6NTU: Crystal Structure of human PARP-1 ART domain bound to inhibitor UKTT-15

PDB ID: 6NTUDownload
MMDB ID: 183832
PDB Deposition Date: 2019/1/30
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 1.8  Å
Source Organism:
Similar Structures:
Biological Unit for 6NTU: monomeric; determined by author and by software (PISA)
Molecular Components in 6NTU
Label Count Molecule
Protein (1 molecule)
1
Poly [adp-ribose] Polymerase 1
(Gene symbol: PARP1)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
alpha-D-glucopyranosealpha-D-glucopyranose
2
1
beta-D-fructofuranosebeta-D-fructofuranose
3
2
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
4
1
PENTAETHYLENE GLYCOLPENTAETHYLENE GLYCOL
5
1
methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylatemethyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
6
2
SULFATE IONSULFATE ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303