Chlorine in PDB 2yxj: Crystal Structure of Bcl-Xl in Complex with Abt-737

The structure of Crystal Structure of Bcl-Xl in Complex with Abt-737, PDB code: 2yxj was solved by P.E.Czabotar, E.F.Lee, B.J.Smith, K.Deshayes, K.Zobel, W.D.Fairlie, P.M.Colman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.94 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.321, 75.370, 87.778, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of Bcl-Xl in Complex with Abt-737 (pdb code 2yxj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Bcl-Xl in Complex with Abt-737, PDB code: 2yxj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Bcl-Xl in Complex with Abt-737


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 Bcl-Xl in Complex with Abt-737 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3001 b:68.5 occ:1.00 CA A:GLY134 3.7 33.7 1.0 N A:GLY134 3.8 34.2 1.0 O A:HOH3080 4.2 37.8 1.0 C A:ASP133 4.3 33.6 1.0 O A:ASP133 4.6 33.0 1.0 O A:ARG132 4.7 33.1 1.0 O A:PHE131 4.8 32.2 1.0 C A:GLY134 4.9 33.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Bcl-Xl in Complex with Abt-737


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Bcl-Xl in Complex with Abt-737 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:36.2 occ:1.00 CL1 A:N3C1001 0.0 36.2 1.0 C1 A:N3C1001 1.8 36.0 1.0 C6 A:N3C1001 2.8 35.2 1.0 C2 A:N3C1001 2.8 36.2 1.0 CD1 A:PHE105 3.4 42.6 1.0 CE1 A:PHE105 3.8 41.7 1.0 N A:PHE146 3.9 34.0 1.0 CE1 A:PHE97 4.0 31.5 1.0 CG A:PHE105 4.0 39.7 1.0 C A:SER145 4.0 34.1 1.0 CA A:PHE146 4.0 33.5 1.0 CB A:SER145 4.1 33.8 1.0 C3 A:N3C1001 4.1 35.9 1.0 C5 A:N3C1001 4.1 34.8 1.0 O A:SER145 4.2 34.6 1.0 CA A:PHE105 4.3 38.5 1.0 CD2 A:LEU108 4.3 40.2 1.0 CB A:PHE105 4.4 39.9 1.0 CB A:ALA149 4.6 38.1 1.0 C4 A:N3C1001 4.6 34.9 1.0 CB A:PHE146 4.6 34.1 1.0 CA A:SER145 4.7 34.2 1.0 CZ A:PHE105 4.7 41.8 1.0 CZ A:PHE97 4.8 31.9 1.0 O A:ALA142 4.8 33.5 1.0 CD2 A:PHE105 4.9 42.3 1.0 CD1 A:PHE97 4.9 32.5 1.0 N A:PHE105 5.0 38.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Bcl-Xl in Complex with Abt-737


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Bcl-Xl in Complex with Abt-737 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2001 b:46.2 occ:1.00 CL1 B:N3C2001 0.0 46.2 1.0 C1 B:N3C2001 1.8 45.5 1.0 C6 B:N3C2001 2.8 45.1 1.0 C2 B:N3C2001 2.8 45.2 1.0 CD1 B:PHE105 3.4 46.2 1.0 CG B:PHE105 3.9 44.2 1.0 CE1 B:PHE105 4.0 45.1 1.0 C5 B:N3C2001 4.1 45.4 1.0 CA B:PHE105 4.1 44.0 1.0 C3 B:N3C2001 4.1 46.2 1.0 CE1 B:PHE97 4.1 40.1 1.0 CB B:PHE105 4.1 44.4 1.0 CA B:PHE146 4.2 39.2 1.0 O B:SER145 4.2 39.8 1.0 N B:PHE146 4.2 38.8 1.0 C B:SER145 4.2 39.4 1.0 CB B:SER145 4.4 39.7 1.0 CD2 B:LEU108 4.5 49.7 1.0 C4 B:N3C2001 4.6 46.6 1.0 CB B:PHE146 4.6 39.6 1.0 CB B:ALA149 4.7 37.1 1.0 N B:PHE105 4.8 43.2 1.0 O B:ALA142 4.8 38.9 1.0 CD2 B:PHE105 4.9 46.5 1.0 CZ B:PHE97 4.9 41.1 1.0 CZ B:PHE105 4.9 46.0 1.0 CA B:SER145 5.0 39.8 1.0 CD1 B:PHE97 5.0 40.6 1.0

E.F.Lee, P.E.Czabotar, B.J.Smith, K.Deshayes, K.Zobel, P.M.Colman, W.D.Fairlie. Crystal Structure of Abt-737 Complexed with Bcl-Xl: Implications For Selectivity of Antagonists of the Bcl-2 Family Cell Death Differ. V. 14 1711 2007.
ISSN: ISSN 1350-9047
PubMed: 17572662
DOI: 10.1038/SJ.CDD.4402178