MolNFT v1 · #139869 · protein
Novel orally efficacious inhibitors complexed with PARP1
5XSR: “Novel orally efficacious inhibitors complexed with PARP1”. X-ray diffraction, 2 ligands (8EC, SO4). MolNFT v1 #139869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5XSR
- Type
- protein
- Length
- 343 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P09874
- Ligands
- 8EC, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 343 | — | P09874 |
Ligands and binding sites
- 8EC · 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5XSR · novel orally efficacious inhibitors complexed with PARP1 · 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 5XSR · PDBe 5XSR · UniProt P09874
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