Structure of PDB 4nnb Chain A Binding Site BS02

Receptor Information
>4nnb Chain A (length=484) Species: 626418 (Burkholderia glumae BGR1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSLYITAAPIGAVPKFLDPFEATFIPSFLLEGFFDADRCASIAADLKTDG
WEVVPAGGRLLQVGHAQPIAHFPKPWLAALSNKLARRIVLQLTTYGWIVS
EQGDLLWEHERQHHYLPPALIEAIEKESPALLKNMEEAGWIACAAGYWQA
GKARSPYLPITPEAITEETIRSMRAGAAVVHLHTRDLSDRRRIEIPGLGV
VTVGSQRNQIVLDDYDAIVPMVKKREPAAILNLSTSVRGDRHGARSKLRR
AHLKFYDDVGSAPEVASLSPAAVVFQGGGGYDNAPDFLDAQFDHFERVGT
RPEVEVFNHAIVDNATSLYRDRLLRTGKPVLFMLVAGVDQYRRDPITGEV
EDDSLIARVVREEISSLLADESADSHRRAVELAIGQLRPVVERLRASFPV
SKISILLPGPMQNLLVDVALGLGLDGIRVGLEDGLTVNDARVPGGVRKAR
GTWEQVSLVREELLGRGATILTAAQVRDMFGLGI
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain4nnb Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nnb Structural Basis for Bacterial Quorum Sensing-mediated Oxalogenesis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H222 H224 S275 S277 R279 S308 Y322
Binding residue
(residue number reindexed from 1)		H181 H183 S234 S236 R238 S267 Y281
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.3.-
Gene Ontology
Molecular Function
GO:0043720 3-keto-5-aminohexanoate cleavage activity

View graph for
Molecular Function
External links
PDB RCSB:4nnb, PDBe:4nnb, PDBj:4nnb
PDBsum4nnb
PubMed24616091
UniProtC5AJX5

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