Chlorine in PDB 8htr: Crystal Structure of BCL2 in Complex with S-9C

The structure of Crystal Structure of BCL2 in Complex with S-9C, PDB code: 8htr was solved by J.Liu, M.Xu, Y.Feng, Y.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.902, 40.597, 53.808, 90, 103.66, 90
R / Rfree (%)	19.5 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of BCL2 in Complex with S-9C (pdb code 8htr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of BCL2 in Complex with S-9C, PDB code: 8htr:

Chlorine binding site 1 out of 1 in the Crystal Structure of BCL2 in Complex with S-9C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of BCL2 in Complex with S-9C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:31.8 occ:1.00 CL1 A:MWH301 0.0 31.8 1.0 C42 A:MWH301 1.7 25.3 1.0 C41 A:MWH301 2.7 27.3 1.0 C37 A:MWH301 2.7 24.7 1.0 C36 A:MWH301 3.0 27.2 1.0 C35 A:MWH301 3.5 30.6 1.0 CB A:PHE153 3.7 22.4 1.0 CG1 A:VAL133 3.9 29.7 1.0 C40 A:MWH301 4.0 28.3 1.0 C38 A:MWH301 4.0 27.3 1.0 CD2 A:LEU137 4.0 22.5 1.0 CG A:PHE153 4.0 26.3 1.0 CD1 A:LEU137 4.2 22.4 1.0 CB A:LEU137 4.2 24.2 1.0 O A:ALA149 4.3 20.4 1.0 CG A:LEU137 4.4 22.5 1.0 CD1 A:PHE153 4.4 26.0 1.0 N6 A:MWH301 4.4 25.3 1.0 C39 A:MWH301 4.5 28.0 1.0 C29 A:MWH301 4.6 24.9 1.0 CE A:MET115 4.6 33.5 1.0 SD A:MET115 4.6 41.1 1.0 CD2 A:PHE153 4.7 26.0 1.0 C A:ALA149 4.8 17.8 1.0 CB A:ALA149 4.8 19.0 1.0 C34 A:MWH301 4.9 27.0 1.0 O A:VAL133 4.9 24.8 1.0

Y.Guo, H.Xue, N.Hu, Y.Liu, H.Sun, D.Yu, L.Qin, G.Shi, F.Wang, L.Xin, W.Sun, F.Zhang, X.Song, S.Li, Q.Wei, Y.Guo, Y.Li, X.Liu, S.Chen, T.Zhang, Y.Wu, D.Su, Y.Zhu, A.Xu, H.Xu, S.Yang, Z.Zheng, J.Liu, X.Yang, X.Yuan, Y.Hong, X.Sun, Y.Guo, C.Zhou, X.Liu, L.Wang, Z.Wang. Discovery of the Clinical Candidate Sonrotoclax (Bgb-11417), A Highly Potent and Selective Inhibitor For Both Wt and G101V Mutant Bcl-2. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 38695063
DOI: 10.1021/ACS.JMEDCHEM.4C00027