Structure of PDB 4yws Chain A Binding Site BS01

Receptor Information
>4yws Chain A (length=405) Species: 324602 (Chloroflexus aurantiacus J-10-fl) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STLIEAIVAREVLDSRGNPTIEVDVRLESGDVGRAIVPSGSTGAHEALEL
RDGDKSRYNGKGVLKAVQAVNEDIAEALIGFDAADQIALDQELIALDGTP
NKSKLGANAILGVSLAAAKAAAAAFGLPLYRYLGGVYAHVLPVPMMNIMN
GGQHATNFQEFMIMPVGAESFREGLRWGAEIYHMLKKVIHDRGFGGFAPS
LTNDAPLQLIMEAIEKAGYRPGEQIVIALDPATTEIFDGYLKREGRSSAE
MVDYWVDLVNRYPIISLEDGLAEDDWEGWALLRAKLGDRVQLVGDDFLVT
NVQRLQRAIEAKAANSILIKLNQIGSLTETLSAIQLAQRGWTAVVSHRSG
ESEDVTIADLVVATNAGQIKTGAPATDIAKYNQLLRIEEELGSAARYAGR
SAFKV
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 chain4yws Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yws Biochemical and Structural Characterization of Enolase from Chloroflexus aurantiacus: Evidence for a Thermophilic Origin.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		D243 E286 D313
Binding residue
(residue number reindexed from 1)		D230 E268 D295
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H156 E165 D243 E286 D313 K338 H366 K389
Catalytic site (residue number reindexed from 1) H154 E160 D230 E268 D295 K320 H347 K370
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:4yws, PDBe:4yws, PDBj:4yws
PDBsum4yws
PubMed26082925
UniProtA9WCM4|ENO_CHLAA Enolase (Gene Name=eno)

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