MolNFT v1 · #50320 · protein
Crystal structure of pparalpha ligand binding domain with bms-631707
2REW · Peroxisome proliferator-activated receptor alpha: “Crystal structure of pparalpha ligand binding domain with bms-631707”. X-ray diffraction, 2 ligands (CPQ, REW), 2 pockets (best druggability 0.84). MolNFT v1 #50320 on GenesisL1: 3D…
- PDB
- 2REW
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor alpha
- UniProt
- Q07869
- Ligands
- CPQ, REW
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor alpha | protein | 255 | 69% helix, 5% strand | Q07869 |
Ligands and binding sites
- CPQ · N,N-bis(3-D-gluconamidopropyl)deoxycholamide · ligand · chains A
- REW · (2S,3S)-1-(4-methoxyphenyl)-3-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-4-oxoazetidine-2-carboxylic acid · ligand · 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 | 575 | 0.84 | 0.88 | 57 | REW |
| 2 | 63 | 0.30 | 0.74 | 11 | empty |
Compared structures
- 2REW · Crystal Structure of PPARalpha ligand binding domain with BMS-631707 · 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
- Elsewhere: RCSB PDB 2REW · PDBe 2REW · UniProt Q07869
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