Structure of PDB 1inn Chain A Binding Site BS02

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 ID

MET

InChI

InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey

FFEARJCKVFRZRR-BYPYZUCNSA-N

SMILES

Software	SMILES
CACTVS 3.341	CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CSCCC(C(=O)O)N
CACTVS 3.341	CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CSCC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCSC

Formula

C5 H11 N O2 S

Name

METHIONINE

PDB chain

1inn 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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Structure summary

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PDB	1inn A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	V7 S9
Binding residue (residue number reindexed from 1)	V2 S4
Annotation score	2

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
PDBsum	1inn
PubMed	11435117
UniProt	Q9RRU8\|LUXS_DEIRA S-ribosylhomocysteine lyase (Gene Name=luxS)

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