Chlorine in PDB 5vwv: Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic

The structure of Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic, PDB code: 5vwv was solved by J.M.Brouwer, P.M.Colman, P.E.Czabotar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.03 / 1.90
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	139.404, 139.404, 139.404, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 17.7

The structure of Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic (pdb code 5vwv). 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 Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic, PDB code: 5vwv:

Chlorine binding site 1 out of 1 in the Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:39.2 occ:1.00 O B:HOH308 3.1 58.3 1.0 ND1 A:HIS99 3.2 45.7 1.0 NE B:ARG147 3.4 70.2 1.0 NH1 B:ARG147 3.6 81.2 1.0 CG A:MET96 3.8 31.5 1.0 CB A:HIS99 3.8 29.4 1.0 CG A:HIS99 3.9 36.7 1.0 CZ B:ARG147 4.0 73.2 1.0 CA B:PRO144 4.0 33.6 1.0 CA A:MET96 4.0 30.7 1.0 CB B:PRO144 4.0 34.3 1.0 CG B:PRO144 4.1 38.3 1.0 CB A:MET96 4.2 28.2 1.0 CE1 A:HIS99 4.2 42.6 1.0 CB B:ARG147 4.3 32.7 1.0 CG B:ARG147 4.4 39.4 1.0 CD B:ARG147 4.5 61.2 1.0 O A:MET96 4.5 27.7 1.0 N B:PRO144 4.7 32.7 1.0 C A:MET96 4.8 30.6 1.0 O B:MET142 4.8 38.6 1.0 SD A:MET96 4.8 36.9 1.0 CD B:PRO144 4.9 32.7 1.0 N A:MET96 4.9 28.4 1.0 O A:THR95 5.0 32.0 1.0

J.M.Brouwer, P.Lan, A.D.Cowan, J.P.Bernardini, R.W.Birkinshaw, M.F.Van Delft, B.E.Sleebs, A.Y.Robin, A.Wardak, I.K.Tan, B.Reljic, E.F.Lee, W.D.Fairlie, M.J.Call, B.J.Smith, G.Dewson, G.Lessene, P.M.Colman, P.E.Czabotar. Conversion of Bim-BH3 From Activator to Inhibitor of Bak Through Structure-Based Design. Mol. Cell V. 68 659 2017.
ISSN: ISSN 1097-4164
PubMed: 29149594
DOI: 10.1016/J.MOLCEL.2017.11.001