Structure of PDB 1ie0 Chain A Binding Site BS01

Receptor Information
>1ie0 Chain A (length=156) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSVESFELDHNAVVAPYVRHCGVHKVGTDGVVNKFDIRFCQPNKQAMKPD
TIHTLEHLLAFTIRSHAEKYDHFDIIDISPMGCQTGYYLVVSGEPTSAEI
VDLLEDTMKEAVEITEIPAANEKQCGQAKLHDLEGAKRLMRFWLSQDKEE
LLKVFG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1ie0 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ie0 Crystal structure of the quorum-sensing protein LuxS reveals a catalytic metal site.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H54 H58 C126
Binding residue
(residue number reindexed from 1)		H53 H57 C125
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.21: S-ribosylhomocysteine lyase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016829 lyase activity
GO:0043768 S-ribosylhomocysteine lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009372 quorum sensing

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Molecular Function
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Biological Process
External links
PDB RCSB:1ie0, PDBe:1ie0, PDBj:1ie0
PDBsum1ie0
PubMed11553770
UniProtO34667|LUXS_BACSU S-ribosylhomocysteine lyase (Gene Name=luxS)

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