MolNFT v1 · #144824 · protein
Pparg lbd bound to SR11023
6C5T · Peroxisome proliferator-activated receptor gamma: “Pparg lbd bound to SR11023”. X-ray diffraction, 1 ligand (EKP), 2 pockets (best druggability 0.80). MolNFT v1 #144824 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C5T
- Type
- protein
- Length
- 270 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- EKP
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 270 | 64% helix, 4% strand | P37231 |
Ligands and binding sites
- EKP · 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl) ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl) methyl]phenyl}-2-methylpropanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 790 | 0.80 | 0.83 | 59 | EKP |
| 2 | 151 | 0.47 | 0.76 | 22 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 6C5T · PPARg LBD bound to SR11023 · 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 6C5T · PDBe 6C5T · UniProt P37231
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