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› 7qzu

X-ray diffraction
1.96Å resolution

Structure of liver pyruvate kinase in complex with anthraquinone derivative 47

Released:
DOI: 10.2210/pdb7qzu/pdb
Model geometry
Fit model/data
PDB entry 7qzu coloured by chain, front view.
PDB entry 7qzu coloured by chain, side view.
PDB entry 7qzu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Nain-Perez A, Foller Füchtbauer A, Håversen L, Lulla A, Gao C, Matic J, Monjas L, Rodríguez A, Brear P, Kim W, Hyvönen M, Borén J, Mardinoglu A, Uhlen M, Grøtli M
Eur J Med Chem 234 114270 (2022)
PMID: 35290845

Function and Biology Details

Reaction catalysed: 
pyruvate + ATP = phosphoenolpyruvate + ADP + H(+).
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

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, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 447 amino acids
Theoretical weight: 48.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P30613 (Residues: 30-574; Coverage: 78%)
  • Best match: P30613-2 (Residues: 1-543)
Gene names: PK1, PKL, PKLR
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand FBP 8 x FBP
Ligand OXL 8 x OXL
Ligand MG 8 x MG
Ligand K 8 x K
Ligand I4L 6 x I4L
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 207.629Å b: 112.593Å c: 188.797Å
α: 90° β: 91.58° γ: 90°
R-values:
R R work R free
0.203 0.201 0.228
Expression system: Escherichia coli BL21(DE3)

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Citations

2 citation in other articles

Exploration of Novel Urolithin C Derivatives as Non-Competitive Inhibitors of Liver Pyruvate Kinase.
Battisti et al. (2023)
1 more