Structure of PDB 7clk Chain A Binding Site BS01

Receptor Information
>7clk Chain A (length=423) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPIIEQVRAREILDSRGNPTVEVEVALIDGTFARAAVPSGASTGEHEAVE
LRDGGDRYGGKGVQKAVQAVLDEIGPAVIGLNADDQRLVDQALVDLDGTP
DKSRLGGNAILGVSLAVAKAAADSAELPLFRYVGGPNAHILPVPMMNILN
GGAHADTAVDIQEFMVAPIGAPSFVEALRWGAEVYHALKSVLKKEGLSTG
LGDEGGFAPDVAGTTAALDLISRAIESAGLRPGADVALALDAAATEFFTD
GTGYVFEGTTRTADQMTEFYAGLLGAYPLVSIEDPLSEDDWDGWAALTAS
IGDRVQIVGDDIFVTNPERLEEGIERGVANALLVKVNQIGTLTETLDAVT
LAHHGGYRTMISHRSGETEDTMIADLAVAIGSGQIKTGAPARSERVAKYN
QLLRIEEALGDAARYAGDLAFPR
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 chain7clk Chain A Residue 513 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7clk Mycobacterium tuberculosis enolase in complex with 2-phosphoglycerate
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D241 E283 D310
Binding residue
(residue number reindexed from 1)		D241 E283 D310
Annotation score1
Enzymatic activity
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:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall
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:7clk, PDBe:7clk, PDBj:7clk
PDBsum7clk
PubMed37860976
UniProtP9WNL1|ENO_MYCTU Enolase (Gene Name=eno)

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