› 5o2d

X-ray diffraction
1.6Å resolution

PARP14 Macrodomain 2 with inhibitor

Released:
DOI: 10.2210/pdb5o2d/pdb
PDB entry 5o2d coloured by chain, front view.
PDB entry 5o2d coloured by chain, side view.
PDB entry 5o2d coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
Schuller M, Riedel K, Gibbs-Seymour I, Uth K, Sieg C, Gehring AP, Ahel I, Bracher F, Kessler BM, Elkins JM, Knapp S
ACS Chem Biol 12 2866-2874 (2017)
PMID: 28991428

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175097 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein mono-ADP-ribosyltransferase PARP14 Chain: A
Molecule details ›
Chain: A
Length: 200 amino acids
Theoretical weight: 21.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q460N5 (Residues: 994-1191; Coverage: 11%)
Gene names: BAL2, KIAA1268, PARP14
Sequence domains: Macro domain
Structure domains: Leucine Aminopeptidase, subunit E, domain 1

Ligands and Environments

1 bound ligand:
Ligand 9HH 1 x 9HH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: C2
Unit cell:
a: 131.408Å b: 35.74Å c: 37.15Å
α: 90° β: 94.83° γ: 90°
R-values:
R R work R free
0.132 0.13 0.174
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

MARTs and MARylation in the Cytosol: Biological Functions, Mechanisms of Action, and Therapeutic Potential.
Challa et al. (2021)
4 more

7 mentions without citation

Medicinal Chemistry Perspective on Targeting Mono-ADP-Ribosylating PARPs with Small Molecules.
Nizi et al. (2022)
6 more