Bromine in PDB 5vww: Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal

The structure of Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal, PDB code: 5vww 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)	39.88 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.790, 87.790, 95.460, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 28.1

The binding sites of Bromine atom in the Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal (pdb code 5vww). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal, PDB code: 5vww:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:0.8 occ:1.00 ND2 A:ASN124 3.8 63.8 1.0 O A:ILE123 4.4 54.3 1.0 N A:ILE123 4.5 57.2 1.0 CA A:GLY122 4.6 62.1 1.0 CB A:ASN124 4.6 58.0 1.0 CG A:ASN124 4.7 61.5 1.0 C A:GLY122 4.7 59.4 1.0 C A:ILE123 4.7 53.6 1.0 O A:SER121 4.8 74.0 1.0 CZ A:ARG127 4.8 58.6 1.0 NH2 A:ARG127 4.9 60.8 1.0 NH1 A:ARG127 4.9 58.8 1.0 OD1 C:ASP157 5.0 68.5 1.0

Bromine binding site 2 out of 2 in the Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Bak Core Latch Dimer in Complex with Bim-Rt - Tetragonal within 5.0Å range: probe atom residue distance (Å) B Occ C:Br201 b:70.0 occ:1.00 NE C:ARG147 3.2 78.9 1.0 CD C:ARG147 3.7 76.5 1.0 CA C:PRO144 4.0 81.5 1.0 CG C:PRO144 4.1 80.8 1.0 CG A:MET96 4.1 57.0 1.0 CZ C:ARG147 4.1 79.9 1.0 CB C:PRO144 4.2 81.6 1.0 CB A:HIS99 4.3 73.4 1.0 NH2 C:ARG147 4.3 78.3 1.0 CA A:MET96 4.3 60.7 1.0 N C:PRO144 4.3 83.2 1.0 ND1 A:HIS99 4.4 74.2 1.0 CG A:HIS99 4.4 74.4 1.0 CB A:MET96 4.5 57.0 1.0 CB C:ARG147 4.6 67.1 1.0 CD C:PRO144 4.6 81.7 1.0 CG C:ARG147 4.8 72.9 1.0 O A:MET96 4.8 65.5 1.0 C C:ARG143 4.9 85.7 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