› 8xfd

X-ray diffraction
2.1Å resolution

Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348)

Released:
DOI: 10.2210/pdb8xfd/pdb
PDB entry 8xfd coloured by chain, front view.
PDB entry 8xfd coloured by chain, side view.
PDB entry 8xfd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
Han X, Sandalova T, Zhang C, Mardinoglu A, Achour A, Sun R
Crystals (2024)

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: 543 amino acids
Theoretical weight: 58.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P30613 (Residues: 34-574; Coverage: 94%)
  • Best match: P30613-2 (Residues: 1-543)
Gene names: PK1, PKL, PKLR
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand MG 4 x MG
Ligand FBP 4 x FBP
Ligand WV2 2 x WV2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P1
Unit cell:
a: 84.93Å b: 86.962Å c: 91.554Å
α: 76.78° β: 66.88° γ: 80.22°
R-values:
R R work R free
0.233 0.232 0.265
Expression system: Escherichia coli

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