MolNFT v1 · #158963 · protein
Structure of human parg complexed with JA2131
6OA3 · POLY(ADP-ribose) glycohydrolase: “Structure of human parg complexed with JA2131”. X-ray diffraction, 1 ligand (M0M), 5 pockets (best druggability 0.67). MolNFT v1 #158963 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6OA3
- Type
- protein
- Length
- 500 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
- M0M
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POLY(ADP-ribose) glycohydrolase (EC 3.2.1.143) | protein | 500 | 41% helix, 15% strand | Q86W56 |
Ligands and binding sites
- M0M · (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl) ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.67 | 0.80 | 41 | empty |
| 2 | 371 | 0.66 | 0.80 | 57 | M0M |
| 3 | 105 | 0.42 | 0.77 | 14 | empty |
| 4 | 64 | 0.39 | 0.79 | 14 | empty |
| 5 | 62 | 0.33 | 0.76 | 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 6OA3 · PDBe 6OA3 · UniProt Q86W56
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