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Human ppar alpha ligand binding domain in complex with APHM6 obtained by soaking

Analyse Human ppar alpha ligand binding domain in complex with APHM6 obtained by soaking in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7E5I
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: HW3
Pockets: 3 · 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	265	69% helix, 5% strand	Q07869

Ligands and binding sites

HW3 · (2S)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy) phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid · ligand · chains A

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	471	0.84	0.91	51	HW3
2	51	0.31	0.76	12	empty
3	71	0.31	0.74	15	empty

Compared structures

7E5I · Human ppar alpha ligand binding domain in complex with APHM6 obtained by soaking · 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 Q07869
Elsewhere: RCSB PDB 7E5I · PDBe 7E5I · UniProt Q07869

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