Chlorine in PDB 7zwo: Crystal Structure of Human BCL6 Btb Domain in Complex with Compound 2

The structure of Crystal Structure of Human BCL6 Btb Domain in Complex with Compound 2, PDB code: 7zwo was solved by G.W.Collie, Y.-V.Le Bihan, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.03 / 1.39
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.19, 67.19, 165.735, 90, 90, 120
R / Rfree (%)	16.7 / 18.3

The binding sites of Chlorine atom in the Crystal Structure of Human BCL6 Btb Domain in Complex with Compound 2 (pdb code 7zwo). 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 Crystal Structure of Human BCL6 Btb Domain in Complex with Compound 2, PDB code: 7zwo:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human BCL6 Btb Domain in Complex with Compound 2


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 Human BCL6 Btb Domain in Complex with Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:36.7 occ:0.66 CL A:KCB201 0.0 36.7 0.7 C16 A:KCB201 1.7 22.6 0.7 C15 A:KCB201 2.7 21.2 0.7 C17 A:KCB201 2.7 21.7 0.7 O A:HOH398 3.3 28.4 1.0 O A:CYS53 3.4 19.2 1.0 O A:GLN113 3.6 19.7 1.0 O A:HOH456 3.8 21.5 1.0 CA A:MET114 3.8 17.1 1.0 C14 A:KCB201 4.0 17.6 0.7 C18 A:KCB201 4.0 19.8 0.7 O A:HOH336 4.0 32.2 1.0 C A:CYS53 4.1 17.2 1.0 N A:GLU115 4.4 22.0 1.0 CG A:MET114 4.4 19.7 1.0 CB A:MET114 4.5 18.2 1.0 C A:GLN113 4.5 20.1 1.0 C13 A:KCB201 4.5 18.1 0.7 C A:MET114 4.5 20.2 1.0 N A:MET114 4.6 17.3 1.0 CA A:SER54 4.7 13.9 1.0 N A:SER54 4.7 14.7 1.0 N A:GLY55 4.8 15.9 1.0 O A:HOH418 5.0 39.2 1.0

O.A.Pierrat, M.Liu, G.W.Collie, K.Shetty, M.J.Rodrigues, Y.V.Le Bihan, E.A.Gunnell, P.C.Mcandrew, M.Stubbs, M.G.Rowlands, N.Yahya, E.Shehu, R.Talbot, L.Pickard, B.R.Bellenie, K.J.Cheung, L.Drouin, P.Innocenti, H.Woodward, O.A.Davis, M.G.Lloyd, A.Varela, R.Huckvale, F.Broccatelli, M.Carter, D.Galiwango, A.Hayes, F.I.Raynaud, C.Bryant, S.Whittaker, O.W.Rossanese, S.Hoelder, R.Burke, R.L.M.Van Montfort. Discovering Cell-Active BCL6 Inhibitors: Effectively Combining Biochemical Hts with Multiple Biophysical Techniques, X-Ray Crystallography and Cell-Based Assays. Sci Rep V. 12 18633 2022.
ISSN: ESSN 2045-2322
PubMed: 36329085
DOI: 10.1038/S41598-022-23264-Z