MolNFT v1 · #157224 · protein
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective ppar-gamma modulator vsp-77
6MS7: “Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective…”. X-ray diffraction, 1 ligand (V77), 2 pockets (best druggability 0.84). MolNFT v1 #157224 on GenesisL1: 3D structure, binding…
- PDB
- 6MS7
- Type
- protein
- Length
- 276 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; PGC1 lxxll motif
- UniProt
- P37231
- Ligands
- V77
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 265 | 68% helix, 5% strand | P37231 |
| B | PGC1 lxxll motif | protein | 11 | 64% helix, 0% strand | — |
Ligands and binding sites
- V77 · {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid · ligand · 2 copies · 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 | 745 | 0.84 | 0.87 | 71 | V77 |
| 2 | 79 | 0.39 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 537 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6MS7 · Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a… · 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 6MS7 · PDBe 6MS7 · UniProt P37231
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