Structure of PDB 1inn Chain B Binding Site BS02

Receptor Information
>1inn Chain B (length=150) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VESFDLDHTKVKAPYVRLAGVKTTPKGDQISKYDLRFLQPNQGAIDPAAI
HTLEHLLAGYMRDHLEGVVDVSPMGCRTGMYMAVIGEPDEQGVMKAFEAA
LKDTAGHDQPIPGVSELECGNYRDHDLAAARQHARDVLDQGLKVQETILL
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain1inn Chain B Residue 501 [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)		E60 A64 R68 D76 V77
Binding residue
(residue number reindexed from 1)		E54 A58 R62 D70 V71
Annotation score2
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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