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BioLiP

Structure of PDB 3qn3 Chain C Binding Site BS01

Receptor Information
>3qn3 Chain C (length=415) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMLVIEDVRAYEVLDSRGNPTVKAEVTLSDGSVGAAIVPSGASTGSKEAL
ELRDNDERFGGKGVLKAVANVNETIADEILGLDAFNQTQLDDTLRELDGT
NNYSNLGANATLGVSMATARAAAAALGMPLYRYLGGANASILPVPMCNII
NGGAHANNNVDFQEFMIMPFGFTSFKEALRSVCEIYAILKKELANSGHST
ALGDEGGFAPNLANNTEPIDLLMTCIKKAGYENRVKIALDVASTEFFKDG
KYHMEGKAFSSEALIERYVELCAKYPICSIEDGLAENDFEGWIKLTEKLG
NKIQLVGDDLFVTNEDILREGIIKKMANAVLIKPNQIGTITQTMRTVRLA
QRNNYKCVMSHRSGESEDAFIADFAVALNTGQIKTGALARGERTAKYNRL
LEIEFESDEYLGEKL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3qn3 Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3qn3 Phosphopyruvate hydratase from Campylobacter jejuni.
Resolution2.13 Å
Binding residue
(original residue number in PDB)		D239 E280 D307
Binding residue
(residue number reindexed from 1)		D240 E281 D308
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S42 H154 E163 E204 D239 E280 D307 K332 H360 K383
Catalytic site (residue number reindexed from 1) S43 H155 E164 E205 D240 E281 D308 K333 H361 K384
Enzyme Commision number 4.2.1.11: phosphopyruvate hydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004634 phosphopyruvate hydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qn3, PDBe:3qn3, PDBj:3qn3
PDBsum3qn3
PubMed
UniProtP42448|ENO_CAMJE Enolase (Gene Name=eno)

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