MolNFT v1 · #158961 · protein

Structure of human parg complexed with JA2-9

6OA0 · POLY(ADP-ribose) glycohydrolase: “Structure of human parg complexed with JA2-9”. X-ray diffraction, 1 ligand (M1D), 5 pockets (best druggability 0.66). MolNFT v1 #158961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OA0
Type: protein
Length: 501 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: M1D
Pockets: 5 · best druggability 0.66

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	501	41% helix, 15% strand	Q86W56

Ligands and binding sites

M1D · 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	403	0.66	0.79	42	empty
2	187	0.54	0.79	34	M1D
3	96	0.39	0.76	15	empty
4	92	0.39	0.77	26	empty
5	75	0.38	0.78	17	empty

Compared structures

6OA0 · Structure of human PARG complexed with JA2-9 · the same entry in another collection · chain A against A, TM-score 1.00
Q86W56 · AlphaFold monomer V2.0 prediction for POLY(ADP-ribose) glycohydrolase (Q86W56) · a predicted model of the same protein · 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 Q86W56
Elsewhere: RCSB PDB 6OA0 · PDBe 6OA0 · UniProt Q86W56

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