› 6ry4

X-ray diffraction
1.95Å resolution

PARP15 catalytic domain in complex with 4-(3-carbamoylphenoxy)benzamide.

Released:
DOI: 10.2210/pdb6ry4/pdb
PDB entry 6ry4 coloured by chain, front view.
PDB entry 6ry4 coloured by chain, side view.
PDB entry 6ry4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Evaluation of 3- and 4-Phenoxybenzamides as Selective Inhibitors of the Mono-ADP-Ribosyltransferase PARP10.
Korn P, Classen A, Murthy S, Guareschi R, Maksimainen MM, Lippok BE, Galera-Prat A, Sowa ST, Voigt C, Rossetti G, Lehtiö L, Bolm C, Lüscher B
ChemistryOpen 10 939-948 (2021)
PMID: 34145784

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175095 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein mono-ADP-ribosyltransferase PARP15 Chains: A, B
Molecule details ›
Chains: A, B
Length: 197 amino acids
Theoretical weight: 22.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q460N3 (Residues: 482-678; Coverage: 29%)
Gene names: BAL3, PARP15
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain

Ligands and Environments

2 bound ligands:
Ligand KMW 1 x KMW
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 45.48Å b: 68.97Å c: 161.25Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.219
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

1 mention without citation

Evaluation of 3- and 4-Phenoxybenzamides as Selective Inhibitors of the Mono-ADP-Ribosyltransferase PARP10.
Korn et al. (2021)