MolNFT v1 · #52162 · protein
Hppargamma ligand binding domain in complex with 9-(S)-hode
2VSR · Peroxisome proliferator-activated receptor gamma: “Hppargamma ligand binding domain in complex with 9-(S)-hode”. X-ray diffraction, 1 ligand (9HO), 7 pockets (best druggability 0.83). MolNFT v1 #52162 on GenesisL1: 3D structure…
- PDB
- 2VSR
- Type
- protein
- Length
- 512 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- 9HO
- Pockets
- 7 · best druggability 0.83
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 | 257 | 68% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 255 | 68% helix, 5% strand | P37231 |
Ligands and binding sites
- 9HO · (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid · ligand · 3 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 | 596 | 0.83 | 0.88 | 58 | 9HO |
| 2 | 580 | 0.77 | 0.83 | 58 | 9HO |
| 3 | 495 | 0.64 | 0.77 | 46 | empty |
| 4 | 121 | 0.56 | 0.84 | 22 | empty |
| 5 | 129 | 0.55 | 0.83 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 911 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2VSR · hPPARgamma Ligand binding domain in complex with 9-(S)-HODE · 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 2VSR · PDBe 2VSR · UniProt P37231
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