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MolNFT v1 · #173332 · protein

Crystal structure of peroxisome proliferator-activated receptor gamma (PPARG)IN complex with garcinoic acid

7AWD: “Crystal structure of peroxisome proliferator-activated receptor gamma (PPARG)IN complex with garcinoic acid”. X-ray diffraction, 1 ligand (NQD), 1 pocket (best druggability 0.82). MolNFT v1 #173332 on GenesisL1: 3D structure…

PDB
7AWD
Type
protein
Length
272 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxisome proliferator-activated receptor gamma
UniProt
P37231
Ligands
NQD
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeroxisome proliferator-activated receptor gammaprotein27265% helix, 5% strandP37231

Ligands and binding sites

  • NQD · (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid · ligand · 2 copies · chains A
  • GOL · Glycerol · additive · 3 copies · chains A
  • CIT · Citric acid · additive · 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
16610.820.8655NQD

Compared structures

  • 7AWD · Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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