Chlorine in PDB 6qgg: Structure of Human Bcl-2 in Complex with Analogue of Abt-737

The structure of Structure of Human Bcl-2 in Complex with Analogue of Abt-737, PDB code: 6qgg was solved by P.Dokurno, J.Murray, J.Davidson, I.Chen, B.Davis, C.J.Graham, R.Harris, A.M.Jordan, N.Matassova, C.Pedder, S.Ray, S.Roughley, J.Smith, C.Walmsley, Y.Wang, N.Whitehead, D.S.Williamson, P.Casara, T.Le Diguarher, J.Hickman, J.Stark, A.Kotschy, O.Geneste, R.E.Hubbard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.50
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	55.277, 55.277, 58.593, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.3

The binding sites of Chlorine atom in the Structure of Human Bcl-2 in Complex with Analogue of Abt-737 (pdb code 6qgg). 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 Structure of Human Bcl-2 in Complex with Analogue of Abt-737, PDB code: 6qgg:

Chlorine binding site 1 out of 1 in the Structure of Human Bcl-2 in Complex with Analogue of Abt-737


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Bcl-2 in Complex with Analogue of Abt-737 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:12.5 occ:1.00 CL4 A:J1H401 0.0 12.5 1.0 C3 A:J1H401 1.8 10.9 1.0 C5 A:J1H401 2.7 11.1 1.0 C2 A:J1H401 2.8 10.6 1.0 CD2 A:PHE112 3.8 12.8 1.0 CA A:PHE112 4.0 11.1 1.0 C6 A:J1H401 4.0 11.2 1.0 CE2 A:PHE104 4.0 10.3 1.0 CG2 A:VAL156 4.0 11.2 1.0 C1 A:J1H401 4.1 10.3 1.0 CB A:GLU152 4.1 8.4 1.0 N A:PHE153 4.1 8.3 1.0 C A:GLU152 4.2 8.7 1.0 O A:GLU152 4.3 9.4 1.0 CB A:PHE112 4.3 12.3 1.0 OG A:SER105 4.3 7.5 0.5 CA A:PHE153 4.4 8.8 1.0 CG A:PHE112 4.5 12.5 1.0 C7 A:J1H401 4.6 11.3 1.0 CB A:MET115 4.6 14.6 1.0 CG A:MET115 4.6 15.3 1.0 CE2 A:PHE112 4.7 14.7 1.0 N A:PHE112 4.7 11.5 1.0 CA A:GLU152 4.8 8.4 1.0 CZ A:PHE104 4.9 10.9 1.0 CD2 A:PHE104 4.9 10.3 1.0 O A:ALA149 4.9 9.3 1.0 O A:PHE112 4.9 11.1 1.0 CB A:PHE153 4.9 9.0 1.0 O A:ASP111 4.9 12.1 1.0 C A:PHE112 5.0 11.3 1.0 CB A:VAL156 5.0 11.2 1.0

J.B.Murray, J.Davidson, I.Chen, B.Davis, P.Dokurno, C.J.Graham, R.Harris, A.Jordan, N.Matassova, C.Pedder, S.Ray, S.D.Roughley, J.Smith, C.Walmsley, Y.Wang, N.Whitehead, D.S.Williamson, P.Casara, T.Le Diguarher, J.Hickman, J.Stark, A.Kotschy, O.Geneste, R.E.Hubbard. Establishing Drug Discovery and Identification of Hit Series For the Anti-Apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega V. 4 8892 2019.
ISSN: ESSN 2470-1343
PubMed: 31459977
DOI: 10.1021/ACSOMEGA.9B00611