Structure of PDB 7cll Chain A Binding Site BS02

Receptor Information
>7cll Chain A (length=425) 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
QLLRIEEALGDAARYAGDLAFPRFA
Ligand information
Ligand ID2PG
InChIInChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyGXIURPTVHJPJLF-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OC(C(=O)O)CO
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)OP(=O)(O)O)O
CACTVS 3.341OC[C@@H](O[P](O)(O)=O)C(O)=O
CACTVS 3.341OC[CH](O[P](O)(O)=O)C(O)=O
FormulaC3 H7 O7 P
Name2-PHOSPHOGLYCERIC ACID
ChEMBL
DrugBankDB01709
ZINCZINC000003869232
PDB chain7cll Chain A Residue 503 [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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PDB7cll Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate
Resolution1.99 Å
Binding residue
(original residue number in PDB)		G40 A41 S42 H154 Q162 E163 E204 D310 K335 H363 R364 S365 K386
Binding residue
(residue number reindexed from 1)		G40 A41 S42 H154 Q162 E163 E204 D310 K335 H363 R364 S365 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7cll, PDBe:7cll, PDBj:7cll
PDBsum7cll
PubMed37860976
UniProtP9WNL1|ENO_MYCTU Enolase (Gene Name=eno)

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