Structure of PDB 3h78 Chain B Binding Site BS01

Receptor Information
>3h78 Chain B (length=336) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SENLYFQGNPILAGLGFSLPKRQVSNHDLVGRINTSDEFIVERTGVRTRY
HVEPEQAVSALMVPAARQAIEAAGLLPEDIDLLLVNTLSPDHHDPSQACL
IQPLLGLRHIPVLDIRAQASGLLYGLQMARGQILAGLARHVLVVCGEVLS
KRMDCSDRGRNLSILLGDGAGAVVVSAGESLEDGLLDLRLGADGNYFDLL
MTAAPGSASPTFLDENVLREGGGEFLMRGRPMFEHASQTLVRIAGEMLAA
HELTLDDIDHVICHQPNLRILDAVQEQLGIPQHKFAVTVDRLGNMASAST
PVTLAMFWPDIQPGQRVLVLTYGSGATWGAALYRKP
Ligand information
Ligand IDBE2
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyRWZYAGGXGHYGMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ccccc1C(O)=O
ACDLabs 10.04O=C(O)c1ccccc1N
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)N
FormulaC7 H7 N O2
Name2-AMINOBENZOIC ACID
ChEMBLCHEMBL14173
DrugBankDB04166
ZINCZINC000000047985
PDB chain3h78 Chain B Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h78 Structure of PqsD, a Pseudomonas quinolone signal biosynthetic enzyme, in complex with anthranilate.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		A112 L193 F218 N287 A289 S317
Binding residue
(residue number reindexed from 1)		A119 L200 F225 N294 A296 S324
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.24,Kd=57uM
Enzymatic activity
Enzyme Commision number 2.3.1.262: anthraniloyl-CoA anthraniloyltransferase.
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0044550 secondary metabolite biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3h78, PDBe:3h78, PDBj:3h78
PDBsum3h78
PubMed19694421
UniProtP20582|PQSD_PSEAE Anthraniloyl-CoA anthraniloyltransferase (Gene Name=pqsD)

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