Structure of PDB 4f32 Chain B Binding Site BS01

Receptor Information
>4f32 Chain B (length=423) Species: 269482 (Burkholderia vietnamiensis G4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTLRVVVTGIGIVSPLGCGKELVWQRLIGGGSGLRRLGDDIAGELSAKV
GGTVQDVAEDPEGGFDPERSVPHKELRKMDRFIQMAMVAADEALAEAGWA
PEAEQQRERTATVVASGIGGFPGLAEAVRIGETRGVRRLSPFTIPFFLSN
LAAGQISIKHRFRGPLGCPVTACAASVQAIGDAMRMIRTGEADVVLAGGA
EAAFDKVSLGGFAAARALSTGFSEEPVRASRPFDRDRDGFVMGEGAAMVV
VESLDHALARGARPIAEIIGYGTTADAYHMTAGPDDGSGAMRAMKLALRM
GDVAPEQVDYVNAHATSTPVGDAGEIEALKTVFGVGAGPAISSTKSATGH
LLGAAGAIEAAFSILALRDGVLPGTLNLEHPDPAADGLDLIGPAARHVPV
EIALSNGFGFGGVNASVLFRRYP
Ligand information
Ligand IDN32
InChIInChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/t14-,17-,23-,24+/m0/s1
InChIKeyDWUHGPPFFABTIY-RLWZQHMASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1(C2CC3CCC2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O
CACTVS 3.370C[C]1(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[CH]3C[CH]4CC[C]3(CC4=C)C=CC1=O
ACDLabs 12.01O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)C=CC42CCC(/C(=C)C2)CC34)C
CACTVS 3.370C[C@]1(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[C@@H]3C[C@@H]4CC[C@]3(CC4=C)C=CC1=O
OpenEye OEToolkits 1.7.6C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O
FormulaC24 H27 N O6
Name2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid;
Platencin
ChEMBLCHEMBL1092943
DrugBank
ZINCZINC000029050858
PDB chain4f32 Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4f32 Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		X172 R215 F239 T280 A281 H313 T315 T317 P318 V319 G320 H349 F407 G408 F409
Binding residue
(residue number reindexed from 1)		X173 R216 F240 T281 A282 H314 T316 T318 P319 V320 G321 H350 F408 G409 F410
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C172 H313 E324 K344 H349 F407 F409
Catalytic site (residue number reindexed from 1) C173 H314 E325 K345 H350 F408 F410
Enzyme Commision number 2.3.1.179: beta-ketoacyl-[acyl-carrier-protein] synthase II.
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006633 fatty acid biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4f32, PDBe:4f32, PDBj:4f32
PDBsum4f32
PubMed23382856
UniProtA4JL30

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