MolNFT v1 · #179774 · protein
Structure of human parg complexed with parg-119
7KFP · POLY(ADP-ribose) glycohydrolase: “Structure of human parg complexed with parg-119”. X-ray diffraction, 2 ligands (WD7, SO4), 5 pockets (best druggability 0.65). MolNFT v1 #179774 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7KFP
- Type
- protein
- Length
- 497 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
- WD7, SO4
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POLY(ADP-ribose) glycohydrolase (EC 3.2.1.143) | protein | 497 | 41% helix, 14% strand | Q86W56 |
Ligands and binding sites
- WD7 · N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl) ethyl]carbamoyl}methanesulfonamide · ligand · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- GOL · Glycerol · additive · 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 | 273 | 0.65 | 0.82 | 35 | WD7 |
| 2 | 458 | 0.62 | 0.76 | 41 | empty |
| 3 | 76 | 0.35 | 0.75 | 12 | GOL |
| 4 | 52 | 0.35 | 0.79 | 18 | DMS |
| 5 | 65 | 0.33 | 0.77 | 17 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
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 7KFP · PDBe 7KFP · UniProt Q86W56
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