2024-10-12_00000167|ligand|9AQZ

Crystal structure of Bcl-xL in complex with a small molecule inhibitor; X-ray diffraction 1.96Å
Protein #1 167 residues (86% resolved)

MSQSNRELVVDFLSYKLSQKGYSASGGGGGGGMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKKMQVLVSRIAAWMATYLNDHLEPWIQENGGWATFVELYGNNAAAESRKGQERLEHHHHHH

MSQSNRELVVDFLSYKLSQKGYSASGGGGGGGMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKKMQVLVSRIAAWMATYLNDHLEPWIQENGGWATFVELYGNNAAAESRKGQERLEHHHHHH
Non polymer #2 A1AFG

InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)/t23-,24-,25-,38+

Cc1c(cnn1CC23CC4CC(C2)CC(C4)C3)c5ccc(nc5C(=O)O)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8
Non polymer #3 CD

InChI=1S/Cd/q+2

[Cd+2]
Download coordinates
Reference