Structure of PDB 4nnc Chain A Binding Site BS02

Receptor Information
>4nnc Chain A (length=483) Species: 626418 (Burkholderia glumae BGR1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSLYITAAPIGAVPKFLDPFEATFIPSFLLEGFFDADRCASIAADLKTDG
WEVVPAGGRLLQVGHAQPIAAHFPKPWLAALSNKLARRIVLQLTTYGWIV
SEQGDLLWEHERQHHYLPPALIEAIEKESPALLKNMEEAGWIACAAGYWQ
AGKARSPYLPITPEAITEETIRSMRAGAAVVHLHTRDLSDRRRIEIPGLG
VVTVGSQRNQIVLDDYDAIVPMVKKREPAAILNLSTSVRGDRHGARSKLR
RAHLKFYDDVGSAPEVASLSPAAVVFQGGGGYDNAPDFLDAQFDHFERVG
TRPEVEVFNHAIVDNATSLYRDRLLRTGKPVLFMLVAGVDQYRRDPITGE
VEDDSLIARVVREEISSLLADESADSHRRAVELAIGQLRPVVERLRASFP
VSKISILLPGPMQNLLVDVALGLGLDGIRVGLEDGLTVNDARVPGGVRKA
RGTWEQVSLVREELLGRGATILTAAQVRDMFGL
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain4nnc 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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PDB4nnc Structural Basis for Bacterial Quorum Sensing-mediated Oxalogenesis.
Resolution2.279 Å
Binding residue
(original residue number in PDB)		H224 S277 R279 Y322
Binding residue
(residue number reindexed from 1)		H184 S237 R239 Y282
Annotation score1
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:4nnc, PDBe:4nnc, PDBj:4nnc
PDBsum4nnc
PubMed24616091
UniProtC5AJX5

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