MolNFT v1 · #121539 · protein

Crystal structure of the complex PPARALPHA/AL26-29

5HYK · Peroxisome proliferator-activated receptor alpha: “Crystal structure of the complex PPARALPHA/AL26-29”. X-ray diffraction, 1 ligand (65W), 1 pocket (best druggability 0.84). MolNFT v1 #121539 on GenesisL1: 3D structure, binding…

PDB: 5HYK
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: 65W
Pockets: 1 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peroxisome proliferator-activated receptor alpha	protein	255	65% helix, 5% strand	Q07869

Ligands and binding sites

65W · 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	385	0.84	0.92	47	65W

Compared structures

5HYK · Crystal structure of the complex PPARalpha/AL26-29 · 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 5HYK · PDBe 5HYK · UniProt Q07869

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