Chlorine in PDB 7rv4: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153, PDB code: 7rv4 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)	30.05 / 1.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	30.702, 72.781, 55.514, 90, 106.38, 90
R / Rfree (%)	11.9 / 14.7

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153 (pdb code 7rv4). 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-9153, PDB code: 7rv4:
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-9153


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-9153 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:15.2 occ:1.00 CL33 A:7SO201 0.0 15.2 1.0 C32 A:7SO201 1.7 14.8 1.0 C34 A:7SO201 2.6 17.1 1.0 C31 A:7SO201 2.7 15.3 1.0 HA A:ALA52 2.9 11.4 1.0 HD1 A:TYR58 3.0 16.6 1.0 N30 A:7SO201 3.0 14.3 1.0 HB3 A:MET51 3.2 13.0 1.0 O A:MET51 3.2 11.0 1.0 C A:MET51 3.5 9.5 1.0 N A:ALA52 3.6 9.5 1.0 CA A:ALA52 3.7 9.5 1.0 HE1 A:TYR58 3.7 18.6 1.0 CD1 A:TYR58 3.8 13.8 1.0 HB2 A:MET51 3.8 13.0 1.0 CB A:MET51 3.9 10.8 1.0 N35 A:7SO201 3.9 17.9 1.0 C37 A:7SO201 4.0 18.1 1.0 HB2 A:ALA52 4.1 11.9 1.0 HE2 A:MET51 4.1 23.5 1.0 H A:ALA52 4.1 11.4 1.0 CE1 A:TYR58 4.1 15.5 1.0 CA A:MET51 4.3 9.5 1.0 C29 A:7SO201 4.4 15.3 1.0 C36 A:7SO201 4.4 19.2 1.0 CB A:ALA52 4.4 9.9 1.0 HB2 A:TYR58 4.6 13.4 1.0 C A:ALA52 4.8 10.1 1.0 HB1 A:ALA52 4.8 11.9 1.0 HA A:MET51 4.8 11.4 1.0 CG A:TYR58 4.9 12.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153


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-9153 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:37.3 occ:0.76 HD21 A:ASN23 2.1 18.9 1.0 O A:HOH414 2.8 41.2 1.0 ND2 A:ASN23 2.9 15.8 1.0 HH22 A:ARG26 3.2 17.0 1.0 HG21 A:THR92 3.3 16.2 1.0 HH21 A:ARG26 3.3 17.0 1.0 HD22 A:ASN23 3.4 18.9 1.0 OD1 A:ASP88 3.5 27.4 1.0 HG23 A:THR92 3.5 16.2 1.0 NH2 A:ARG26 3.5 14.2 1.0 CG2 A:THR92 3.7 13.5 1.0 CG A:ASN23 3.8 12.4 1.0 OD1 A:ASN23 3.8 12.4 1.0 HG22 A:THR92 3.8 16.2 1.0 CG A:ASP88 4.0 21.1 1.0 HA A:ASP88 4.1 14.7 1.0 HB3 A:ASP88 4.2 18.1 1.0 O A:HOH304 4.3 20.5 1.0 CB A:ASP88 4.5 15.1 1.0 OD2 A:ASP88 4.6 26.9 1.0 CZ A:ARG26 4.7 13.7 1.0 CA A:ASP88 4.8 12.2 1.0 O A:HOH363 4.8 25.0 1.0 HB2 A:TYR91 4.8 12.4 1.0 HB3 A:TYR91 4.9 12.4 1.0 O A:ASP88 5.0 11.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153


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-9153 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:47.4 occ:0.80 H A:GLY100 2.3 30.3 1.0 O A:HOH405 2.7 57.7 1.0 HB3 A:ARG98 2.8 33.9 1.0 N A:GLY100 3.1 25.2 1.0 HA3 A:GLY100 3.3 30.2 1.0 H A:GLU99 3.3 32.8 1.0 HE A:ARG98 3.6 58.8 1.0 HB2 A:ARG98 3.7 33.9 1.0 CB A:ARG98 3.7 28.2 1.0 N A:GLU99 3.7 27.3 1.0 CA A:GLY100 3.7 25.2 1.0 HH21 A:ARG98 3.7 66.9 1.0 NE A:ARG98 3.7 49.0 1.0 NH2 A:ARG98 3.9 55.7 1.0 CZ A:ARG98 3.9 54.3 1.0 C A:GLU99 4.0 25.6 1.0 O A:HOH351 4.0 54.4 1.0 CB A:GLU99 4.1 30.0 1.0 CA A:GLU99 4.2 27.7 1.0 HA2 A:GLY100 4.2 30.2 1.0 C A:ARG98 4.3 24.7 1.0 HH22 A:ARG98 4.3 66.9 1.0 HD3 A:ARG98 4.3 50.0 1.0 CD A:ARG98 4.5 41.7 1.0 O A:HOH418 4.5 40.2 1.0 CA A:ARG98 4.5 25.9 1.0 NH1 A:ARG98 4.6 61.0 1.0 CG A:ARG98 4.7 32.5 1.0 H A:ASN101 4.7 24.6 1.0 HA A:ARG98 4.8 31.0 1.0 C A:GLY100 4.9 23.3 1.0 HH11 A:ARG98 5.0 73.2 1.0 HH12 A:ARG98 5.0 73.2 1.0

I.Watson, M.Isaac. Structure of the BCL6 Btb Domain To Be Published.