MolNFT v1 · #174262 · protein
X-ray structure of human pparalpha ligand binding domain-intrinsic fatty acid (E. COLI origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization
7BQ1 · Peroxisome proliferator-activated receptor alpha: “X-ray structure of human pparalpha ligand binding domain-intrinsic fatty acid (E. COLI origin)-SRC1…”. X-ray diffraction, 1 ligand (PLM), 3 pockets (best druggability 0.84). MolNFT…
- PDB
- 7BQ1
- Type
- protein
- Length
- 271 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor alpha; 15-meric peptide from nuclear receptor…
- EC
- 2.3.1.48
- UniProt
- Q07869, Q15788
- Ligands
- PLM
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor alpha | protein | 261 | 69% helix, 5% strand | Q07869 |
| B | 15-meric peptide from nuclear receptor coactivator 1 (EC 2.3.1.48) | protein | 10 | 60% helix, 0% strand | Q15788 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 432 | 0.84 | 0.91 | 53 | PLM |
| 2 | 60 | 0.32 | 0.76 | 13 | empty |
| 3 | 51 | 0.29 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 561 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7BQ1 · X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli… · the same entry in another collection · chain A against A, TM-score 1.00
- Q07869 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor alpha… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q07869
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 7BQ1 · PDBe 7BQ1 · UniProt Q07869 · UniProt Q15788
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