X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% dmso solution containing 4-[2-[1-(4-bromophenyl)-5-phenyl-1H- pyrazol-3-YL]PHENOXY] (HA174)

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 59% strand (DSSP).

Ligands and binding sites

• JEC · 4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid · ligand · chains A
• SO3 · Sulfite ion · ion · 2 copies · 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.

Compared structures

• 7EUW · X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution… · the same entry in another collection · chain A against A, TM-score 1.00
• P05413 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, heart (P05413) · 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 P05413
• Elsewhere: RCSB PDB 7EUW · PDBe 7EUW · UniProt P05413