SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF1651 FitnessBrowser__psRCH2:GFF1651 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)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
90% identity, 100% coverage: 1:247/247 of query aligns to 8:254/254 of 4ag3A

query
sites
4ag3A

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D

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active site: G23 (= G16), S148 (= S141), Y161 (= Y154), K165 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G12), S21 (= S14), R22 (= R15), G23 (= G16), I24 (= I17), A43 (= A36), T44 (= T37), L68 (= L61), D69 (= D62), V70 (= V63), N96 (= N89), A97 (= A90), G98 (= G91), I99 (= I92), T119 (= T112), I146 (= I139), G147 (= G140), S148 (= S141), Y161 (= Y154), K165 (= K158), P191 (= P184), G192 (= G185), F193 (= F186), I194 (= I187), T196 (= T189), D197 (= D190), M198 (= M191), T199 (= T192)

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)
87% identity, 100% coverage: 1:247/247 of query aligns to 3:241/241 of 4bnzA

query
sites
4bnzA

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active site: G18 (= G16), S135 (= S141), Y148 (= Y154), K152 (= K158)
binding 1-methyl-N-phenyl-indole-3-carboxamide: W100 (= W106), F101 (≠ H107), V104 (≠ I110), N105 (= N111), L108 (= L114), A150 (= A156), G154 (= G160), G157 (= G163), F158 (= F164)

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)
88% identity, 100% coverage: 1:247/247 of query aligns to 14:255/255 of 4bo4C

query
sites
4bo4C

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active site: G29 (= G16), S154 (= S141), Y165 (= Y154), K169 (= K158)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: W119 (= W106), F120 (≠ H107), V123 (≠ I110), N124 (= N111), L127 (= L114), A170 (= A159), G171 (= G160), G174 (= G163), F175 (= F164)

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)
87% identity, 100% coverage: 1:247/247 of query aligns to 2:239/239 of 4bnyA

query
sites
4bnyA

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L

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x
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active site: G17 (= G16), S133 (= S141), Y146 (= Y154), K150 (= K158)
binding 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine: W98 (= W106), V102 (≠ I110), L106 (= L114), A148 (= A156), G152 (= G160), G155 (= G163), F156 (= F164)

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)
87% identity, 100% coverage: 1:247/247 of query aligns to 3:239/239 of 4bnuA

query
sites
4bnuA

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R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G18 (= G16), S133 (= S141), Y146 (= Y154), K150 (= K158)
binding 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline: W98 (= W106), V102 (≠ I110), L106 (= L114), A148 (= A156), G152 (= G160), G155 (= G163), F156 (= F164)

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)
87% identity, 100% coverage: 1:246/247 of query aligns to 3:239/239 of 4bnxA

query
sites
4bnxA

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

R

M

M

K

K

D

D

E

E

W

W

H

F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G16), S134 (= S141), Y147 (= Y154), K151 (= K158)
binding 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one: V103 (≠ I110), N104 (= N111), L107 (= L114), A149 (= A156), A152 (= A159), G153 (= G160), G156 (= G163), F157 (= F164)

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)
87% identity, 100% coverage: 1:247/247 of query aligns to 4:240/240 of 4bntA

query
sites
4bntA

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

M

K

K

D

D

E

E

W

W

H

F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G
|
G

L

L

E

E

G

G

F

F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G19 (= G16), S134 (= S141), Y147 (= Y154), K151 (= K158)
binding 2-(trifluoromethyl)-1H-benzimidazole: V103 (≠ I110), N104 (= N111), L107 (= L114), G153 (= G160)

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)
86% identity, 100% coverage: 1:247/247 of query aligns to 3:238/238 of 4bo7A

query
sites
4bo7A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

K

D

D

E

E

W
|
W

H
x
F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G18 (= G16), S132 (= S141), Y145 (= Y154), K149 (= K158)
binding N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine: W97 (= W106), F98 (≠ H107), V101 (≠ I110), N102 (= N111), L105 (= L114), G151 (= G160), G154 (= G163), F155 (= F164)

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)
85% identity, 100% coverage: 1:247/247 of query aligns to 2:235/235 of 4bo0A

query
sites
4bo0A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

-

D

-

E

E

W
|
W

H
x
F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G17 (= G16), S129 (= S141), Y142 (= Y154), K146 (= K158)
binding 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea: W94 (= W106), F95 (≠ H107), V98 (≠ I110), N99 (= N111), L102 (= L114), A144 (= A156), A147 (= A159), G148 (= G160), G151 (= G163), F152 (= F164)

4bo8A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl) urea at 2.7a resolution (see paper)
85% identity, 100% coverage: 1:247/247 of query aligns to 3:236/236 of 4bo8A

query
sites
4bo8A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

-

D

-

E

E

W
|
W

H

F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G18 (= G16), S130 (= S141), Y143 (= Y154), K147 (= K158)
binding 1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea: W95 (= W106), V99 (≠ I110), N100 (= N111), L103 (= L114), A145 (= A156), G149 (= G160), G152 (= G163), F153 (= F164)

4bo2A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase fabg) from pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea at 1.9a resolution (see paper)
85% identity, 100% coverage: 1:247/247 of query aligns to 5:238/238 of 4bo2A

query
sites
4bo2A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

-

D

-

E

E

W
|
W

H

F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G20 (= G16), S132 (= S141), Y145 (= Y154), K149 (= K158)
binding 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea: W97 (= W106), V101 (≠ I110), N102 (= N111), L105 (= L114), A147 (= A156), G151 (= G160), G154 (= G163), F155 (= F164)

4bo9A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 5-(2-(furan-2-ylmethoxy)phenyl)-2-phenyltetrazole at 2.9a resolution (see paper)
85% identity, 100% coverage: 1:247/247 of query aligns to 3:235/235 of 4bo9A

query
sites
4bo9A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

-

D

-

E

E

W
|
W

H

F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G18 (= G16), S129 (= S141), Y142 (= Y154), K146 (= K158)
binding 5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole: W94 (= W106), V98 (≠ I110), N99 (= N111), L102 (= L114), A144 (= A156), A147 (= A159), G148 (= G160), G151 (= G163), F152 (= F164)

4bo3A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide at 2.5a resolution (see paper)
85% identity, 100% coverage: 1:247/247 of query aligns to 1:233/233 of 4bo3A

query
sites
4bo3A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

-

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

K

D

D

E

E

W
|
W

H
x
F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

-

M

-

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G16 (= G16), S129 (= S141), Y140 (= Y154), K144 (= K158)
binding 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide: W94 (= W106), F95 (≠ H107), V98 (≠ I110), N99 (= N111), L102 (= L114), A142 (= A156), A145 (= A159), G146 (= G160), G149 (= G163), F150 (= F164)

4bo1A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8- carboxamide at 2.2a resolution (see paper)
85% identity, 100% coverage: 1:247/247 of query aligns to 6:237/237 of 4bo1A

query
sites
4bo1A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

-

D

D

E

E

W
|
W

H
x
F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

-

G

-

N

-

A

-

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G21 (= G16), S135 (= S141), Y144 (= Y154), K148 (= K158)
binding n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide: W100 (= W106), F101 (≠ H107), V104 (≠ I110), N105 (= N111), L108 (= L114), A146 (= A156), A149 (= A159), G150 (= G160), G153 (= G163), F154 (= F164)

4bo6A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8a resolution (see paper)
84% identity, 100% coverage: 1:247/247 of query aligns to 3:233/233 of 4bo6A

query
sites
4bo6A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

-

D

-

E

E

W
|
W

H
x
F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

-

G

-

N

-

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G18 (= G16), S130 (= S141), Y140 (= Y154), K144 (= K158)
binding 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone: W95 (= W106), F96 (≠ H107), V99 (≠ I110), N100 (= N111), L103 (= L114), A142 (= A156), G146 (= G160), G149 (= G163), F150 (= F164)

4bo5A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2- amine at 2.6a resolution (see paper)
84% identity, 100% coverage: 1:247/247 of query aligns to 6:236/236 of 4bo5A

query
sites
4bo5A

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

N

N

L

-

M

-

L

-

R

-

M

-

K

-

D

-

D

D

E

E

W
|
W

H
x
F

D

D

V

V

I
x
V

N

N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

A

M

M

G

G

N

N

A

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

-

M

-

T

-

R

-

E

-

L

-

P

-

E

-

A

-

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

S

S

active site: G21 (= G16), S139 (= S141), Y152 (= Y154), K156 (= K158)
binding N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine: W104 (= W106), F105 (≠ H107), V108 (≠ I110), L112 (= L114), A154 (= A156), A157 (= A159), G158 (= G160), G161 (= G163), F162 (= F164)

4bnvA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(2-chlorophenyl)-3-(1- methylbenzimidazol-2-yl)urea at 2.5a resolution (see paper)
84% identity, 100% coverage: 1:246/247 of query aligns to 2:230/230 of 4bnvA

query
sites
4bnvA

M

M

N

S

L

L

Q

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

Q

Q

A

A

I

I

A

A

L

L

E

E

L

L

G

G

R

R

Q

L

G

G

A

A

I

V

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

A

S

S

G

G

A

A

E

E

R

K

I

I

A

A

E

E

T

T

L

L

K

K

E

A

N

N

G

G

I

V

E

E

G

G

A

A

G

G

L

L

V

V

L

L

D

D

V

V

G

S

N

S

D

D

E

E

S

S

V

V

S

A

T

T

L

L

E

E

H

H

I

I

Q

Q

H

H

L

L

G

G

Q

Q

P

P

A

L

I

I

L

V

V

V

N

N

A

A

G

G

I

I

T

-

R

-

D

-

N

-

L

-

M

-

L

-

R

-

M

-

K

-

D

-

E

E

W

W

H
x
F

D

D

V

V

I
x
V

N
|
N

T

T

N

N

L
|
L

S

N

S

S

L

L

Y

Y

R

R

L

L

S

S

K

K

A

A

V

V

L

L

R

R

G

G

M

M

T

T

K

K

A

A

R

R

W

W

G

G

R

R

I

I

N

N

I

I

G

G

S
|
S

V

V

G

G

A

-

M

-

G

-

N

-

A

-

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

E

E

G
|
G

F
|
F

S

T

R

R

A

A

L

L

A

A

R

R

E

E

V

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

E

E

L

L

P

P

E

E

A

A

Q

Q

R

R

D

E

A

A

L

L

G

G

Q

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

K

K

V

V

A

G

F

F

L

L

A

A

S

S

D

D

G

G

A

A

Y

Y

V

V

T

T

G

G

A

A

T

T

V

V

P

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G17 (= G16), S130 (= S141), Y138 (= Y154), K142 (= K158)
binding 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea: F96 (≠ H107), V99 (≠ I110), N100 (= N111), L103 (= L114), A140 (= A156), G144 (= G160), G147 (= G163), F148 (= F164)

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)
66% identity, 100% coverage: 1:246/247 of query aligns to 1:243/244 of P0A2C9

query
sites
P0A2C9

M

M

N

S

L

F

Q

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

Q

R

A

A

I

I

A

A

L

E

E

T

L

L

G

V

R

A

Q

R

G

G

A

A

I

K

V

V

I

I

G

G

T

T

A

A

T

T

T

S

S

E

S

N

G

G

A

A

E

K

R

N

I

I

A

S

E

D

T

Y

L

L

K

-

E

-

N

-

G

G

I

A

E

N

G

G

A

K

G

G

L

L

V

M

L

L

D

N

V

V

G

T

N

D

D

P

E

A

S

S

V

I

S

E

S

S

T

V

L

L

E

E

H

N

I

I

Q

R

Q

A

H

E

L

F

G

G

Q

E

P

V

A

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

L

L

M

R

R

M

M

K

K

D

D

E

E

W

W

H

N

D

D

V

I

I

I

N

E