Structure of PDB 7dlr Chain A Binding Site BS01

Receptor Information
>7dlr 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
GGAHADTAVDIQAFMVAPIGAPSFVEALRWGAEVYHALKSVLKKEGLSTG
LGDEGGFAPDVAGTTAALDLISRAIESAGLRPGADVALALDAAATEFFTD
GTGYVFETTRTADQMTEFYAGLLGAYPLVSIEDPLSEDDWDGWAALTASI
GDRVQIVGDDIFVTNPERLEEGIERGVANALLVKVNQIGTLTETLDAVTL
AHHGGYRTMISHRSGETEDTMIADLAVAIGSGQIKTGAPARSERVAKYNQ
LLRIEEALGDAARYAGDLAFPRF
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 chain7dlr 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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PDB7dlr Mycobacterium tuberculosis enolase mutant - E163A
Resolution2.25 Å
Binding residue
(original residue number in PDB)		K335 H363 R364 S365 K386
Binding residue
(residue number reindexed from 1)		K334 H362 R363 S364 K385
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:7dlr, PDBe:7dlr, PDBj:7dlr
PDBsum7dlr
PubMed37860976
UniProtP9WNL1|ENO_MYCTU Enolase (Gene Name=eno)

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