Structure of PDB 7ckp Chain A Binding Site BS01

Receptor Information

>7ckp Chain A (length=415) Species: 83332 (Mycobacterium tuberculosis H37Rv)

MPIIEQVRAREILDSRGNPTVEVEVALIDGTFARAAVPSGATGEHEAVEL
RDGGDRYGGKGVQKAVQAVLDEIGPAVIGLNADDQRLVDQALVDLDGTPD
KSRLGGNAILGVSLAVAKAAADSAELPLFRYVGGPNAHILPVPMMNILNG
GAHDTAVDIQEFMVAPIGAPSFVEALRWGAEVYHALKSVLKKEGLTGLGD
EGGFADVAGTTAALDLISRAIESAGLRPGADVALALDAAATEFFGTGYVF
TRTADQMTEFYAGLLGAYPLVSIEDPLSEDDWDGWAALTASIGDRVQIVG
DDIFVTNPERLEEGIERGVANALLVKVNQIGTLTETLDAVTLAHHGGYRT
MISHRSGETEDTMIADLAVAIGSGQIKTGAPARSERVAKYNQLLRIEEAL
GDAARYAGDLAFPRF

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7ckp Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ckp Mycobacterium tuberculosis Enolase
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): D241 D310
• Binding residue (residue number reindexed from 1): D237 D301
• Annotation score: 1

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

External links

• PDB: RCSB:7ckp, PDBe:7ckp, PDBj:7ckp
• PDBsum: 7ckp
• PubMed: 37860976
• UniProt: P9WNL1|ENO_MYCTU Enolase (Gene Name=eno)