Crystal structure of BCL-xl bound to compound 8: (R)-3-(benzylthio)-2- (3-(2-((4'-chloro-[1,1'-biphenyl]-2-YL)METHYL)-1,2,3,4- tetrahydroisoquinoline-6-carbonyl)-3-(4-METHYLBENZYL)UREIDO)PROPANOIC acid

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• XOY · (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 3 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 9 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 6UVC · Crystal structure of BCL-XL bound to compound 8… · the same entry in another collection · chain A against A, TM-score 1.00
• Q07817 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 1 (Q07817) · a predicted model of the same protein · chain A against A, TM-score 0.81

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 Q07817
• Elsewhere: RCSB PDB 6UVC · PDBe 6UVC · UniProt Q07817