MolNFT v1 · #117047 · protein
Human ppargamma ligand binding dmain in complex with SR1664
5DWL · Peroxisome proliferator-activated receptor gamma: “Human ppargamma ligand binding dmain in complex with SR1664”. X-ray diffraction, 1 ligand (3JX), 1 pocket (best druggability 0.84). MolNFT v1 #117047 on GenesisL1: 3D structure…
- PDB
- 5DWL
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; Nuclear receptor coactivator 1
- EC
- 2.3.1.48
- UniProt
- P37231, Q15788
- Ligands
- 3JX
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 271 | 65% helix, 5% strand | P37231 |
| B | Nuclear receptor coactivator 1 (EC 2.3.1.48) | protein | 10 | 80% helix, 0% strand | Q15788 |
Ligands and binding sites
- 3JX · 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid · ligand · 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 | 425 | 0.84 | 0.91 | 55 | 3JX |
Interfaces
1 interface between chains.
- A–B · 602 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5DWL · Human PPARgamma ligand binding dmain in complex with SR1664 · 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
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 5DWL · PDBe 5DWL · UniProt P37231 · UniProt Q15788
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