Chlorine in PDB 7ruz: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8445

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8445, PDB code: 7ruz was solved by D.A.Kuntz, G.G.Prive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.27 / 1.62
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	30.593, 72.55, 55.409, 90, 107.18, 90
R / Rfree (%)	19.5 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8445 (pdb code 7ruz). 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 the BCL6 Btb Domain in Complex with Oicr-8445, PDB code: 7ruz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8445


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 the BCL6 Btb Domain in Complex with Oicr-8445 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.0 occ:0.55 CL28 A:7S5201 0.0 27.0 0.6 CL28 A:7S5201 0.0 26.8 0.5 C27 A:7S5201 1.7 23.6 0.5 C27 A:7S5201 1.7 23.6 0.6 H211 A:7S5201 2.6 28.1 0.5 H211 A:7S5201 2.6 28.1 0.6 C26 A:7S5201 2.7 23.2 0.5 C26 A:7S5201 2.7 23.2 0.6 C22 A:7S5201 2.7 28.1 0.5 C22 A:7S5201 2.7 28.2 0.6 H261 A:7S5201 2.8 27.8 0.6 H261 A:7S5201 2.8 27.9 0.5 HA A:ALA52 2.9 14.8 1.0 N21 A:7S5201 3.0 23.4 0.5 HD1 A:TYR58 3.0 24.6 1.0 N21 A:7S5201 3.0 23.4 0.6 O A:MET51 3.3 17.0 1.0 HB3 A:MET51 3.3 18.9 1.0 C A:MET51 3.5 14.5 1.0 HE1 A:TYR58 3.6 23.0 1.0 CA A:ALA52 3.6 12.3 1.0 N A:ALA52 3.7 11.3 1.0 CD1 A:TYR58 3.7 20.5 1.0 HE2 A:MET51 3.9 32.3 1.0 N25 A:7S5201 3.9 29.9 0.6 N25 A:7S5201 3.9 29.8 0.5 HB2 A:ALA52 4.0 16.1 1.0 HB2 A:MET51 4.0 18.9 1.0 C23 A:7S5201 4.0 26.4 0.5 C23 A:7S5201 4.0 26.5 0.6 CB A:MET51 4.0 15.7 1.0 CE1 A:TYR58 4.0 19.1 1.0 H A:ALA52 4.2 13.6 1.0 C20 A:7S5201 4.3 22.1 0.5 C20 A:7S5201 4.3 22.0 0.6 CB A:ALA52 4.4 13.4 1.0 CA A:MET51 4.4 12.8 1.0 C24 A:7S5201 4.5 28.5 0.6 C24 A:7S5201 4.5 28.5 0.5 HB2 A:TYR58 4.7 19.9 1.0 HB1 A:ALA52 4.7 16.1 1.0 H231 A:7S5201 4.8 31.8 0.5 C A:ALA52 4.8 12.4 1.0 H191 A:7S5201 4.8 31.6 0.5 H231 A:7S5201 4.8 31.8 0.6 HA A:MET51 4.8 15.4 1.0 H191 A:7S5201 4.8 31.7 0.6 CE A:MET51 4.8 26.9 1.0 CG A:TYR58 4.9 18.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8445


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 the BCL6 Btb Domain in Complex with Oicr-8445 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:26.8 occ:0.45 CL28 A:7S5201 0.0 26.8 0.5 CL28 A:7S5201 0.0 27.0 0.6 C27 A:7S5201 1.7 23.6 0.5 C27 A:7S5201 1.7 23.6 0.6 H211 A:7S5201 2.6 28.1 0.5 H211 A:7S5201 2.6 28.1 0.6 C22 A:7S5201 2.7 28.1 0.5 C26 A:7S5201 2.7 23.2 0.5 C26 A:7S5201 2.7 23.2 0.6 C22 A:7S5201 2.7 28.2 0.6 H261 A:7S5201 2.8 27.8 0.6 HA A:ALA52 2.8 14.8 1.0 H261 A:7S5201 2.8 27.9 0.5 N21 A:7S5201 3.0 23.4 0.5 N21 A:7S5201 3.0 23.4 0.6 HD1 A:TYR58 3.0 24.6 1.0 O A:MET51 3.3 17.0 1.0 HB3 A:MET51 3.3 18.9 1.0 C A:MET51 3.5 14.5 1.0 CA A:ALA52 3.6 12.3 1.0 HE1 A:TYR58 3.6 23.0 1.0 N A:ALA52 3.7 11.3 1.0 CD1 A:TYR58 3.7 20.5 1.0 HE2 A:MET51 3.9 32.3 1.0 HB2 A:ALA52 3.9 16.1 1.0 HB2 A:MET51 4.0 18.9 1.0 N25 A:7S5201 4.0 29.9 0.6 N25 A:7S5201 4.0 29.8 0.5 CB A:MET51 4.0 15.7 1.0 C23 A:7S5201 4.0 26.4 0.5 C23 A:7S5201 4.0 26.5 0.6 CE1 A:TYR58 4.1 19.1 1.0 H A:ALA52 4.2 13.6 1.0 CB A:ALA52 4.3 13.4 1.0 C20 A:7S5201 4.3 22.1 0.5 C20 A:7S5201 4.3 22.0 0.6 CA A:MET51 4.4 12.8 1.0 C24 A:7S5201 4.5 28.5 0.6 C24 A:7S5201 4.5 28.5 0.5 HB1 A:ALA52 4.7 16.1 1.0 HB2 A:TYR58 4.7 19.9 1.0 C A:ALA52 4.7 12.4 1.0 H191 A:7S5201 4.7 31.6 0.5 H231 A:7S5201 4.8 31.8 0.5 H231 A:7S5201 4.8 31.8 0.6 HA A:MET51 4.8 15.4 1.0 H191 A:7S5201 4.8 31.7 0.6 CE A:MET51 4.9 26.9 1.0 CG A:TYR58 4.9 18.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8445


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 the BCL6 Btb Domain in Complex with Oicr-8445 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:33.3 occ:1.00 HH11 A:ARG67 2.3 37.9 1.0 HD3 A:ARG67 3.0 32.6 1.0 HD2 A:ARG67 3.1 32.6 1.0 NH1 A:ARG67 3.1 31.6 1.0 HH12 A:ARG67 3.5 37.9 1.0 CD A:ARG67 3.5 27.1 1.0 CZ A:ARG67 4.1 30.5 1.0 NE A:ARG67 4.2 21.0 1.0 O A:HOH358 4.5 44.4 1.0 HG2 A:ARG67 4.6 45.9 1.0 CG A:ARG67 4.6 38.2 1.0

I.Watson, M.Isaac. Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-8445 To Be Published.