MolNFT v1 · #139872 · protein
Novel orally efficacious inhibitors complexed with PARP1
5XSU: “Novel orally efficacious inhibitors complexed with PARP1”. X-ray diffraction, 2 ligands (8E3, SO4). MolNFT v1 #139872 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5XSU
- Type
- protein
- Length
- 1,338 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P09874
- Ligands
- 8E3, SO4
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 346 | — | P09874 |
| B | — | protein | 340 | — | P09874 |
| C | — | protein | 328 | — | P09874 |
| D | — | protein | 324 | — | P09874 |
Ligands and binding sites
- 8E3 · 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 16 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5XSU · novel orally efficacious inhibitors complexed with PARP1 · the same entry in another collection · chain D against D, 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 5XSU · PDBe 5XSU · UniProt P09874
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.