Structure of PDB 1inn Chain A Binding Site BS01

Receptor Information
>1inn Chain A (length=151) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVESFDLDHTKVKAPYVRLAGVKTTPKGDQISKYDLRFLQPNQGAIDPAA
IHTLEHLLAGYMRDHLEGVVDVSPMGCRTGMYMAVIGEPDEQGVMKAFEA
ALKDTAGHDQPIPGVSELECGNYRDHDLAAARQHARDVLDQGLKVQETIL
L
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 chain1inn Chain A Residue 167 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1inn A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H57 H61 C125
Binding residue
(residue number reindexed from 1)		H52 H56 C120
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:1inn, PDBe:1inn, PDBj:1inn
PDBsum1inn
PubMed11435117
UniProtQ9RRU8|LUXS_DEIRA S-ribosylhomocysteine lyase (Gene Name=luxS)

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