MolNFT v1 · #98213 · protein

Structure of a catalytically inactive parg in complex with a poly-ADP- ribose fragment

4L2H · POLY(ADP-ribose) glycohydrolase: “Structure of a catalytically inactive parg in complex with a poly-ADP- ribose fragment”. X-ray diffraction, 1 ligand (AR6), 3 pockets (best druggability 0.68). MolNFT v1 #98213 on GenesisL1: 3D…

PDB: 4L2H
Type: protein
Length: 436 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: I6L8L7
Ligands: AR6
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	POLY(ADP-ribose) glycohydrolase (EC 3.2.1.143)	protein	436	49% helix, 15% strand	I6L8L7

Ligands and binding sites

AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate · ligand · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	201	0.68	0.86	36	AR6
2	89	0.49	0.83	18	empty
3	64	0.33	0.77	15	empty

Compared structures

4L2H · Structure of a catalytically inactive PARG in complex with a poly-ADP-ribose fragment · the same entry in another collection · 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 I6L8L7
Elsewhere: RCSB PDB 4L2H · PDBe 4L2H · UniProt I6L8L7

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