MolNFT v1 · #120235 · protein
Human ppargamma ligand binding dmain complexed with S35
5GTO · Peroxisome proliferator-activated receptor gamma: “Human ppargamma ligand binding dmain complexed with S35”. X-ray diffraction, 2 ligands (T35, MYR), 2 pockets (best druggability 0.86). MolNFT v1 #120235 on GenesisL1: 3D structure…
- PDB
- 5GTO
- Type
- protein
- Length
- 278 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
- UniProt
- P37231
- Ligands
- T35, MYR
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 267 | 66% helix, 5% strand | P37231 |
| B | Nuclear receptor coactivator 1 | protein | 11 | 73% helix, 0% strand | — |
Ligands and binding sites
- T35 · 2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid · ligand · chains A
- MYR · Myristic acid · ligand · chains A
- GOL · Glycerol · additive · 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 | 670 | 0.86 | 0.90 | 64 | T35, MYR, GOL |
| 2 | 59 | 0.34 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 653 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5GTO · Human PPARgamma ligand binding dmain complexed with S35 · 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 5GTO · PDBe 5GTO · UniProt P37231
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