Chlorine in PDB 4man: BCL_2-Navitoclax Analog (with Indole) Complex

The structure of BCL_2-Navitoclax Analog (with Indole) Complex, PDB code: 4man was solved by C.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.37 / 2.07
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	71.375, 71.375, 101.492, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 23.4

The binding sites of Chlorine atom in the BCL_2-Navitoclax Analog (with Indole) Complex (pdb code 4man). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the BCL_2-Navitoclax Analog (with Indole) Complex, PDB code: 4man:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the BCL_2-Navitoclax Analog (with Indole) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BCL_2-Navitoclax Analog (with Indole) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:30.9 occ:1.00 CL6 A:1Y1301 0.0 30.9 1.0 C32 A:1Y1301 1.7 25.9 1.0 C13 A:1Y1301 2.7 25.2 1.0 C12 A:1Y1301 2.7 26.2 1.0 H13 A:1Y1301 2.8 25.8 1.0 H12 A:1Y1301 2.9 26.9 1.0 CD2 A:PHE109 3.4 31.8 1.0 CE2 A:PHE109 3.8 33.4 1.0 C4 A:1Y1301 3.9 25.2 1.0 CE2 A:PHE101 4.0 24.2 1.0 C3 A:1Y1301 4.0 26.6 1.0 N A:PHE150 4.0 19.1 1.0 C A:GLU149 4.1 22.6 1.0 CB A:GLU149 4.1 20.5 1.0 O A:GLU149 4.2 22.5 1.0 CA A:PHE150 4.2 18.4 1.0 CG A:MET112 4.3 35.4 1.0 CG2 A:VAL153 4.4 26.4 1.0 CB A:MET112 4.4 32.9 1.0 CG A:PHE109 4.4 30.3 1.0 CA A:PHE109 4.4 28.1 1.0 C20 A:1Y1301 4.5 26.6 1.0 O A:ALA146 4.7 22.9 1.0 CB A:PHE150 4.7 18.6 1.0 CA A:GLU149 4.7 19.6 1.0 CB A:PHE109 4.7 29.1 1.0 CZ A:PHE101 4.7 21.9 1.0 H4 A:1Y1301 4.8 25.9 1.0 H3 A:1Y1301 4.8 26.6 1.0 CD2 A:PHE101 4.8 23.9 1.0 O A:PHE109 5.0 33.1 1.0 CB A:VAL153 5.0 26.7 1.0

Chlorine binding site 2 out of 2 in the BCL_2-Navitoclax Analog (with Indole) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of BCL_2-Navitoclax Analog (with Indole) Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:31.2 occ:1.00 CL6 B:1Y1301 0.0 31.2 1.0 C32 B:1Y1301 1.7 25.7 1.0 C13 B:1Y1301 2.7 23.8 1.0 C12 B:1Y1301 2.7 24.9 1.0 H13 B:1Y1301 2.8 25.2 1.0 H12 B:1Y1301 2.9 25.2 1.0 CD2 B:PHE109 3.4 31.1 1.0 CE2 B:PHE109 3.8 33.1 1.0 CE2 B:PHE101 4.0 25.9 1.0 C4 B:1Y1301 4.0 23.4 1.0 C3 B:1Y1301 4.0 25.7 1.0 N B:PHE150 4.1 18.4 1.0 C B:GLU149 4.1 21.7 1.0 CB B:GLU149 4.1 19.2 1.0 O B:GLU149 4.2 21.7 1.0 CA B:PHE150 4.2 17.9 1.0 CG B:MET112 4.3 35.8 1.0 CG2 B:VAL153 4.4 26.8 1.0 CB B:MET112 4.4 33.3 1.0 CA B:PHE109 4.4 27.6 1.0 CG B:PHE109 4.4 30.3 1.0 C20 B:1Y1301 4.5 25.7 1.0 O B:ALA146 4.7 22.3 1.0 CB B:PHE109 4.7 28.9 1.0 CB B:PHE150 4.7 18.2 1.0 CZ B:PHE101 4.8 23.0 1.0 CA B:GLU149 4.8 18.2 1.0 H4 B:1Y1301 4.8 23.8 1.0 H3 B:1Y1301 4.8 26.1 1.0 CD2 B:PHE101 4.9 25.9 1.0 O B:PHE109 4.9 31.8 1.0 CB B:VAL153 5.0 26.6 1.0

A.J.Souers, J.D.Leverson, E.R.Boghaert, S.L.Ackler, N.D.Catron, J.Chen, B.D.Dayton, H.Ding, S.H.Enschede, W.J.Fairbrother, D.C.Huang, S.G.Hymowitz, S.Jin, S.L.Khaw, P.J.Kovar, L.T.Lam, J.Lee, H.L.Maecker, K.C.Marsh, K.D.Mason, M.J.Mitten, P.M.Nimmer, A.Oleksijew, C.H.Park, C.M.Park, D.C.Phillips, A.W.Roberts, D.Sampath, J.F.Seymour, M.L.Smith, G.M.Sullivan, S.K.Tahir, C.Tse, M.D.Wendt, Y.Xiao, J.C.Xue, H.Zhang, R.A.Humerickhouse, S.H.Rosenberg, S.W.Elmore. Abt-199, A Potent and Selective Bcl-2 Inhibitor, Achieves Antitumor Activity While Sparing Platelets. Nat.Med. (N.Y.) V. 19 202 2013.
ISSN: ISSN 1078-8956
PubMed: 23291630
DOI: 10.1038/NM.3048