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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 272 | 65% helix, 5% strand | P37231 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 661 | 0.82 | 0.86 | 55 | NQD |
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
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 7AWD · PDBe 7AWD · UniProt P37231
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