MolNFT v1 · #179928 · protein
Structure of the catalytic domain of PARP1 in complex with niraparib
7KK5: “Structure of the catalytic domain of PARP1 in complex with niraparib”. X-ray diffraction, 2 ligands (3JD, SO4). MolNFT v1 #179928 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KK5
- Type
- protein
- Length
- 1,358 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P09874
- Ligands
- 3JD, SO4
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 339 | — | P09874 |
| B | — | protein | 343 | — | P09874 |
| C | — | protein | 344 | — | P09874 |
| D | — | protein | 332 | — | P09874 |
Ligands and binding sites
- 3JD · 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 19 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7KK5 · Structure of the catalytic domain of PARP1 in complex with niraparib · 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 7KK5 · PDBe 7KK5 · UniProt P09874
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