› 4py4

X-ray diffraction
2.76Å resolution

Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2

Released:
DOI: 10.2210/pdb4py4/pdb
PDB entry 4py4 coloured by chain, front view.
PDB entry 4py4 coloured by chain, side view.
PDB entry 4py4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Wang P, Li J, Jiang X, Liu Z, Ye N, Xu Y, Yang G, Xu Y, Zhang A
Tetrahedron 70 5666-5673 (2017)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175098 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein mono-ADP-ribosyltransferase PARP14 Chains: A, B
Molecule details ›
Chains: A, B
Length: 189 amino acids
Theoretical weight: 21.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q460N5 (Residues: 1613-1801; Coverage: 11%)
Gene names: BAL2, KIAA1268, PARP14
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain
Structure domains: Phosphoenolpyruvate Carboxykinase; domain 3

Ligands and Environments

1 bound ligand:
Ligand XL2 2 x XL2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 44.58Å b: 66.91Å c: 144.68Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.257
Expression system: Escherichia coli

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