MolNFT v1 · #184360 · protein
PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)
7ONT: “PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)”. X-ray diffraction, 2 ligands (VKQ, SO4). MolNFT v1 #184360 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7ONT
- Type
- protein
- Length
- 700 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P09874
- Ligands
- VKQ, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 350 | — | P09874 |
Ligands and binding sites
- VKQ · 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl) methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7ONT · PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P09874
- Elsewhere: RCSB PDB 7ONT · PDBe 7ONT · UniProt P09874
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