› 8tbt

X-ray diffraction
2.34Å resolution

Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2

Released:
DOI: 10.2210/pdb8tbt/pdb
PDB entry 8tbt coloured by chain, front view.
PDB entry 8tbt coloured by chain, side view.
PDB entry 8tbt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Liu T, Padyana AK, Judd ET, Jin L, Hammoudeh D, Kung C, Dang L
ChemMedChem e202300559 (2023)
PMID: 38109501

Function and Biology Details

Reaction catalysed: 
ATP + pyruvate = ADP + phosphoenolpyruvate
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151770 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pyruvate kinase PKLR Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 544 amino acids
Theoretical weight: 58.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P30613 (Residues: 50-574; Coverage: 92%)
Gene names: PK1, PKL, PKLR
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand FBP 4 x FBP
Ligand PYR 4 x PYR
Ligand MN 4 x MN
Ligand K 4 x K
Ligand I07 2 x I07
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P21
Unit cell:
a: 76.354Å b: 174.038Å c: 87.336Å
α: 90° β: 94.291° γ: 90°
R-values:
R R work R free
0.201 0.198 0.253
Expression system: Escherichia coli

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