Structure of PDB 7e51 Chain D Binding Site BS01

Receptor Information
>7e51 Chain D (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 IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain7e51 Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e51 Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Resolution3.23 Å
Binding residue
(original residue number in PDB)		E163 K335 R364 K386
Binding residue
(residue number reindexed from 1)		E163 K335 R364 K386
Annotation score5
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:7e51, PDBe:7e51, PDBj:7e51
PDBsum7e51
PubMed37860976
UniProtP9WNL1|ENO_MYCTU Enolase (Gene Name=eno)

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