MolNFT v1 · #172684 · protein
Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor eb-47
7AAB: “Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor eb-47”. X-ray diffraction, 2 ligands (UHB, SO4). MolNFT v1 #172684 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AAB
- Type
- protein
- Length
- 700 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P09874
- Ligands
- UHB, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 350 | — | P09874 |
Ligands and binding sites
- UHB · 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7AAB · Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47 · 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 7AAB · PDBe 7AAB · UniProt P09874
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