MolNFT v1 · #58435 · protein

Crystal structure of the complex between ppargamma and the full agonist LT175

3B3K · Peroxisome proliferator-activated receptor gamma: “Crystal structure of the complex between ppargamma and the full agonist LT175”. X-ray diffraction, 1 ligand (LRG), 6 pockets (best druggability 0.85). MolNFT v1 #58435 on GenesisL1…

PDB: 3B3K
Type: protein
Length: 540 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxisome proliferator-activated receptor gamma
UniProt: P37231
Ligands: LRG
Pockets: 6 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Peroxisome proliferator-activated receptor gamma	protein	270	63% helix, 5% strand	P37231

Ligands and binding sites

LRG · (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid · ligand · chains A

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	639	0.85	0.89	68	LRG
2	512	0.83	0.89	57	empty
3	371	0.69	0.82	32	empty
4	238	0.64	0.82	21	empty
5	383	0.59	0.76	46	empty

Interfaces

1 interface between chains.

A–B · 994 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3B3K · Crystal structure of the complex between PPARgamma and the full agonist LT175 · 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 P37231
Elsewhere: RCSB PDB 3B3K · PDBe 3B3K · UniProt P37231

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.