SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 6937839 FitnessBrowser__SB2B:6937839 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)

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)
74% identity, 98% coverage: 5:248/248 of query aligns to 1:244/244 of P0AEK2

query
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P0AEK2

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GASR 12:15 (= GASR 16:19) binding
T37 (= T41) binding
NV 59:60 (= NV 63:64) binding
N86 (= N90) binding
Y151 (= Y155) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSAAK 155:159) binding
A154 (= A158) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K159) mutation to A: Defect in the affinity for NADPH.
I184 (= I188) binding
E233 (= E237) 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)
74% identity, 98% coverage: 6:248/248 of query aligns to 1:243/243 of 1q7bA

query
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1q7bA

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active site: G15 (= G20), E101 (= E106), S137 (= S142), Q147 (= Q152), Y150 (= Y155), K154 (= K159)
binding calcium ion: E232 (= E237), T233 (= T238)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), S13 (= S18), R14 (= R19), I16 (= I21), A35 (= A40), T36 (= T41), L57 (= L62), N58 (= N63), V59 (= V64), N85 (= N90), A86 (= A91), G87 (= G92), I88 (= I93), T108 (= T113), I135 (= I140), G136 (= G141), S137 (= S142), Y150 (= Y155), K154 (= K159), P180 (= P185), G181 (= G186), F182 (= F187), I183 (= I188)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
74% identity, 98% coverage: 6:248/248 of query aligns to 1:243/243 of 1q7cA

query
sites
1q7cA

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active site: G15 (= G20), S137 (= S142), Q147 (= Q152), F150 (≠ Y155), K154 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), S13 (= S18), R14 (= R19), A35 (= A40), T36 (= T41), L57 (= L62), N58 (= N63), V59 (= V64), A86 (= A91), G87 (= G92), I88 (= I93), T108 (= T113)

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)
72% identity, 98% coverage: 5:248/248 of query aligns to 4:247/247 of 3op4A

query
sites
3op4A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (= S18), R18 (= R19), G19 (= G20), I20 (= I21), A39 (= A40), T40 (= T41), L61 (= L62), N62 (= N63), V63 (= V64), N89 (= N90), A90 (= A91), G91 (= G92), I92 (= I93), T112 (= T113), V139 (≠ I140), G140 (= G141), S141 (= S142), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), F186 (= F187), I187 (= I188), T189 (= T190), D190 (= D191), M191 (= M192)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
72% identity, 98% coverage: 5:248/248 of query aligns to 1:244/244 of 6t77A

query
sites
6t77A

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A

P

P

G

G

F

F

I

I

Q

E

T

T

D

D

M

M

T

T

D

R

E

A

L

L

T

T

P

D

E

E

Q

Q

Q

R

Q

A

G

G

I

T

M

L

S

A

Q

A

V

V

P

P

M

A

E

G

R

R

L

L

G

G

Q

T

A

P

Q

N

E

E

I

I

A

A

N

S

A

A

V

V

L

A

F

F

L

L

A

A

S

S

D

D

A

E

A

A

A

S

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

V

V

active site: G16 (= G20), S138 (= S142), Y151 (= Y155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), S14 (= S18), R15 (= R19), A36 (= A40), T37 (= T41), L58 (= L62), N59 (= N63), V60 (= V64), A87 (= A91), G88 (= G92), I89 (= I93), T109 (= T113)

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)
72% identity, 98% coverage: 5:248/248 of query aligns to 1:244/244 of P0A2C9

query
sites
P0A2C9

L

M

D

S

L

F

T

E

G

G

K

K

V

I

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G

G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

T

T

L

L

A

V

E

A

A

R

G

G

A

A

T

K

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

E

K

N

G

G

A

A

A

K

A

N

I

I

S

S

D

D

Y

Y

L

L

G

G

D

A

K

N

G

G

F

K

G

G

L

L

V

M

L

L

N

N

V

V

T

T

S

D

S

P

E

A

S

S

V

I

A

E

E

S

M

V

Y

L

T

E

A

N

I

I

K

R

E

A

K

E

A

F

G

G

D

E

V

V

D

D

I

I

L

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

N

N

L

L

M

M

R

R

M

M

K

K

D

D

E

D

E

E

W

W

E

N

E

D

I

I

D

E

T

T

N

N

L

L

T

S

S

S

L

V

Y

F

R

R

L

L

S

S

K

K

P

A

V

V

M

M

R

R

S

A

M
|
M

M

M

K

K

R

R

H

C

G

G

R

R

I

I

S

T

I

I

G

G

S

S

V

V

G

G

T

T

M

M

G

G

N

N

A

A

G

G

Q

Q

V

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

L

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

A

S

S

R

R

Q

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

F

F

I

I

Q

E

T

T

D

D

M

M

T

T

D

R

E

A

L

L

T

S

P

D

E

D

Q

Q

Q

R

Q

A

G

G

I

I

M

L

S

A

Q

Q

V

V

P

P

M

A

E

G

R

R

L

L

G

G

Q

G

A

A

Q

Q

E

E

I

I

A

A

N

S

A

A

V

V

L

A

F

F

L

L

A
|
A

S
|
S

D

D

A

E

A

A

A

S

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

V

V

M125 (= M129) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A227) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S228) 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.

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
71% identity, 98% coverage: 5:248/248 of query aligns to 4:243/243 of 4i08A

query
sites
4i08A

L

M

D

N

L

L

T

E

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

K

K

A

A

I

I

A

A

L

E

T

L

L

L

A

A

E

E

A

R

G

G

A

A

T

K

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

K

S

G

G

A

A

A

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

D

D

K

N

G

G

F

K

G

G

L

M

V

A

L
|
L

N
|
N

V
|
V

T

T

S

N

S

P

E

E

S

S

V

I

A

E

E

A

M

V

Y

L

T

K

A

A

I

I

K

T

E

D

K

E

A

F

G

G

D

G

V

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

N

N

L

L

M

M

R

R

M

M

K

K

D

E

E

E

W

W

E

S

E

D

I

I

I

M

D

E

T
|
T

N
|
N

L

L

T

T

S

S

L

I

Y

F

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

K

K

R

R

H

Q

G

G

R

R

I

I

S

N

I
x
V

G
|
G

S
|
S

V

V

G

G

T

T

M

M

G

G

N

N

A

A

G

G

Q
|
Q

V

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

L

V

I

I

G

G

F

F

T

T

K

K

S

S

L

M

A

A

R

R

E

E

V

V

A

A

S

S

R

R

Q

G

I

V

T

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

Q

E

T
|
T

D

D

M

M

T

N

D

D

E

-

L

-

T

-

P

-

E

E

Q

Q

Q

R

Q

T

G

A

I

T

M

L

S

A

Q

Q

V

V

P

P

M

A

E

G

R

R

L

L

G

G

Q

D

A

P

Q

R

E

E

I

I

A

A

N

S

A

A

V

V

L

A

F

F

L

L

A

A

S

S

D

P

A

E

A

A

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

V

I

active site: G19 (= G20), N113 (= N114), S141 (= S142), Q151 (= Q152), Y154 (= Y155), K158 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (= S18), R18 (= R19), G19 (= G20), I20 (= I21), A39 (= A40), T40 (= T41), L61 (= L62), N62 (= N63), V63 (= V64), N89 (= N90), A90 (= A91), G91 (= G92), I92 (= I93), T112 (= T113), V139 (≠ I140), G140 (= G141), S141 (= S142), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), F186 (= F187), I187 (= I188), T189 (= T190)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
70% identity, 98% coverage: 7:248/248 of query aligns to 2:243/243 of 7emgB

query
sites
7emgB

L

F

T

E

G

G

K

K

V

I

A

V

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

T

T

L

F

A

V

E

A

A

R

G

G

A

A

T

K

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

K

S

G

G

A

A

A

E

A

A

I

I

S

S

D

G

Y

Y

L

L

G

G

D

A

K

N

G

G

F

K

G

G

L

F

V

M

L
|
L

N
|
N

V
|
V

T
x
K

S

D

S

A

E

Q

S

S

V

I

A

D

E

S

M

V

Y

L

T

A

A

S

I

I

K

R

E

A

K

E

A

F

G

G

D

E

V

I

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

N

N

L

L

M

M

R

R

M

M

K

K

D

D

E

D

E

E

W

W

E

E

E

D

I

I

I

L

D

D

T
|
T

N

N

L

L

T

T

S

S

L

V

Y

F

R

R

L

L

S

S

K

K

P

A

V

V

M

M

R

C

S

A

M

M

K

K

R

R

H

F

G

G

R

R

I

I

S

T

I

I

G

G

S

S

V

V

G

G

T

T

M

M

G

G

N

N

A

A

G

G

Q

Q

V

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

L

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

A

S

S

R

R

Q

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

F

Y

I

I

Q

E

T

T

D

D

M
|
M

T

T

D

R

E

A

L

L

T

T

P

D

E

D

Q

Q

Q

R

Q

A

G

G

I

I

M

L

S

S

Q

S

V

V

P

P

M

A

E

N

R

R

L

P

G

G

Q

D

A

A

Q

K

E

E

I

I

A

A

N

S

A

A

V

V

L

A

F

F

L

L

A

A

S

S

D

D

A

E

A

A

A

G

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

V

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G16), S13 (= S18), R14 (= R19), A35 (= A40), T36 (= T41), L57 (= L62), N58 (= N63), V59 (= V64), K60 (≠ T65), A86 (= A91), G87 (= G92), I88 (= I93), T108 (= T113), M187 (= M192)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
65% identity, 98% coverage: 4:247/248 of query aligns to 7:253/254 of 4ag3A

query
sites
4ag3A

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L
|
L

N
x
D

V
|
V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

N

N

L

L

M

V

R

R

M

M

K

K

D

D

E

D

E

E

W

W

E

F

E

D

I

V

D

N

T
|
T

N

N

L

L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I
|
I

G
|
G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

L

L

I

E

G

G

F

F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

Q

D

T
|
T

D
|
D

M
|
M

T
|
T

D

R

E

E

L

L

T

P

P

E

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G23 (= G20), S148 (= S142), Y161 (= Y155), K165 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G16), S21 (= S18), R22 (= R19), G23 (= G20), I24 (= I21), A43 (= A40), T44 (= T41), L68 (= L62), D69 (≠ N63), V70 (= V64), N96 (= N90), A97 (= A91), G98 (= G92), I99 (= I93), T119 (= T113), I146 (= I140), G147 (= G141), S148 (= S142), Y161 (= Y155), K165 (= K159), P191 (= P185), G192 (= G186), F193 (= F187), I194 (= I188), T196 (= T190), D197 (= D191), M198 (= M192), T199 (= T193)

4bo4C Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(2-methoxyphenyl)-3,4- dihydro-2h-quinoline-1-carboxamide at 2.7a resolution (see paper)
64% identity, 98% coverage: 4:247/248 of query aligns to 13:254/255 of 4bo4C

query
sites
4bo4C

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L

L

N

D

V

V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

N

N

L

L

M

V

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

E
x
F

E

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I

I

G

G

S
|
S

V

V

G

G

T

-

M

-

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A
|
A

G
|
G

L

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

Q

D

T

T

D

D

M

M

T

T

D

R

E

E

L

-

T

-

P

-

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G29 (= G20), S154 (= S142), Y165 (= Y155), K169 (= K159)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: W119 (= W107), F120 (≠ E108), V123 (≠ I111), N124 (≠ D112), L127 (= L115), A170 (= A160), G171 (= G161), G174 (= G164), F175 (= F165)

3tzcA Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg)(y155f) from vibrio cholerae (see paper)
65% identity, 98% coverage: 5:246/248 of query aligns to 4:224/224 of 3tzcA

query
sites
3tzcA

L

M

D

N

L

L

T

E

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I

I

G

G

K

K

A

A

I

I

A

A

L

E

T

L

L

L

A

A

E

E

A

R

G

G

A

A

T

K

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

K

S

G

G

A

A

A

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

D

D

K

N

G

G

F

K

G

G

L

M

V

A

L
|
L

N
|
N

V
|
V

T

T

S

N

S

P

E

E

S

S

V

I

A

E

E

A

M

V

Y

L

T

K

A

A

I

I

K

T

E

D

K

E

A

F

G

G

D

G

V

V

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T
|
T

R

R

D

-

N

-

L

-

M

M

R

R

M

M

K

K

D

E

E

E

W

W

E

S

E

D

I

I

I

M

D

E

T
|
T

N

N

L

L

T

T

S

S

L

I

Y

F

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

K

K

R

R

H

Q

G

G

R

R

I

I

S

N

I

V

G

G

S

S

V

V

G

-

T

-

M

-

G

-

N

-

A

-

G

-

Q

-

V

-

N

-

Y

-

S

-

A

A

K

K

A

A

G

G

L

V

I

I

G

G

F

F

T

T

K

K

S

S

L

M

A

A

R

R

E

E

V

V

A

A

S

S

R

R

Q

G

I

V

T

T

V

V

N

N

A

T

I

V

A

A

P

P

G

G

F

F

I

I

Q

E

T

T

D

D

M

M

T

D

D

-

E

-

L

-

T

-

P

-

E

E

Q

Q

Q

R

Q

T

G

A

I

T

M

L

S

A

Q

Q

V

V

P

P

M

A

E

G

R

R

L

L

G

G

Q

D

A

P

Q

R

E

E

I

I

A

A

N

S

A

A

V

V

L

A

F

F

L

L

A

A

S

S

D

P

A

E

A

A

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (= S18), R18 (= R19), A39 (= A40), T40 (= T41), L61 (= L62), N62 (= N63), V63 (= V64), A90 (= A91), G91 (= G92), I92 (= I93), T93 (= T94), T108 (= T113)

4bnzA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-methyl-n-phenylindole- 3-carboxamide at 2.5a resolution (see paper)
62% identity, 98% coverage: 4:247/248 of query aligns to 2:240/241 of 4bnzA

query
sites
4bnzA

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L

L

N

D

V

V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

E
x
F

E

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

Q

D

T

T

D

D

M

M

T

T

D

R

E

E

L

L

T

P

P

E

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G20), S135 (= S142), Y148 (= Y155), K152 (= K159)
binding 1-methyl-N-phenyl-indole-3-carboxamide: W100 (= W107), F101 (≠ E108), V104 (≠ I111), N105 (≠ D112), L108 (= L115), A150 (= A157), G154 (= G161), G157 (= G164), F158 (= F165)

4bnyA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d)pyrimidin-4-yl)morpholine at 1.8a resolution (see paper)
62% identity, 98% coverage: 4:247/248 of query aligns to 1:238/239 of 4bnyA

query
sites
4bnyA

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L

L

N

D

V

V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

E

F

E

D

I

V

I
x
V

D

N

T

T

N

N

L
|
L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

Q

D

T

T

D

D

M

M

T

T

D

R

E

E

L

L

T

P

P

E

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G17 (= G20), S133 (= S142), Y146 (= Y155), K150 (= K159)
binding 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine: W98 (= W107), V102 (≠ I111), L106 (= L115), A148 (= A157), G152 (= G161), G155 (= G164), F156 (= F165)

4bnxA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 6-(4-(2-chloroanilino)- 1h-quinazolin-2-ylidene)cyclohexa-2, 4-dien-1-one at 2.3a resolution (see paper)
62% identity, 98% coverage: 4:247/248 of query aligns to 2:239/239 of 4bnxA

query
sites
4bnxA

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L

L

N

D

V

V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W

W

E

F

E

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

Q

D

T

T

D

D

M

M

T

T

D

R

E

E

L

L

T

P

P

E

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G20), S134 (= S142), Y147 (= Y155), K151 (= K159)
binding 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one: V103 (≠ I111), N104 (≠ D112), L107 (= L115), A149 (= A157), A152 (= A160), G153 (= G161), G156 (= G164), F157 (= F165)

4bnuA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0a resolution (see paper)
62% identity, 98% coverage: 4:247/248 of query aligns to 2:238/239 of 4bnuA

query
sites
4bnuA

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L

L

N

D

V

V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

-

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

E

F

E

D

I

V

I
x
V

D

N

T

T

N

N

L
|
L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

Q

D

T

T

D

D

M

M

T

T

D

R

E

E

L

L

T

P

P

E

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G20), S133 (= S142), Y146 (= Y155), K150 (= K159)
binding 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline: W98 (= W107), V102 (≠ I111), L106 (= L115), A148 (= A157), G152 (= G161), G155 (= G164), F156 (= F165)

4bntA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1h- benzimidazole at 2.3a resolution (see paper)
62% identity, 98% coverage: 4:247/248 of query aligns to 3:239/240 of 4bntA

query
sites
4bntA

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L

L

N

D

V

V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

-

M

M

K

K

D

D

E

D

E

E

W

W

E

F

E

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G

G

F

F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

Q

D

T

T

D

D

M

M

T

T

D

R

E

E

L

L

T

P

P

E

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G19 (= G20), S134 (= S142), Y147 (= Y155), K151 (= K159)
binding 2-(trifluoromethyl)-1H-benzimidazole: V103 (≠ I111), N104 (≠ D112), L107 (= L115), G153 (= G161)

4bo7A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(2,3-dihydro-1h-inden-5-yl)tetrazolo(1,5-b) pyridazin-6-amine at 2.6a resolution (see paper)
61% identity, 98% coverage: 4:247/248 of query aligns to 2:237/238 of 4bo7A

query
sites
4bo7A

S

S

L

M

D

S

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

T

E

L

L

A

G

E

R

A

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

K

S

G

G

A

A

A

E

A

K

I

I

S

A

D

E

Y

T

L

L

-

K

-

A

-

N

G

G

D

V

K

E

G

G

F

A

G

G

L

L

V

V

L

L

N

D

V

V

T

S

S

S

S

D

E

E

S

S

V

V

A

A

E

A

M

T

Y

L

T

E

A

H

I

I

K

Q

E

Q

K

H

A

L

G

G

D

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

-

M

-

K

K

D

D

E

D

E

E

W
|
W

E
x
F

E

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

T

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

P

A

V

V

M

L

R

R

S

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

S

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

G

S

S

R

R

Q

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

Q

D

T

T

D

D

M

M

T

T

D

R

E

E

L

L

T

P

P

E

E

A

Q

Q

Q

R

Q

E

G

A

I

L

M

L

S

G

Q

Q

V

I

P

P

M

L

E

G

R

R

L

L

G

G

Q

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

L

G

F

F

L

L

A

A

S

S

D

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G20), S132 (= S142), Y145 (= Y155), K149 (= K159)
binding N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine: W97 (= W107), F98 (≠ E108), V101 (≠ I111), N102 (≠ D112), L105 (= L115), G151 (= G161), G154 (= G164), F155 (= F165)

4bo0A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl) urea at 2.4a resolution (see paper)
61% identity, 98% coverage: 4:247/248 of query aligns to 1:234/235 of 4bo0A

query
sites
4bo0A

S

S

L

M

D

S

L

L

T

Q

G

G

K
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