Chlorine in PDB 7lwe: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-7629

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-7629, PDB code: 7lwe 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)	29.85 / 1.17
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	30.606, 72.113, 55.044, 90, 104.88, 90
R / Rfree (%)	11.5 / 13.1

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-7629 (pdb code 7lwe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-7629, PDB code: 7lwe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-7629


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-7629 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.0 occ:1.00 CLAC A:YND201 0.0 12.0 1.0 CAP A:YND201 1.7 10.6 1.0 HNA A:YND201 2.5 12.7 1.0 CAI A:YND201 2.6 12.1 1.0 CAQ A:YND201 2.7 10.7 1.0 HAI A:YND201 2.7 14.5 1.0 HA A:ALA52 2.8 9.9 1.0 NAM A:YND201 3.0 10.5 1.0 HD1 A:TYR58 3.1 13.3 1.0 HB3 A:MET51 3.2 11.0 1.0 O A:MET51 3.2 9.4 1.0 C A:MET51 3.5 8.0 1.0 N A:ALA52 3.6 7.7 1.0 CA A:ALA52 3.6 8.3 1.0 HB2 A:MET51 3.8 11.0 1.0 HE1 A:TYR58 3.8 15.4 1.0 CB A:MET51 3.9 9.1 1.0 CD1 A:TYR58 3.9 11.1 1.0 NAK A:YND201 3.9 13.1 1.0 CAE A:YND201 4.0 13.4 1.0 HB2 A:ALA52 4.0 10.3 1.0 HE2 A:MET51 4.1 22.0 1.0 H A:ALA52 4.1 9.3 1.0 CE1 A:TYR58 4.3 12.8 1.0 C A:YND201 4.3 11.1 1.0 CA A:MET51 4.3 8.4 1.0 CB A:ALA52 4.4 8.6 1.0 CAD A:YND201 4.4 14.7 1.0 HA1 A:YND201 4.6 14.7 1.0 HB2 A:TYR58 4.7 11.7 1.0 HB1 A:ALA52 4.7 10.3 1.0 C A:ALA52 4.7 8.5 1.0 HA A:MET51 4.8 10.1 1.0 HAE A:YND201 4.9 16.1 1.0 CA A:YND201 5.0 12.3 1.0 CE A:MET51 5.0 18.3 1.0 O A:THR48 5.0 8.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-7629


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-7629 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:24.8 occ:1.00 HH11 A:ARG67 2.1 18.7 1.0 HD2 A:ARG67 2.7 19.8 1.0 O A:HOH424 2.8 39.5 1.0 HD3 A:ARG67 2.8 19.8 1.0 NH1 A:ARG67 2.9 15.6 1.0 CD A:ARG67 3.2 16.5 1.0 HH12 A:ARG67 3.3 18.7 1.0 CZ A:ARG67 3.9 13.9 1.0 NE A:ARG67 4.0 13.0 1.0 HG2 A:ARG67 4.2 22.4 1.0 CG A:ARG67 4.4 18.6 1.0 O A:HOH309 4.5 48.2 1.0 HE A:ARG67 4.8 15.6 1.0 HG3 A:ARG67 4.9 22.4 1.0

A.Mamai, M.Isaac. Discovery of OICR12694: A Novel, Potent, Selective and Orally Bioavailable BCL6 Btb Inhibitor To Be Published.