

S

E

P

A
x
R

A

R

A

E

K

K

F

W

T

L

N

E

E

Q

T

Q

G

K

I

A

K

L

T

G

Y

F

K

D

W

F

-

I

-

A

-

S

-

E

-
x
G

D
x
N

V
|
V

A

A

S

D

Y

W

E

D

D

S

S

T

A

K

A

T

G

A

I

F

A

D

K

K

V

V

E

K

A

S

D

E

I

V

G

G

P

E

I

V

D

D

I

V

V

L

V

I

A

N

N

N

A
|
A

G
|
G

I
|
I

T
|
T

R

R

D
|
D

A

V

P

V

F

F

H

R

K

K

M

M

T

T

L

R

E

A

Q

D

W

W

Q

D

Q

A

V

V

I

I

D

D

T
|
T

N
|
N

L

L

T

T

G

S

V

L

F

F

N

N

T

V

V

T

H

K

P

Q

I

V

W

I

P

D

G

G

M

M

R

A

E

D

R

R

K

G

F

W

G

G

R

R

V

I

I

V

V

N

I

I

S

S

S
|
S

I

V

N

N

G

G

Q

Q

K

K

G

G

Q
|
Q

F
|
F

A

G

Q
|
Q

V

T

N

N

Y
|
Y

A

S

A

T

T

A

K
|
K

A

A

G

G

D

L

L

H

G

G

I

F

V

T

K

M

S

A

L

L

A

A

Q

Q

E

E

G

V

A

A

R

T

A

K

G

G

I

V

T

T

A

V

N

N

A

T

I

V

C

S

P
|
P

G
|
G

Y
|
Y

I
|
I

A

A

T
|
T

E

D

M
|
M

V
|
V

M

K

A

A

V

I

P
x
R

E

Q

K

D

V
|
V

R

L

E

D

S

K

I

I

I

V

G

A

Q

T

I

I

P

P

A

V

G

K

R

R

L

L

G

G

E

L

P

P

E

E

I

I

A

A

R

S

C

I

V

C

A

A

F

W

L

L

A

S

S

S

E

E

D

E

S

S

G

G

F

F

I

S

N

T

G

G

S

A

T

D

I

F

S

S

A

L

N

N

G

G

active site: N115 (= N106), S143 (= S134), Y156 (= Y147), K160 (= K151)
binding acetoacetyl-coenzyme a: T95 (= T86), D97 (= D88), Q150 (= Q141), F151 (= F142), Q153 (= Q144), Y156 (= Y147), G187 (= G178), Y188 (= Y179), M193 (= M184), R198 (≠ P189), V201 (= V192)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), I18 (= I14), C37 (≠ Y33), G38 (≠ A34), R43 (≠ A39), G63 (vs. gap), N64 (≠ D55), V65 (= V56), A92 (= A83), G93 (= G84), I94 (= I85), T95 (= T86), T114 (= T105), P186 (= P177), G187 (= G178), I189 (= I180), T191 (= T182), M193 (= M184), V194 (= V185)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
43% identity, 100% coverage: 1:239/240 of query aligns to 3:246/246 of 3osuA

query
sites
3osuA

M

M

A

T

R

K

N

S

A

A

L

L

V

V

T

T

G

G

G

A

S

S

R

R

G
|
G

I

I

G

G

A

R

A

S

I

I

S

A

Q

L

A

Q

L

L

K

A

A

E

E

E

G

G

Y

Y

T

N

V

V

A

A

A

V

T

N

Y

Y

A

A

G

G

N

S

D

K

E

E

A

K

A

A

A

E

K

A

F

V

T

V

N

E

E

E

-

I

-

K

-

A

T

K

G

G

I

V

K

D

T

S

Y

F

-

A

-

I

K

Q

W

A

D

N

V

V

A

A

S

D

Y

A

E

D

D

E

S

V

A

K

A

A

G

M

I

I

A

K

K

E

V

V

E

V

A

S

D

Q

I

F

G

G

P

S

I

L

D

D

I

V

V

L

V

V

A

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

L

E

E

Q

Q

E

W

W

Q

D

V

V

I

I

D

D

T

T

N

N

L

L

T

K

G

G

V

V

F

F

N

N

T

C

V

I

H

Q

P

K

I

A

W

T

P

P

G

Q

M

M

R

L

E

R

R

Q

K

R

F

S

G

G

R

A

V

I

I

I

V

N

I

L

S

S

S
|
S

I

V

N

V

G

G

Q

A

K

V

G

G

Q

N

F

P

A

G

Q
|
Q

V

A

N

N

Y
|
Y

A

V

A

A

T

T

K
|
K

A

A

G

G

D

V

L

I

G

G

I

L

V

T

K

K

S

S

L

A

A

A

Q

R

E

E

G

L

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

A

I

V

C

A

P

P

G

G

Y

F

I

I

A

V

T

S

E

D

M

M

V

T

M

D

A

A

V

L

P

S

E

D

K

E

V

L

R

K

E

E

S

Q

I

M

I

L

G

T

Q

Q

I

I

P

P

A

L

G

A

R

R

L

F

G

G

E

Q

P

D

E

T

E

D

I

I

A

A

R

N

C

T

V

V

A

A

F

F

L

L

A

A

S

S

E

D

D

K

S

A

G

K

F

Y

I

I

N

T

G

G

S

Q

T

T

I

I

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

active site: G15 (= G13), S141 (= S134), Q151 (= Q144), Y154 (= Y147), K158 (= K151)
binding magnesium ion: N89 (= N82), K158 (= K151)

P73826 Acetoacetyl-CoA reductase; EC 1.1.1.36 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
46% identity, 97% coverage: 6:237/240 of query aligns to 12:238/240 of P73826

query
sites
P73826

L

V

V

V

T

T

G

G

S

N

R

R

G

G

I

I

G

G

A

A

I

I

S

V

Q

K

A

L

L

L

K

Q

A

E

E

M

G

G

Y

A

T

K

V

V

A

A

-

F

-

T

-

D

-

L

A

A

T

T

Y

D

A

G

G

G

N

N

D

T

E

E

A

A

A

L

A

G

K

V

F

V

T

A

N

N

E

-

T

-

G

-

I

-

K

-

T

-

Y

-

K

-

W

-

D

-

V

V

A

T

S

D

Y

L

E

E

D

S

S

M

A

T

A

A

G

A

I

A

A

A

K

E

V

I

E

T

A

D

D

K

I

L

G

G

P

P

I

V

D

Y

I

G

V

V

A

A

N

N

A

A

G

G

I

I

T

T

R

K

D

D

A

N

P

F

F

F

H

P

K

K

M

L

T

T

L

P

E

A

Q

D

W

W

Q

D

Q

A

V

V

I

L

D

N

T

V

N

N

L

L

T

K

G

G

V

V

F

A

N

Y

T

S

V

I

H

K

P

P

I

F

W

I

P

E

G

G

M

M

R

Y

E

E

R

R

K

K

F

A

G

G

R

S

V

I

I

V

V

A

I

I

S

S

S
|
S

I

I

N

S

G

G

Q

E

K

R

G

G

Q

N

F

V

A

G

Q

Q

V

T

N

N

Y
|
Y

A

S

A

A

T

T

K
|
K

A

A

G

G

D

V

L

I

G

G

I

M

V

M

K

K

S

S

L

L

A

A

Q

R

E

E

G

G

A

A

R

R

A

Y

G

G

I

V

T

R

A

A

N

N

A

A

I

V

C

A

P

P

G

G

Y

F

I

I

A

D

T

T

E

E

M

M

V

T

M

L

A

A

V

I

P

R

E

E

K

D

V

I

R

R

E

E

S

K

I

I

I

T

G

K

Q

E

I

I

P

P

A

F

G

R

R

R

L

F

G

G

E

K

P

P

E

E

I

I

A

A

R

W

C

A

V

V

A

A

F

F

L

L

A

L

S

S

E

P

-

V

D

A

S

S

G

S

F

Y

I

V

N

T

G

G

S

E

T

V

I

L

S

R

A

V

N

N

G

G

A

A

Q

H

S134 (= S134) mutation to A: 12% enzymatic activity.
Y147 (= Y147) mutation to A: No enzymatic activity.
K151 (= K151) mutation to A: 5% enzymatic activity.

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
42% identity, 99% coverage: 3:239/240 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

R

K

N

S

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

S

I

I

S

A

Q

L

A

Q

L

L

K

A

A

E

E

E

G

G

Y

Y

T

N

V

V

A

A

A

V

T
x
N

Y
|
Y

A
|
A

G
|
G

N
x
S

D

K

E

E

A

K

A

A

A

E

K

A

F

V

T

V

N

E

E

E

-

I

-

K

-

A

T

K

G

G

I

V

K

D

T

S

Y

F

-

A

-

I

K

Q

W
x
A

D
x
N

V
|
V

A

A

S

D

Y

A

E

D

D

E

S

V

A

K

A

A

G

M

I

I

A

K

K

E

V

V

E

V

A

S

D

Q

I

F

G

G

P

S

I

L

D

D

I

V

V

L

V

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

L

E

E

Q

Q

E

W

W

Q

D

V

V

I

I

D

D

T
|
T

N

N

L

L

T

K

G

G

V

V

F

F

N

N

T

C

V

I

H

Q

P

K

I

A

W

T

P

P

G

Q

M

M

R

L

E

R

R

Q

K

R

F

S

G

G

R

A

V

I

I

I

V

N

I
x
L

S
|
S

I

V

N

V

G

G

Q

A

K

V

G

G

Q

N

F

P

A

G

Q
|
Q

V

A

N

N

Y
|
Y

A

V

A

A

T

T

K
|
K

A

A

G

G

D

V

L

I

G

G

I

L

V

T

K

K

S

S

L

A

A

A

Q

R

E

E

G

L

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

A

I

V

C

A

P
|
P

G
|
G

Y
x
F

I
|
I

A

V

T

S

E

D

M

M

V

-

M

-

A

-

V

-

P

T

E

D

K

E

V

L

R

K

E

E

S

Q

I

M

I

L

G

T

Q

Q

I

I

P

P

A

L

G

A

R

R

L

F

G

G

E

Q

P

D

E

T

E

D

I

I

A

A

R

N

C

T

V

V

A

A

F

F

L

L

A

A

S

S

E

D

D

K

S

A

G

K

F

Y

I

I

N

T

G

G

S

Q

T

T

I

I

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

active site: G12 (= G13), S138 (= S134), Q148 (= Q144), Y151 (= Y147), K155 (= K151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), S10 (= S11), R11 (= R12), G12 (= G13), I13 (= I14), N31 (≠ T32), Y32 (= Y33), A33 (= A34), G34 (= G35), S35 (≠ N36), A58 (≠ W54), N59 (≠ D55), V60 (= V56), N86 (= N82), A87 (= A83), G88 (= G84), I89 (= I85), T109 (= T105), L136 (≠ I132), S137 (= S133), S138 (= S134), Y151 (= Y147), K155 (= K151), P181 (= P177), G182 (= G178), F183 (≠ Y179), I184 (= I180)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
42% identity, 98% coverage: 6:240/240 of query aligns to 8:243/243 of 7emgB

query
sites
7emgB

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G

G

I

I

G

G

A

R

A

A

I

I

S

A

Q

E

A

T

L

F

K

V

A

A

E

R

G

G

Y

A

T

K

V

V

-

I

-

G

A

T

A
|
A

T
|
T

Y

S

A

E

G

S

N

G

D

A

E

E

A

A

A

I

A

S

K

G

F

Y

T

L

N

G

E

A

T

N

G

G

I

-

K

K

T

G

Y

F

K

M

W
x
L

D
x
N

V
|
V

A
x
K

S

D

Y

A

E

Q

D

S

S

I

A

D

A

S

G

V

I

L

A

A

K

S

V

I

E

R

A

A

D

E

I

F

G

G

P

E

I

I

D

D

I

I

V

L

V

V

A

N

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

L

D

E

D

Q

E

W

W

Q

E

Q

D

V

I

I

L

D

D

T
|
T

N

N

L

L

T

T

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

I

V

W

M

P

C

G

A

M

M

R

M

E

K

R

K

K

R

F

F

G

G

R

R

V

I

I

I

V

T

I

I

S

G

S

S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

A

A

G

Q

Q

V

A

N

N

Y

Y

A

A

T

A

K

K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

Y

I

I

A

E

T

T

E

D

M
|
M

V

T

M

R

A

A

V

L

P

T

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

S

Q

S

I

V

P

P

A

A

G

N

R

R

L

P

G

G

E

D

P

A

E

K

E

E

I

I

A

A

R

S

C

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

D

E

S

A

G

G

F

Y

I

I

N

T

G

G

S

E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (= S11), R14 (= R12), A35 (= A31), T36 (= T32), L57 (≠ W54), N58 (≠ D55), V59 (= V56), K60 (≠ A57), A86 (= A83), G87 (= G84), I88 (= I85), T108 (= T105), M187 (= M184)

P0AEK2 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Escherichia coli (strain K12) (see 2 papers)
43% identity, 98% coverage: 5:240/240 of query aligns to 8:244/244 of P0AEK2

query
sites
P0AEK2

A

A

L

L

V

V

T

T

G
|
G

G
x
A

S
|
S

R
|
R

G

G

I

I

G

G

A

R

A

A

I

I

S

A

Q

E

A

T

L

L

K

A

A

A

E

R

G

G

Y

A

T

K

V

V

A

I

A

G

T

T

Y

A

A
x
T

G

S

N

E

D

N

E

G

A

A

A

Q

A

A

K

I

F

S

-

D

-

Y

-

L

-

G

T

A

N

N

E

G

T

K

G

G

I

L

K

M

T

L

Y
x
N

K
x
V

W

T

D

D

V

P

A

A

S

S

Y

I

E

E

D

S

S

V

A

-

G

-

I

L

A

E

K

K

V

I

E

R

A

A

D

E

I

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

L

D

E

E

Q

E

W

W

Q

N

Q

D

V

I

I

I

D

E

T

T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

I

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

V

I

I

I

V

T

I

I

S

G

S

S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

G

A

G

Q

Q

V

A

N

N

Y
|
Y

A
|
A

T
x
A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

F

I
|
I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

S

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

A

Q

Q

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

G

P

A

E

Q

E

E

I

I

A

A

R

N

C

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

D

E

S

A

G

A

F

Y

I

I

N

T

G

G

S
x
E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

GASR 12:15 (≠ GGSR 9:12) binding
T37 (≠ A34) binding
NV 59:60 (≠ YK 52:53) binding
N86 (= N82) binding
Y151 (= Y147) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YAATK 147:151) binding
A154 (≠ T150) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K151) mutation to A: Defect in the affinity for NADPH.
I184 (= I180) binding
E233 (≠ S229) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
43% identity, 98% coverage: 5:240/240 of query aligns to 7:243/243 of 1q7bA

query
sites
1q7bA

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

I

S

A

Q

E

A

T

L

L

K

A

A

A

E

R

G

G

Y

A

T

K

V

V

A

I

A

G

T

T

Y
x
A

A
x
T

G

S

N

E

D

N

E

G

A

A

A

Q

A

A

K

I

F

S

-

D

-

Y

-

L

-

G

T

A

N

N

E

G

T

K

G

G

I

L

K

M

T
x
L

Y
x
N

K
x
V

W

T

D

D

V

P

A

A

S

S

Y

I

E

E

D

S

S

V

A

-

G

-

I

L

A

E

K

K

V

I

E

R

A

A

D

E

I

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

L

D

E

E

Q
x
E

W

W

Q

N

Q

D

V

I

I

I

D

E

T
|
T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

I

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

V

I

I

I

V

T

I
|
I

S
x
G

S
|
S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

G

A

G

Q
|
Q

V

A

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P
|
P

G
|
G

Y
x
F

I
|
I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

S

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

A

Q

Q

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

G

P

A

E

Q

E

E

I

I

A

A

R

N

C

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

D

E

S

A

G

A

F

Y

I

I

N

T

G

G

S
x
E

T
|
T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

active site: G15 (= G13), E101 (≠ Q98), S137 (= S134), Q147 (= Q144), Y150 (= Y147), K154 (= K151)
binding calcium ion: E232 (≠ S229), T233 (= T230)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (= S11), R14 (= R12), I16 (= I14), A35 (≠ Y33), T36 (≠ A34), L57 (≠ T51), N58 (≠ Y52), V59 (≠ K53), N85 (= N82), A86 (= A83), G87 (= G84), I88 (= I85), T108 (= T105), I135 (= I132), G136 (≠ S133), S137 (= S134), Y150 (= Y147), K154 (= K151), P180 (= P177), G181 (= G178), F182 (≠ Y179), I183 (= I180)

5ovkA Crystal structure maba bound to NADPH from m. Smegmatis (see paper)
43% identity, 98% coverage: 1:235/240 of query aligns to 9:236/242 of 5ovkA

query
sites
5ovkA

M

V

A

S

R

R

N

S

A

V

L

L

V

V

T

T

G
|
G

G

G

S
x
N

R
|
R

G
|
G

I

I

G

G

A

L

A

A

I

I

S

A

Q

R

A

R

L

L

K

A

A

A

E

D

G

G

Y

H

T

K

V

V

A

A

A

V

T

T

Y

H

A
x
R

G

G

N

S

D

G

E

A

A

P

A

D

K

L

F

F

T

-

N

-

E

-

T

-

G

G

I

V

K

Q

T
x
C

Y
x
D

K
x
V

W

T

D

D

V

S

A

A

S

A

Y

V

E

D

D

R

S

A

A

-

G

-

I

F

A

K

K

E

V

V

E

E

A

E

D

H

I

Q

G

G

P

P

I

V

D

E

I

V

V

L

V

V

A

A

N

N

A
|
A

G
|
G

I
|
I

T

S

R

K

D

D

A

A

P

F

F

L

H

M

K

R

M

M

T

T

L

E

E

E

Q

R

W

F

Q

E

V

V

I

I

D

N

T
|
T

N

N

L

L

T

T

G

G

V

A

F

F

N

R

T

C

V

A

H

Q

P

R

I

A

W

S

P

R

G

T

M

M

R

Q

E

R

R

K

K

R

F

F

G

G

R

R

V

I

I

I

V

F

I

I

S

G

S
|
S

I

V

N

S

G

G

Q

M

K

W

G

G

Q

I

F

G

A

N

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K

K

A

A

G

G

D

L

L

I

G

G

I

M

V

A

K

R

S

S

L

I

A

S

Q

R

E

E

G

L

A

A

R

K

A

A

G

G

I

V

T

T

A

A

N

N

A

V

I

V

C

A

P

P

G

G

Y

Y

I

I

A

D

T

T

E

E

M

M

V

T

M

R

A

A

V

L

P

D

E

E

K

R

V

I

R

Q

E

A

S

G

I

A

I

L

G

D

Q

F

I

I

P

P

A

A

G

K

R

R

L

V

G

G

E

T

P

A

E

E

I

V

A

A

R

G

C

A

V

V

A

S

F

F

L

L

A

A

S

S

E

E

D

D

S

A

G

S

F

Y

I

I

N

A

G

G

S

A

T

V

I

I

S

P

A

V

N

D

G

G

active site: G21 (= G13), S135 (= S134), Y148 (= Y147)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G9), N19 (≠ S11), R20 (= R12), R42 (≠ A34), C55 (≠ T51), D56 (≠ Y52), V57 (≠ K53), A84 (= A83), G85 (= G84), I86 (= I85), T106 (= T105)

5ovlA Crystal structure of maba bound to NADP+ from m. Smegmatis (see paper)
43% identity, 98% coverage: 1:235/240 of query aligns to 8:235/241 of 5ovlA

query
sites
5ovlA

M

V

A

S

R

R

N

S

A

V

L

L

V

V

T

T

G
|
G

G

G

S
x
N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

S

A

Q

R

A

R

L

L

K

A

A

A

E

D

G

G

Y

H

T

K

V

V

A

A

A

V

T

T

Y

H

A
x
R

G

G

N

S

D

G

E

A

A

P

A

D

K

L

F

F

T

-

N

-

E

-

T

-

G

G

I

V

K

Q

T
x
C

Y
x
D

K
x
V

W

T

D

D

V

S

A

A

S

A

Y

V

E

D

D

R

S

A

A

-

G

-

I

F

A

K

K

E

V

V

E

E

A

E

D

H

I

Q

G

G

P

P

I

V

D

E

I

V

V

L

V

V

A

A

N
|
N

A
|
A

G
|
G

I
|
I

T

S

R

K

D

D

A

A

P

F

F

L

H

M

K

R

M

M

T

T

L

E

E

E

Q

R

W

F

Q

E

V

V

I

I

D

N

T
|
T

N

N

L

L

T

T

G

G

V

A

F

F

N

R

T

C

V

A

H

Q

P

R

I

A

W

S

P

R

G

T

M

M

R

Q

E

R

R

K

K

R

F

F

G

G

R

R

V

I

I

I

V

F

I
|
I

S
x
G

S
|
S

I

V

N

S

G

G

Q

M

K

W

G

G

Q

I

F

G

A

N

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D
x
L

L

I

G

G

I

M

V

A

K

R

S

S

L

I

A

S

Q

R

E

E

G

L

A

A

R

K

A

A

G

G

I

V

T

T

A

A

N

N

A

V

I

V

C

A

P
|
P

G
|
G

Y
|
Y

I
|
I

A

D

T
|
T

E

E

M

M

V

T

M

R

A

A

V

L

P

D

E

E

K
x
R

V

I

R

Q

E

A

S

G

I

A

I

L

G

D

Q

F

I

I

P

P

A

A

G

K

R

R

L

V

G

G

E

T

P

A

E

E

I

V

A

A

R

G

C

A

V

V

A

S

F

F

L

L

A

A

S

S

E

E

D

D

S

A

G

S

F

Y

I

I

N

A

G

G

S

A

T

V

I

I

S

P

A

V

N

D

G

G

active site: G20 (= G13), S134 (= S134), Y147 (= Y147), L154 (≠ D154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G9), N18 (≠ S11), R19 (= R12), G20 (= G13), I21 (= I14), R41 (≠ A34), C54 (≠ T51), D55 (≠ Y52), V56 (≠ K53), N82 (= N82), A83 (= A83), G84 (= G84), I85 (= I85), T105 (= T105), I132 (= I132), G133 (≠ S133), S134 (= S134), Y147 (= Y147), K151 (= K151), P177 (= P177), G178 (= G178), Y179 (= Y179), I180 (= I180), T182 (= T182), R191 (≠ K191)

P71534 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-ACP reductase; Beta-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100; EC 1.1.1.36 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
43% identity, 98% coverage: 1:235/240 of query aligns to 22:249/255 of P71534

query
sites
P71534

M

V

A

S

R

R

N

S

A

V

L

L

V

V

T

T

G

G

S
x
N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

S

A

Q

R

A

R

L

L

K

A

A

A

E

D

G

G

Y

H

T

K

V

V

A

A

A

V

T

T

Y

H

A
x
R

G

G

N

S

D

G

E

A

A

P

A

D

K

L

F

F

T

-

N

-

E

-

T

-

G

G

I

V

K

Q

T

C

Y
x
D

K
x
V

W

T

D

D

V

S

A

A

S

A

Y

V

E

D

D

R

S

A

A

-

G

-

I

F

A

K

K

E

V

V

E

E

A

E

D

H

I

Q

G

G

P

P

I

V

D

E

I

V

V

L

V

V

A

A

N

N

A

A

G

G

I

I

T

S

R

K

D

D

A

A

P

F

F

L

H

M

K

R

M

M

T

T

L

E

E

E

Q

R

W

F

Q

E

V

V

I

I

D

N

T

T

N

N

L

L

T

T

G

G

V

A

F

F

N

R

T

C

V

A

H

Q

P

R

I

A

W

S

P

R

G

T

M

M

R

Q

E

R

R

K

K

R

F

F

G

G

R

R

V

I

I

I

V

F

I

I

S

G

S

S

I

V

N

S

G

G

Q

M

K

W

G

G

Q

I

F

G

A

N

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

M

V

A

K

R

S

S

L

I

A

S

Q

R

E

E

G

L

A

A

R

K

A

A

G

G

I

V

T

T

A

A

N

N

A

V

I

V

C

A

P

P

G

G

Y

Y

I
|
I

A

D

T

T

E

E

M

M

V

T

M

R

A

A

V

L

P

D

E

E

K
x
R

V

I

R

Q

E

A

S

G

I

A

I

L

G

D

Q

F

I

I

P

P

A

A

G

K

R

R

L

V

G

G

E

T

P

A

E

E

I

V

A

A

R

G

C

A

V

V

A

S

F

F

L

L

A

A

S

S

E

E

D

D

S

A

G

S

F

Y

I

I

N

A

G

G

S

A

T

V

I

I

S

P

A

V

N

D

G

G

NRGI 32:35 (≠ SRGI 11:14) binding
R55 (≠ A34) binding
DV 69:70 (≠ YK 52:53) binding
Y161 (= Y147) binding
K165 (= K151) binding
I194 (= I180) binding
R205 (≠ K191) binding

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
43% identity, 98% coverage: 5:240/240 of query aligns to 7:243/243 of 1q7cA

query
sites
1q7cA

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

S

A

Q

E

A

T

L

L

K

A

A

A

E

R

G

G

Y

A

T

K

V

V

A

I

A

G

T

T

Y
x
A

A
x
T

G

S

N

E

D

N

E

G

A

A

A

Q

A

A

K

I

F

S

-

D

-

Y

-

L

-

G

T

A

N

N

E

G

T

K

G

G

I

L

K

M

T
x
L

Y
x
N

K
x
V

W

T

D

D

V

P

A

A

S

S

Y

I

E

E

D

S

S

V

A

-

G

-

I

L

A

E

K

K

V

I

E

R

A

A

D

E

I

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

L

D

E

E

Q

E

W

W

Q

N

Q

D

V

I

I

I

D

E

T
|
T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

I

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

V

I

I

I

V

T

I

I

S

G

S
|
S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

G

A

G

Q
|
Q

V

A

N

N

Y
x
F

A

A

T

A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

F

I

I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

S

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

A

Q

Q

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

G

P

A

E

Q

E

E

I

I

A

A

R

N

C

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

D

E

S

A

G

A

F

Y

I

I

N

T

G

G

S

E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

active site: G15 (= G13), S137 (= S134), Q147 (= Q144), F150 (≠ Y147), K154 (= K151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (= S11), R14 (= R12), A35 (≠ Y33), T36 (≠ A34), L57 (≠ T51), N58 (≠ Y52), V59 (≠ K53), A86 (= A83), G87 (= G84), I88 (= I85), T108 (= T105)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
43% identity, 96% coverage: 5:235/240 of query aligns to 10:240/244 of 4nbuB

query
sites
4nbuB

A

A

L

I

V

I

T

T

G
|
G

G

A

S
x
A

R
x
N

G
|
G

I
|
I

G

G

A

L

A

E

I

A

S

A

Q

R

A

V

L

F

K

M

A

K

E

E

G

G

Y

A

T

K

V

V

A

-

T

V

Y

I

A

A

G
x
D

N
x
F

D
x
N

E

E

A

A

A

G

K

K

F

E

T

A

N

V

E

E

T

A

-

N

-

P

G

G

I

V

K

V

T

F

Y

I

K

R

W
x
V

D
|
D

V
|
V

A

S

S

D

Y

R

E

E

D

S

S

V

A

H

A

R

G

L

I

V

A

E

K

N

V

V

E

A

A

E

D

R

I

F

G

G

P

K

I

I

D

D

I

I

V

L

V

I

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T
|
T

R

R

D
|
D

A

S

P

M

F

L

H

S

K
|
K

M

M

T

T

L

V

E

D

Q

Q

W

F

Q

Q

V

V

I

I

D

N

T
x
V

N
|
N

L

L

T

T

G

G

V

V

F

F

N

H

T

C

V

T

H

Q

P

A

I

V

W

L

P

P

G

Y

M

M

R

A

E

E

R

Q

K

G

F

K

G

G

R

K

V

I

I

I

V

N

I
x
T

S
|
S

I

V

N
x
T

G

G

Q

T

K

Y

G

G

Q
x
N

F
x
V

A
x
G

Q
|
Q

V

T

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D

V

L

I

G

G

I

M

V

T

K

K

S

T

L

W

A

A

Q

K

E

E

G

L

A

A

R

R

A

K

G

G

I

I

T

N

A

V

N

N

A

A

I

V

C

A

P
|
P

G
|
G

Y
x
F

I
x
T

A

E

T
|
T

E
x
A

M
|
M

V
|
V

M

A

A

E

V

V

P

P

E

E

K

K

V

V

R

I

E

E

S
x
K

I

M

I

K

G

A

Q

Q

I

V

P

P

A

M

G

G

R

R

L

L

G

G

E

K

P

P

E

E

E

D

I

I

A

A

R

N

C

A

V

Y

A

L

F

F

L

L

A

A

S

S

E

H

D

E

S

S

G

D

F

Y

I

V

N

N

G

G

S

H

T

V

I

L

S

H

A

V

N

D

G

G

active site: G18 (= G13), N111 (= N106), S139 (= S134), Q149 (= Q144), Y152 (= Y147), K156 (= K151)
binding acetoacetyl-coenzyme a: T91 (= T86), D93 (= D88), K98 (= K93), S139 (= S134), T141 (≠ N136), N146 (≠ Q141), V147 (≠ F142), G148 (≠ A143), Q149 (= Q144), Y152 (= Y147), F184 (≠ Y179), M189 (= M184), K200 (≠ S195)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G9), A16 (≠ S11), N17 (≠ R12), G18 (= G13), I19 (= I14), D38 (≠ G35), F39 (≠ N36), N40 (≠ D37), V59 (≠ W54), D60 (= D55), V61 (= V56), N87 (= N82), A88 (= A83), G89 (= G84), I90 (= I85), V110 (≠ T105), T137 (≠ I132), S138 (= S133), S139 (= S134), Y152 (= Y147), K156 (= K151), P182 (= P177), G183 (= G178), F184 (≠ Y179), T185 (≠ I180), T187 (= T182), A188 (≠ E183), M189 (= M184), V190 (= V185)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
43% identity, 98% coverage: 5:240/240 of query aligns to 8:244/244 of 6t77A

query
sites
6t77A

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

S

A

Q

E

A

T

L

L

K

V

A

A

E

R

G

G

Y

A

T

K

V

V

-

I

-

G

A

T

A
|
A

T
|
T

Y

S

A

E

G

S

N

G

D

A

E

Q

A

A

A

I

A

S

K

D

F

Y

-

L

-

G

T

A

N

N

E

G

T

K

G

G

I

L

K

M

T
x
L

Y
x
N

K
x
V

W

T

D

D

V

P

A

A

S

S

Y

I

E

E

D

S

S

V

A

-

G

-

I

L

A

E

K

N

V

V

E

R

A

A

D

E

I

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

L

D

E

D

Q

E

W

W

Q

N

Q

D

V

I

I

I

D

E

T
|
T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

I

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

V

I

I

I

V

T

I

I

S

G

S
|
S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

A

A

G

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K

K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T