› 3srk

X-ray diffraction
2.65Å resolution

A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase

Released:
DOI: 10.2210/pdb3srk/pdb
PDB entry 3srk coloured by chain, front view.
PDB entry 3srk coloured by chain, side view.
PDB entry 3srk coloured by chain, top view.
Source organism: Leishmania mexicana
Entry authors: Morgan HP, Walsh M, Blackburn EA, Wear MA, Boxer M, Shen M, McNae IW, Michels PAM, Auld DS, Fothergill-Gilmore LA, Walkinshaw MD

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173276 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pyruvate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 499 amino acids
Theoretical weight: 54.47 KDa
Source organism: Leishmania mexicana
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q27686 (Residues: 1-499; Coverage: 100%)
Gene name: PYK
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand LSA 2 x LSA
Ligand K 4 x K
Ligand PTK 1 x PTK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: I222
Unit cell:
a: 122.42Å b: 130.16Å c: 166.49Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.223 0.266
Expression system: Escherichia coli BL21(DE3)

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