Structure of PDB 8iat Chain C Binding Site BS01

Receptor Information

>8iat Chain C (length=501) Species: 171101 (Streptococcus pneumoniae R6)

MNKRVKIVATLGPAVEIRGGKKFGEDGYWGEKLDVEASAKNIAKLIEAGA
NTFRFNFSHGDHQEQGERMATVKLAEKIAGKKVGFLLDTKGPEIRTELFE
GEAKEYSYKTGEKIRVATKQGIKSTREVIALNVAGALDIYDDVEVGRQVL
VDDGKLGLRVVAKDDATREFEVEVENDGIIAKQKGVNIPNTKIPFPALAE
RDNDDIRFGLEQGINFIAISFVRTAKDVNEVRAICEETGNGHVQLFAKIE
NQQGIDNLDEIIEAADGIMIARGDMGIEVPFEMVPVYQKMIIKKVNAAGK
VVITATNMLETMTEKPRATRSEVSDVFNAVIDGTDATMLSGESANGKYPL
ESVTTMATIDKNAQALLNEYGRLDSDSFERNSKTEVMASAVKDATSSMDI
KLVVTLTKTGHTARLISKYRPNADILALTFDELTERGLMLNWGVIPMLTD
APSSTDDMFEIAERKAVEAGLVESGDDIVIVAGVPVGEAVRTNTMRIRTV
R

Ligand information

• Ligand ID: OXL
• InChI: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
• InChIKey: MUBZPKHOEPUJKR-UHFFFAOYSA-L
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-]C(=O)C([O-])=O
  OpenEye OEToolkits 1.5.0: C(=O)(C(=O)[O-])[O-]
• Formula: C2 O4
• Name: OXALATE ION
• PDB chain: 8iat Chain C Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8iat Functional and structural characterization of Streptococcus pneumoniae pyruvate kinase involved in fosfomycin resistance.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): K248 E250 A271 G273 D274 T306
• Binding residue (residue number reindexed from 1): K248 E250 A271 G273 D274 T306
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.7.1.40: pyruvate kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004743 pyruvate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0030955 potassium ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006096 glycolytic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:8iat, PDBe:8iat, PDBj:8iat
• PDBsum: 8iat
• PubMed: 37286036
• UniProt: Q8DQ84