MolNFT v1 · #126089 · protein

Ppargamma complex with the betulinic acid

5LSG · Peroxisome proliferator-activated receptor gamma: “Ppargamma complex with the betulinic acid”. X-ray diffraction, 1 ligand (QZQ), 6 pockets (best druggability 0.80). MolNFT v1 #126089 on GenesisL1: 3D structure, binding sites and…

PDB: 5LSG
Type: protein
Length: 516 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxisome proliferator-activated receptor gamma
UniProt: P37231
Ligands: QZQ
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peroxisome proliferator-activated receptor gamma	protein	256	68% helix, 5% strand	P37231
B	Peroxisome proliferator-activated receptor gamma	protein	260	64% helix, 5% strand	P37231

Ligands and binding sites

QZQ · Betulinic 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	528	0.80	0.86	50	QZQ
2	697	0.80	0.84	73	empty
3	306	0.57	0.76	23	empty
4	101	0.53	0.84	20	empty
5	219	0.48	0.75	20	empty

Interfaces

1 interface between chains.

A–B · 1049 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

5LSG · PPARgamma complex with the betulinic acid · 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 5LSG · PDBe 5LSG · UniProt P37231

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