MolNFT v1 · #58351 · protein
Human ppar gamma ligand binding dmain complexed with GW9662 in a covalent bonded form
3B0R · Peroxisome proliferator-activated receptor gamma: “Human ppar gamma ligand binding dmain complexed with GW9662 in a covalent bonded form”. X-ray diffraction, 1 ligand (GW9), 7 pockets (best druggability 0.78). MolNFT v1 #58351 on…
- PDB
- 3B0R
- Type
- protein
- Length
- 507 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- GW9
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 262 | 67% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 245 | 72% helix, 5% strand | P37231 |
Ligands and binding sites
- GW9 · 2-chloro-5-nitro-N-phenylbenzamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.78 | 0.86 | 52 | GW9 |
| 2 | 602 | 0.77 | 0.83 | 55 | GW9 |
| 3 | 152 | 0.63 | 0.86 | 24 | empty |
| 4 | 81 | 0.58 | 0.88 | 21 | empty |
| 5 | 228 | 0.50 | 0.75 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1126 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3B0R · Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form · 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 3B0R · PDBe 3B0R · UniProt P37231
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