Chlorine in PDB 3inq: Crystal Structure of Bcl-Xl in Complex with W1191542

The structure of Crystal Structure of Bcl-Xl in Complex with W1191542, PDB code: 3inq was solved by W.D.Fairlie, B.J.Smith, P.M.Colman, P.E.Czabotar, E.F.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.63 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.588, 68.214, 71.401, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 25

The binding sites of Chlorine atom in the Crystal Structure of Bcl-Xl in Complex with W1191542 (pdb code 3inq). 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 Bcl-Xl in Complex with W1191542, PDB code: 3inq:

Chlorine binding site 1 out of 1 in the Crystal Structure of Bcl-Xl in Complex with W1191542


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 W1191542 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl211 b:56.7 occ:1.00 CG2 B:VAL126 3.8 52.8 1.0 CA B:PHE123 4.1 46.9 1.0 OG B:SER122 4.1 60.2 1.0 CZ B:PHE146 4.3 37.7 1.0 N B:PHE123 4.4 49.4 1.0 CB B:VAL126 4.4 46.2 1.0 CB B:PHE123 4.5 40.8 1.0 O B:HOH412 4.5 46.4 1.0 O B:SER122 4.6 54.9 1.0 C B:SER122 4.7 51.8 1.0 CD1 B:PHE123 4.8 34.7 1.0 CE2 B:PHE146 4.8 39.3 1.0 CD1 B:LEU150 4.8 36.5 1.0 CG2 B:ILE114 4.8 56.6 1.0 CD2 B:LEU150 4.9 36.4 1.0 CG1 B:VAL126 4.9 48.1 1.0

E.F.Lee, P.E.Czabotar, H.Yang, B.E.Sleebs, G.Lessene, P.M.Colman, B.J.Smith, W.D.Fairlie. Conformational Changes in Bcl-2 Pro-Survival Proteins Determine Their Capacity to Bind Ligands J. Biol. Chem. V. 284 30508 2009.
ISSN: ESSN 1083-351X
PubMed: 19726685
DOI: 10.1074/JBC.M109.040725