SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Dsui_2538 FitnessBrowser__PS:Dsui_2538 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)

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)
57% identity, 98% coverage: 3:244/246 of query aligns to 4:244/246 of P14697

query
sites
P14697

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GGI 13:15 (≠ GGL 12:14) binding
G35 (≠ H34) binding
R40 (≠ K39) 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 (≠ GDV 60:62) binding
NAGIT 88:92 (= NAGIT 88:92) binding
D94 (= D94) mutation to A: About 6% of wild-type activity.
K99 (= K99) mutation to A: Nearly loss of activity.
Q147 (= Q147) mutation to A: About 30% of wild-type activity.
F148 (≠ A148) mutation to A: About 30% of wild-type activity.
Q150 (= Q150) mutation to A: About 20% of wild-type activity.
T173 (≠ A173) 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 (≠ PGYV 183:186) binding
Y185 (= Y185) mutation to A: Nearly loss of activity.
R195 (= R195) mutation to A: Nearly loss of activity.

3vzsB Crystal structure of phab from ralstonia eutropha in complex with acetoacetyl-coa and NADP (see paper)
57% identity, 98% coverage: 3:244/246 of query aligns to 7:247/249 of 3vzsB

query
sites
3vzsB

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active site: N115 (= N112), S143 (= S140), Y156 (= Y153), K160 (= K157)
binding acetoacetyl-coenzyme a: T95 (= T92), D97 (= D94), Q150 (= Q147), F151 (≠ A148), Q153 (= Q150), Y156 (= Y153), G187 (= G184), Y188 (= Y185), M193 (= M190), R198 (= R195), V201 (≠ I198)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), I18 (≠ L14), C37 (≠ Y33), G38 (≠ H34), R43 (≠ K39), G63 (= G60), N64 (≠ D61), V65 (= V62), A92 (= A89), G93 (= G90), I94 (= I91), T95 (= T92), T114 (= T111), P186 (= P183), G187 (= G184), I189 (≠ V186), T191 (= T188), M193 (= M190), V194 (= V191)

5vmlA Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b with bound NADP
56% identity, 98% coverage: 3:244/246 of query aligns to 3:243/245 of 5vmlA

query
sites
5vmlA

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active site: G13 (= G13), N111 (= N112), S139 (= S140), Y152 (= Y153), K156 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G9), M11 (≠ L11), G12 (= G12), G13 (= G13), I14 (≠ L14), C33 (≠ Y33), G34 (≠ H34), S37 (≠ F37), R39 (≠ K39), G59 (= G60), N60 (≠ D61), V61 (= V62), N87 (= N88), A88 (= A89), G89 (= G90), I90 (= I91), T110 (= T111), I137 (= I138), S138 (= S139), S139 (= S140), Y152 (= Y153), K156 (= K157), P182 (= P183), G183 (= G184), Y184 (= Y185), I185 (≠ V186), T187 (= T188), V190 (= V191)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
57% identity, 99% coverage: 3:246/246 of query aligns to 2:245/245 of 4k6fB

query
sites
4k6fB

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H

active site: G12 (= G13), N102 (≠ Q104), S138 (= S140), Y151 (= Y153), K155 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), Y32 (= Y33), S33 (≠ H34), N36 (≠ F37), V58 (≠ G60), D59 (= D61), V60 (= V62), A87 (= A89), G88 (= G90), I89 (= I91), T109 (= T111)

5vt6A Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b complexed with NADP
49% identity, 98% coverage: 3:244/246 of query aligns to 2:243/245 of 5vt6A

query
sites
5vt6A

K

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F

F

N

N

V

V

T

T

H

K

H

Q

V

F

A

I

A

A

K

G

M

M

G

V

E

E

R

R

G

R

W

F

G

G

R

R

I

I

V

V

N

N

I
|
I

S
x
G

S
|
S

V

V

N

N

G

G

V

S

K

R

G

G

Q

A

A

F

G

G

Q

Q

T

A

N

N

Y
|
Y

S

A

A

S

A

A

K
|
K

A

A

G

G

V

I

I

H

G

G

F

F

T

T

K

K

A

T

L

L

A

A

Q

L

E

E

F

T

A

A

A

K

K

R

G

G

V

I

T

T

V

V

N

N

A

T

I

V

A

S

P
|
P

G
|
G

Y
|
Y

V
x
L

A

A

T
|
T

K

A

M

M

V

V

T

E

A

A

I

V

R

P

E

Q

D

D

I

V

L

L

K

E

G

A

-

K

I

I

I

L

D

P

S

Q

V

I

P

P

M

V

K

G

R

R

L

L

A

G

K

R

P

P

E

D

E

E

I

V

G

A

A

A

A

L

V

I

V

A

Y

F

L

L

T

C

S

S

E

D

L

D

A

A

G

G

F

F

V

V

T

T

G

G

A

A

T

D

L

L

N

A

I

I

N

N

G

G

L

M

Y

H

active site: G12 (= G13), D102 (≠ Q104), S138 (= S140), Y151 (= Y153), K155 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), G11 (= G12), G12 (= G13), L13 (= L14), H32 (≠ Y33), S33 (≠ H34), N36 (≠ F37), V58 (≠ G60), D59 (= D61), V60 (= V62), N86 (= N88), A87 (= A89), G88 (= G90), I89 (= I91), T109 (= T111), I136 (= I138), G137 (≠ S139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), Y183 (= Y185), L184 (≠ V186), T186 (= T188)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
42% identity, 99% coverage: 1:244/246 of query aligns to 3:245/246 of 3osuA

query
sites
3osuA

M

M

S

T

K

K

V

S

A

A

L

L

V

V

T

T

G

G

A

A

L

S

G

R

G
|
G

L

I

G

G

T

R

A

S

I

I

S

A

Q

L

A

Q

L

L

A

A

K

E

E

E

G

G

Y

Y

K

N

V

V

V

A

A

V

A

N

Y

Y

H

A

P

G

E

S

F

K

D

E

K

K

K

A

E

E

E

A

W

V

L

V

A

E

E

E

Q

I

E

K

A

A

A

K

G

G

F

V

K

D

D

S

F

F

V

A

L

-

V

I

P

Q

G

A

D

N

V

V

S

A

D

D

Y

A

E

D

S

E

A

V

K

K

A

A

M

M

I

I

A

K

E

E

A

V

E

V

A

S

K

Q

A

F

G

G

P

S

I

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

E

G

Q

Q

E

W

W

D

D

A

D

V

V

I

I

N

D

T

T

N

N

L

L

N

K

S

G

L

V

F

F

N

N

V

C

T

I

H

Q

H

K

V

A

A

T

A

P

K

Q

M

M

G

L

E

R

R

Q

G

R

W

S

G

G

R

A

I

I

V

I

N

N

I

L

S

S

S
|
S

V

V

N

V

G

G

V

A

K

V

G

G

Q

N

A

P

G

G

Q
|
Q

T

A

N

N

Y
|
Y

S

V

A

A

A

T

K
|
K

A

A

G

G

V

V

I

I

G

G

F

L

T

T

K

K

A

S

L

A

A

A

Q

R

E

E

F

L

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

Y

F

V

I

A

V

T

S

K

D

M

M

V

T

T

D

A

A

I

L

R

S

E

D

D

E

I

L

L

K

K

E

G

Q

I

M

I

L

D

T

S

Q

V

I

P

P

M

L

K

A

R

R

L

F

A

G

K

Q

P

D

E

T

E

D

I

I

G

A

A

N

A

T

V

V

V

A

Y

F

L

L

T

A

S

S

E

D

L

K

A

A

G

K

F

Y

V

I

T

T

G

G

A

Q

T

T

L

I

N

H

I

V

N

N

G

G

L

M

Y

Y

active site: G15 (= G13), S141 (= S140), Q151 (= Q150), Y154 (= Y153), K158 (= K157)
binding magnesium ion: N89 (= N88), K158 (= K157)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
44% identity, 98% coverage: 3:244/246 of query aligns to 5:241/243 of 7emgB

query
sites
7emgB

K

K

V

I

A

V

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G

G

L

I

G

G

T

R

A

A

I

I

S

A

Q

E

A

T

L

F

A

V

K

A

E

R

G

G

Y

A

K

K

V

V

V

I

A

G

A

T

Y
x
A

H
x
T

P

S

E

E

F

-

D

-

K

S

K

G

E

A

E

E

W

A

L

I

A

S

E

G

Q

Y

E

L

A

G

A

A

G

N

F

G

K

K

D

G

F

F

V

M

L
|
L

V

-

P

-

G

-

D
x
N

V
|
V

S
x
K

D

D

Y

A

E

Q

S

S

A

I

K

D

A

S

M

V

I

L

A

A

E

S

A

I

E

R

A

A

K

E

A

F

G

G

P

E

I

I

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

D

G

D

Q

E

W

W

D

E

A

D

V

I

I

L

N

D

T
|
T

N

N

L

L

N

T

S

S

L

V

F

F

N

R

V

L

T

S

H

K

H

A

V

V

A

M

A

C

K

A

M

M

G

M

E

K

R

K

G

R

W

F

G

G

R

R

I

I

V

I

N

T

I

I

S

G

S

S

V

V

N

V

G

G

V

T

K

M

G

G

Q

N

A

A

G

G

Q

Q

T

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

F

V

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

Y

V

I

A

E

T

T

K

D

M
|
M

V

T

T

R

A

A

I

L

R

T

E

D

D

D

I

Q

L

R

K

A

G

G

I

I

I

L

D

S

S

S

V

V

P

P

M

A

K

N

R

R

L

P

A

G

K

D

P

A

E

K

E

E

I

I

G

A

A

S

A

A

V

V

V

A

Y

F

L

L

T

A

S

S

E

D

L

E

A

A

G

G

F

Y

V

I

T

T

G

G

A

E

T

T

L

L

N

H

I

V

N

N

G

G

L

M

Y

Y

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ L11), R14 (≠ G12), A35 (≠ Y33), T36 (≠ H34), L57 (= L57), N58 (≠ D61), V59 (= V62), K60 (≠ S63), A86 (= A89), G87 (= G90), I88 (= I91), T108 (= T111), M187 (= M190)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
42% identity, 99% coverage: 2:244/246 of query aligns to 1:238/239 of 3sj7A

query
sites
3sj7A

S

T

K

K

V

S

A

A

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

T

R

A

S

I

I

S

A

Q

L

A

Q

L

L

A

A

K

E

E

E

G

G

Y

Y

K

N

V

V

V

A

A

V

A
x
N

Y
|
Y

H
x
A

P
x
G

E
x
S

F

K

D

E

K

K

K

A

E

E

E

A

W

V

L

V

A

E

E

E

Q

I

E

K

A

A

A

K

G

G

F

V

K

D

D

S

F

F

V

A

L

-

V

I

P

Q

G
x
A

D
x
N

V
|
V

S

A

D

D

Y

A

E

D

S

E

A

V

K

K

A

A

M

M

I

I

A

K

E

E

A

V

E

V

A

S

K

Q

A

F

G

G

P

S

I

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

E

G

Q

Q

E

W

W

D

D

A

D

V

V

I

I

N

D

T
|
T

N

N

L

L

N

K

S

G

L

V

F

F

N

N

V

C

T

I

H

Q

H

K

V

A

A

T

A

P

K

Q

M

M

G

L

E

R

R

Q

G

R

W

S

G

G

R

A

I

I

V

I

N

N

I
x
L

S
|
S

V

V

N

V

G

G

V

A

K

V

G

G

Q

N

A

P

G

G

Q
|
Q

T

A

N

N

Y
|
Y

S

V

A

A

A

T

K
|
K

A

A

G

G

V

V

I

I

G

G

F

L

T

T

K

K

A

S

L

A

A

A

Q

R

E

E

F

L

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

A

I

V

A

A

P
|
P

G
|
G

Y
x
F

V
x
I

A

V

T

S

K

D

M

M

V

T

T

D

A

E

I

L

R

K

E

E

D

Q

I

M

L

L

K

T

G

-

I

-

D

-

S

Q

V

I

P

P

M

L

K

A

R

R

L

F

A

G

K

Q

P

D

E

T

E

D

I

I

G

A

A

N

A

T

V

V

V

A

Y

F

L

L

T

A

S

S

E

D

L

K

A

A

G

K

F

Y

V

I

T

T

G

G

A

Q

T

T

L

I

N

H

I

V

N

N

G

G

L

M

Y

Y

active site: G12 (= G13), S138 (= S140), Q148 (= Q150), Y151 (= Y153), K155 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), S10 (≠ L11), R11 (≠ G12), G12 (= G13), I13 (≠ L14), N31 (≠ A32), Y32 (= Y33), A33 (≠ H34), G34 (≠ P35), S35 (≠ E36), A58 (≠ G60), N59 (≠ D61), V60 (= V62), N86 (= N88), A87 (= A89), G88 (= G90), I89 (= I91), T109 (= T111), L136 (≠ I138), S137 (= S139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), F183 (≠ Y185), I184 (≠ V186)

P0A2C9 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 Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
43% identity, 98% coverage: 3:244/246 of query aligns to 6:242/244 of P0A2C9

query
sites
P0A2C9

K

K

V

I

A

A

L

L

V

V

T

T

G

G

A

A

L

S

G

R

G

G

L

I

G

G

T

R

A

A

I

I

S

A

Q

E

A

T

L

L

A

V

K

A

E

R

G

G

Y

A

K

K

V

V

V

I

A

G

A

T

Y

A

H

T

P

S

E

E

F

N

D

G

K

A

K

K

E

N

E

-

W

-

L

I

A

S

E

D

Q

Y

E

L

A

G

A

A

G

N

F

G

K

K

D

G

F

L

V

M

L

L

V

-

P

-

G

-

D

N

V

V

S

T

D

D

Y

P

E

A

S

S

A

I

K

E

A

S

M

V

I

L

A

E

E

N

A

I

E

R

A

A

K

E

A

F

G

G

P

E

I

V

D

D

I

I

L

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

D

G

D

Q

E

W

W

D

N

A

D

V

I

I

I

N

E

T

T

N

N

L

L

N

S

S

S

L

V

F

F

N

R

V

L

T

S

H

K

H

A

V

V

A

M

A

R

K

A

M
|
M

G

M

E

K

R

K

G

R

W

C

G

G

R

R

I

I

V

I

N

T

I

I

S

G

S

S

V

V

N

V

G

G

V

T

K

M

G

G

Q

N

A

A

G

G

Q

Q

T

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

F

V

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

V

I

A

E

T

T

K

D

M

M

V

T

T

R

A

A

I

L

R

S

E

D

D

D

I

Q

L

R

K

A

G

G

I

I

I

L

D

A

S

Q

V

V

P

P

M

A

K

G

R

R

L

L

A

G

K

G

P

A

E

Q

E

E

I

I

G

A

A

S

A

A

V

V

V

A

Y

F

L

L

T
x
A

S
|
S

E

D

L

E

A

A

G

S

F

Y

V

I

T

T

G

G

A

E

T

T

L

L

N

H

I

V

N

N

G

G

L

M

Y

Y

M125 (= M127) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (≠ T225) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S226) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
43% identity, 98% coverage: 3:244/246 of query aligns to 6:242/244 of 6t77A

query
sites
6t77A

K

K

V

I

A

A

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G
|
G

L

I

G

G

T

R

A

A

I

I

S

A

Q

E

A

T

L

L

A

V

K

A

E

R

G

G

Y

A

K

K

V

V

V

I

A

G

A

T

Y
x
A

H
x
T

P

S

E

E

F

-

D

-

K

S

K

G

E

A

E

Q

W

A

L

I

A

S

E

D

Q

Y

E

L

A

G

A

A

G

N

F

G

K

K

D

G

F

L

V

M

L
|
L

V

-

P

-

G

-

D
x
N

V
|
V

S

T

D

D

Y

P

E

A

S

S

A

I

K

E

A

S

M

V

I

L

A

E

E

N

A

V

E

R

A

A

K

E

A

F

G

G

P

E

I

V

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

D

G

D

Q

E

W

W

D

N

A

D

V

I

I

I

N

E

T
|
T

N

N

L

L

N

S

S

S

L

V

F

F

N

R

V

L

T

S

H

K

H

A

V

V

A

M

A

R

K

A

M

M

G

M

E

K

R

K

G

R

W

H

G

G

R

R

I

I

V

I

N

T

I

I

S

G

S
|
S

V

V

N

V

G

G

V

T

K

M

G

G

Q

N

A

A

G

G

Q

Q

T

A

N

N

Y
|
Y

S

A

A

A

K

K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

F

V

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

V

I

A

E

T

T

K

D

M

M

V

T

T

R

A

A

I

L

R

T

E

D

D

E

I

Q

L

R

K

A

G

G

I

T

I

L

D

A

S

A

V

V

P

P

M

A

K

G

R

R

L

L

A

G

K

T

P

P

E

N

E

E

I

I

G

A

A

S

A

A

V

V

V

A

Y

F

L

L

T

A

S

S

E

D

L

E

A

A

G

S

F

Y

V

I

T

T

G

G

A

E

T

T

L

L

N

H

I

V

N

N

G

G

L

M

Y

Y

active site: G16 (= G13), S138 (= S140), Y151 (= Y153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ L11), R15 (≠ G12), A36 (≠ Y33), T37 (≠ H34), L58 (= L57), N59 (≠ D61), V60 (= V62), A87 (= A89), G88 (= G90), I89 (= I91), T109 (= T111)

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: 3:244/246 of query aligns to 6:242/244 of P0AEK2

query
sites
P0AEK2

K

K

V

I

A

A

L

L

V

V

T

T

G
|
G

A
|
A

L
x
S

G
x
R

G

G

L

I

G

G

T

R

A

A

I

I

S

A

Q

E

A

T

L

L

A

A

K

A

E

R

G

G

Y

A

K

K

V

V

V

I

A

G

A

T

Y

A

H
x
T

P

S

E

E

F

-

D

-

K

N

K

G

E

A

E

Q

W

A

L

I

A

S

E

D

Q

Y

E

L

A

G

A

A

G

N

F

G

K

K

D

G

F

L

V

M

L

L

V

-

P

-

G

-

D
x
N

V
|
V

S

T

D

D

Y

P

E

A

S

S

A

I

K

E

A

S

M

V

I

L

A

E

E

K

A

I

E

R

A

A

K

E

A

F

G

G

P

E

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

D

G

E

Q

E

W

W

D

N

A

D

V

I

I

I

N

E

T

T

N

N

L

L

N

S

S

S

L

V

F

F

N

R

V

L

T

S

H

K

H

A

V

V

A

M

A

R

K

A

M

M

G

M

E

K

R

K

G

R

W

H

G

G

R

R

I

I

V

I

N

T

I

I

S

G

S

S

V

V

N

V

G

G

V

T

K

M

G

G

Q

N

A

G

G

G

Q

Q

T

A

N

N

Y
|
Y

S
x
A

A
|
A

K
|
K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

F

V

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

V
x
I

A

E

T

T

K

D

M

M

V

T

T

R

A

A

I

L

R

S

E

D

D

D

I

Q

L

R

K

A

G

G

I

I

I

L

D

A

S

Q

V

V

P

P

M

A

K

G

R

R

L

L

A

G

K

G

P

A

E

Q

E

E

I

I

G

A

A

N

A

A

V

V

V

A

Y

F

L

L

T

A

S

S

E

D

L

E

A

A

G

A

F

Y

V

I

T

T

G

G

A
x
E

T

T

L

L

N

H

I

V

N

N

G

G

L

M

Y

Y

GASR 12:15 (≠ GALG 9:12) binding
T37 (≠ H34) binding
NV 59:60 (≠ DV 61:62) binding
N86 (= N88) binding
Y151 (= Y153) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSAAK 153:157) binding
A154 (= A156) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K157) mutation to A: Defect in the affinity for NADPH.
I184 (≠ V186) binding
E233 (≠ A235) 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: 3:244/246 of query aligns to 5:241/243 of 1q7bA

query
sites
1q7bA

K

K

V

I

A

A

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

T

R

A

A

I

I

S

A

Q

E

A

T

L

L

A

A

K

A

E

R

G

G

Y

A

K

K

V

V

V

I

A

G

A

T

Y
x
A

H
x
T

P

S

E

E

F

-

D

-

K

N

K

G

E

A

E

Q

W

A

L

I

A

S

E

D

Q

Y

E

L

A

G

A

A

G

N

F

G

K

K

D

G

F

L

V

M

L
|
L

V

-

P

-

G

-

D
x
N

V
|
V

S

T

D

D

Y

P

E

A

S

S

A

I

K

E

A

S

M

V

I

L

A

E

E

K

A

I

E

R

A

A

K

E

A

F

G

G

P

E

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

D

G

E

Q
x
E

W

W

D

N

A

D

V

I

I

I

N

E

T
|
T

N

N

L

L

N

S

S

S

L

V

F

F

N

R

V

L

T

S

H

K

H

A

V

V

A

M

A

R

K

A

M

M

G

M

E

K

R

K

G

R

W

H

G

G

R

R

I

I

V

I

N

T

I
|
I

S
x
G

S
|
S

V

V

N

V

G

G

V

T

K

M

G

G

Q

N

A

G

G

G

Q
|
Q

T

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

F

V

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

V

I

V

A

A

P
|
P

G
|
G

Y
x
F

V
x
I

A

E

T

T

K

D

M

M

V

T

T

R

A

A

I

L

R

S

E

D

D

D

I

Q

L

R

K

A

G

G

I

I

I

L

D

A

S

Q

V

V

P

P

M

A

K

G

R

R

L

L

A

G

K

G

P

A

E

Q

E

E

I

I

G

A

A

N

A

A

V

V

V

A

Y

F

L

L

T

A

S

S

E

D

L

E

A

A

G

A

F

Y

V

I

T

T

G

G

A
x
E

T
|
T

L

L

N

H

I

V

N

N

G

G

L

M

Y

Y

active site: G15 (= G13), E101 (≠ Q104), S137 (= S140), Q147 (= Q150), Y150 (= Y153), K154 (= K157)
binding calcium ion: E232 (≠ A235), T233 (= T236)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ L11), R14 (≠ G12), I16 (≠ L14), A35 (≠ Y33), T36 (≠ H34), L57 (= L57), N58 (≠ D61), V59 (= V62), N85 (= N88), A86 (= A89), G87 (= G90), I88 (= I91), T108 (= T111), I135 (= I138), G136 (≠ S139), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), F182 (≠ Y185), I183 (≠ V186)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
43% identity, 98% coverage: 3:244/246 of query aligns to 5:241/243 of 1q7cA

query
sites
1q7cA

K

K

V

I

A

A

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G
|
G

L

I

G

G

T

R

A

A

I

I

S

A

Q

E

A

T

L

L

A

A

K

A

E

R

G

G

Y

A

K

K

V

V

V

I

A

G

A

T

Y
x
A

H
x
T

P

S

E

E

F

-

D

-

K

N

K

G

E

A

E

Q

W

A

L

I

A

S

E

D

Q

Y

E

L

A

G

A

A

G

N

F

G

K

K

D

G

F

L

V

M

L
|
L

V

-

P

-

G

-

D
x
N

V
|
V

S

T

D

D

Y

P

E

A

S

S

A

I

K

E

A

S

M

V

I

L

A

E

E

K

A

I

E

R

A

A

K

E

A

F

G

G

P

E

I

V

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

D

G

E

Q

E

W

W

D

N

A

D

V

I

I

I

N

E

T
|
T

N

N

L

L

N

S

S

S

L

V

F

F

N

R

V

L

T

S

H

K

H

A

V

V

A

M

A

R

K

A

M

M

G

M

E

K

R

K

G

R

W

H

G

G

R

R

I

I

V

I

N

T

I

I

S

G

S
|
S

V

V

N

V

G

G

V

T

K

M

G

G

Q

N

A

G

G

G

Q
|
Q

T

A

N

N

Y
x
F

S

A

A

A

K
|
K

A

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

F

V

A

A

A

S

K

R

G

G

V

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

V

I

A

E

T

T

K

D

M

M

V

T

T

R

A

A

I

L

R

S

E

D

D

D

I

Q

L

R

K

A

G

G

I

I

I

L

D

A

S

Q

V

V

P

P

M

A

K

G

R

R

L

L

A

G

K

G

P

A

E

Q

E

E

I

I

G

A

A

N

A

A

V

V

V

A

Y

F

L

L

T

A

S

S

E

D

L

E

A

A

G

A

F

Y

V

I

T

T

G

G

A

E

T

T

L

L

N

H

I

V

N

N

G

G

L

M

Y

Y

active site: G15 (= G13), S137 (= S140), Q147 (= Q150), F150 (≠ Y153), K154 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ L11), R14 (≠ G12), A35 (≠ Y33), T36 (≠ H34), L57 (= L57), N58 (≠ D61), V59 (= V62), A86 (= A89), G87 (= G90), I88 (= I91), T108 (= T111)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
41% identity, 98% coverage: 3:244/246 of query aligns to 6:242/244 of 6t62A

query
sites
6t62A

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

T

A

A

A

I

I

S

A

Q

Q

A

Q

L

L

A

I

K

Q

E

D

G

G

Y

Y

K

F

V

V

A

G

A

T

Y
x
A

H
x
T

P

S

E

E

F

S

-

G

-

A

D

Q

K

K

K

L

E

T

E

D

W

S

L

F

A

G

E

E

Q

Q

E

G

A

A

A

G

G

-

F

-

K

-

D

-

F

-

V

-

L

-

V

L

P

A

G
x
L

D
|
D

V
|
V

S
x
R

D

N

Y

L

E

D

S

E

A

I

K

E

A

A

M

V

I

V

A

S

E

H

A

I

E

E

A

Q

K

N

A

Y

G

G

P

P

I

V

D

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

K

N

F

L

V

L

K

R

M

M

D

S

K

E

G

D

Q

D

W

W

D

D

A

D

V

I

I

L

N

N

T
x
I

N
x
H

L

L

N

K

S

A

L

V

F

Y

N

R

V

L

T

S

H

K

H

R

V

V

A

L

A

K

K

G

M

M

G

T

E

K

R

A

G

R

W

F

G

G

R

R

I

I

V

I

N

N

I
|
I

S
|
S

V

V

N

V

G

A

V

H

K

F

G

A

Q

N

A

P

G

G

Q

Q

T

A

N

N

Y
|
Y

S

S

A

A

K
|
K

A

A

G

G

V

I

I

E

G

A

F

F

T

S

K

R

A

S

L

L

A

A

Q

K

E

E

F

M

A

G

A

S

K

R

G

Q

V

I

T

T

V

V

N

N

A

S

I

V

A

A

P
|
P

G
|
G

Y

F

V
x
I

A

A

T
|
T

K

E

M
|
M

V

T

T

D

A

A

I

L

R

S

E

E

D

D

I

I

L

R

K

K

G

K

I

M

I

S

D

D

S

Q

V

V

P

A

M

L

K

N

R

R

L

L

A

G

K

E

P

P

E

Q

E

D

I

I

G

A

A

N

A

A

V

V

V

S

Y

F

L

L

T

A

S

S

E

D

L

K

A

A

G

G

F

Y

V

I

T

T

G

G

A

T

T

V

L

L

N

H

I

V

N

N

G

G

L

L

Y

Y

active site: G16 (= G13), S138 (= S140), Y151 (= Y153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ L11), R15 (≠ G12), I17 (≠ L14), A36 (≠ Y33), T37 (≠ H34), L58 (≠ G60), D59 (= D61), V60 (= V62), R61 (≠ S63), N86 (= N88), A87 (= A89), G88 (= G90), I89 (= I91), I109 (≠ T111), H110 (≠ N112), I136 (= I138), S137 (= S139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), I184 (≠ V186), T186 (= T188), M188 (= M190)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
41% identity, 98% coverage: 3:244/246 of query aligns to 6:242/244 of 6wprA

query
sites
6wprA

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

T

A

A

A

I

I

S

A

Q

Q

A

Q

L

L

A

I

K

Q

E

D

G

G

Y

Y

K

F

V

V

A

G

A

T

Y
x
A

H
x
T

P

S

E

E

F

S

-

G

-

A

D

Q

K

K

K

L

E

T

E

D

W

S

L

F

A

G

E

E

Q

Q

E

G

A

A

A

G

G

-

F

-

K

-

D

-

F

-

V

-

L

-

V

L

P

A

G
x
L

D
|
D

V
|
V

S
x
R

D

N

Y

L

E

D

S

E

A

I

K

E

A

A

M

V

I

V

A

S

E

H

A

I

E

E

A

Q

K

N

A

Y

G

G

P

P

I

V

D

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

K

N

F

L

V

L

K

R

M

M

D

S

K

E

G

D

Q

D

W

W

D

D

A

D

V

I

I

L

N

N

T
x
I

N
x
H

L

L

N

K

S

A

L

V

F

Y

N

R

V

L

T

S

H

K

H

R

V

V

A

L

A

K

K

G

M

M

G

T

E

K

R

A

G

R

W

F

G

G

R

R

I

I

V

I

N

N

I
|
I

S
|
S

V

V

N

V

G

A

V

H

K

F

G

A

Q

N

A

P

G

G

Q

Q

T

A

N

N

Y
|
Y

S

S

A

A

K
|
K

A

A

G

G

V

I

I

E

G

A

F

F

T

S

K

R

A

S

L

L

A

A

Q

K

E

E

F

M

A

G

A

S

K

R

G

Q

V

I

T

T

V

V

N

N

A

S

I

V

A

A

P
|
P

G
|
G

Y

F

V
x
I

A

A

T
|
T

K

E

M

M

V

T

T

D

A

A

I

L

R

S

E

E

D

D

I

I

L

R

K

K

G

K

I

M

I

S

D

D

S

Q

V

V

P

A

M

L

K

N

R

R

L

L

A

G

K

E

P

P

E

Q

E

D

I

I

G

A

A

N

A

A

V

V

V

S

Y

F

L

L

T

A

S

S

E

D

L

K

A

A

G

G

F

Y

V

I

T

T

G

G

A

T

T

V

L

L

N

H

I

V

N

N

G

G

L

L

Y

Y

active site: G16 (= G13), S138 (= S140), Y151 (= Y153)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ L11), R15 (≠ G12), I17 (≠ L14), A36 (≠ Y33), T37 (≠ H34), L58 (≠ G60), D59 (= D61), V60 (= V62), R61 (≠ S63), N86 (= N88), A87 (= A89), G88 (= G90), I89 (= I91), I109 (≠ T111), H110 (≠ N112), I136 (= I138), S137 (= S139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), I184 (≠ V186), T186 (= T188)

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)
43% identity, 98% coverage: 3:244/246 of query aligns to 9:245/247 of 3op4A

query
sites
3op4A

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

T

K

A

A

I

I

S

A

Q

E

A

L

L

L

A

A

K

E

E

R

G

G

Y

A

K

K

V

V

V

I

A

G

A

T

Y
x
A

H
x
T

P

S

E

E

F

S

D

G

K

A

K

Q

-

A

-

I

E

S

E

D

W

Y

L

L

A

G

E

D

Q

N

E

G

A

-

G

-

F

-

K

K

D

G

F

M

V

A

L
|
L

V

-

P

-

G

-

D
x
N

V
|
V

S

T

D

N

Y

P

E

E

S

S

A

I

K

E

A

A

M

V

I

L

A

K

E

A

A

I

E

T

A

D

K

E

A

F

G

G

P

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

K

N

F

L

V

M

K

R

M

M

D

K

K

E

G

E

Q

E

W

W

D

S

A

D

V

I

I

M

N

E

T
|
T

N

N

L

L

N

T

S

S

L

I

F

F

N

R

V

L

T

S

H

K

H

A

V

V

A

L

A

R

K

G

M

M

G

M

E

K

R

K

G

R

W

Q

G

G

R

R

I

I

V

I

N

N

I
x
V

S
x
G

S
|
S

V

V

N

V

G

G

V

T

K

M

G

G

Q

N

A

A

G

G

Q

Q

T

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

V

V

I

I

G

G

F

F

T

T

K

K

A

S

L

M

A

A

Q

R

E

E

F

V

A

A

A

S

K

R

G

G

V

V

T

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

Y
x
F

V
x
I

A

E

T
|
T

K
x
D

M
|
M

V

T

T

K

A

A

I

L

R

N

E

D

D

E

I

Q

L

R

K

T

G

A

I

T

I

L

D

A

S

Q

V

V

P

P

M

A

K

G

R

R

L

L

A

G

K

D

P

P

E

R

E

E

I

I

G

A

A

S

A

A

V

V

V

A

Y

F

L

L

T

A

S

S

E

P

L

E

A

A

G

A

F

Y

V

I

T

T

G

G

A

E

T

T

L

L

N

H

I

V

N

N

G

G

L

M

Y

Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), S17 (≠ L11), R18 (≠ G12), G19 (= G13), I20 (≠ L14), A39 (≠ Y33), T40 (≠ H34), L61 (= L57), N62 (≠ D61), V63 (= V62), N89 (= N88), A90 (= A89), G91 (= G90), I92 (= I91), T112 (= T111), V139 (≠ I138), G140 (≠ S139), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), F186 (≠ Y185), I187 (≠ V186), T189 (= T188), D190 (≠ K189), M191 (= M190)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
45% identity, 98% coverage: 3:243/246 of query aligns to 8:242/244 of 4nbuB

query
sites
4nbuB

K

K

V

V

A

A

L

I

V

I

T

T

G
|
G

A

A

L
x
A

G
x
N

G
|
G

L
x
I

G

G

T

L

A

E

I

A

S

A

Q

R

A

V

L

F

A

M

K

K

E

E

G

G

Y

A

K

K

V

V

A

I

A

A

Y
x
D

H
x
F

P
x
N

E

E

F

A

D

A

K

G

K

K

E

E

E

A

W

V

L

E

A

A

E

N

Q

-

E

-

A

-

G

-

F

-

K

P

D

G

F

V

V

V

L

F

V

I

P

R

G
x
V

D
|
D

V
|
V

S

S

D

D

Y

R

E

E

S

S

A

V

K

H

A

R

M

L

I

V

A

E

E

N

A

V

E

A

A

E

K

R

A

F

G

G

P

K

I

I

D

D

I

I

L

L

V

I

N

N

N
|
N