GL1X · GenesisL1 explorer

MolNFT v1 · #149410 · protein

Ppar gamma complex.

6FZP · Peroxisome proliferator-activated receptor gamma: “Ppar gamma complex.”. X-ray diffraction, 1 ligand (EDK), 1 pocket (best druggability 0.85). MolNFT v1 #149410 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6FZP
Type
protein
Length
267 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxisome proliferator-activated receptor gamma; Peroxisome proliferator-activated…
UniProt
P37231, Q9UBK2
Ligands
EDK
Pockets
1 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeroxisome proliferator-activated receptor gammaprotein25864% helix, 5% strandP37231
CPeroxisome proliferator-activated receptor gamma coactivator 1-alphaprotein967% helix, 0% strandQ9UBK2

Ligands and binding sites

  • EDK · (2~{S})-3-[4-[2-[methyl(pyridin-2-yl) amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl) phenyl]amino]propanoic acid · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14610.850.9253EDK

Interfaces

1 interface between chains.

  • A–C · 516 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6FZP · PPAR gamma complex. · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UBK2 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain C against A, TM-score 0.89

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