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Structure of human parg complexed with JA2120

Analyse Structure of human parg complexed with JA2120 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6OA1
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: M0P
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

M0P · 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione · 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	347	0.67	0.81	50	M0P
2	421	0.65	0.79	43	empty
3	105	0.42	0.77	14	empty
4	67	0.36	0.78	16	empty
5	53	0.33	0.78	18	empty

Compared structures

6OA1 · Structure of human PARG complexed with JA2120 · 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 6OA1 · PDBe 6OA1 · UniProt Q86W56

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