MolNFT v1 · #158958 · protein
Structure of human parg complexed with JA2-4
6O9X · POLY(ADP-ribose) glycohydrolase: “Structure of human parg complexed with JA2-4”. X-ray diffraction, 1 ligand (M0S), 4 pockets (best druggability 0.66). MolNFT v1 #158958 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6O9X
- Type
- protein
- Length
- 503 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- POLY(ADP-ribose) glycohydrolase
- EC
- 3.2.1.143
- UniProt
- Q86W56
- Ligands
- M0S
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POLY(ADP-ribose) glycohydrolase (EC 3.2.1.143) | protein | 503 | 40% helix, 15% strand | Q86W56 |
Ligands and binding sites
- M0S · 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.66 | 0.79 | 42 | empty |
| 2 | 356 | 0.66 | 0.80 | 48 | M0S |
| 3 | 59 | 0.39 | 0.80 | 12 | empty |
| 4 | 72 | 0.37 | 0.78 | 19 | empty |
Compared structures
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 Q86W56
- Elsewhere: RCSB PDB 6O9X · PDBe 6O9X · UniProt Q86W56
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