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X-ray structure of human pparalpha ligand binding domain-intrinsic fatty acid (E. COLI origin) co-crystals obtained by cross-seeding

Analyse X-ray structure of human pparalpha ligand binding domain-intrinsic fatty acid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KAX
Type
protein
Length
265 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxisome proliferator-activated receptor alpha
UniProt
Q07869
Ligands
PLM
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeroxisome proliferator-activated receptor alphaprotein26569% helix, 5% strandQ07869

Ligands and binding sites

  • PLM · Palmitic 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13880.830.9150PLM
2610.300.7410empty

Compared structures

  • 6KAX · 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 0.98

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