Chlorine in PDB 5x4q: Crystal Structure of the BCL6 Btb Domain in Complex with Compound 7

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Compound 7, PDB code: 5x4q was solved by S.Sogabe, K.Ida, W.Lane, G.Snell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.874, 66.874, 153.781, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 23

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Compound 7 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Compound 7 (pdb code 5x4q). 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 the BCL6 Btb Domain in Complex with Compound 7, PDB code: 5x4q:

Chlorine binding site 1 out of 1 in the Crystal Structure of the BCL6 Btb Domain in Complex with Compound 7


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 Compound 7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:57.2 occ:1.00 CL1 A:7Z6801 0.0 57.2 1.0 C13 A:7Z6801 1.7 58.3 1.0 C8 A:7Z6801 2.7 58.7 1.0 C14 A:7Z6801 2.7 57.0 1.0 N23 A:7Z6801 3.0 56.3 1.0 CD2 A:LEU25 3.6 45.4 1.0 CG A:LEU25 3.7 44.2 1.0 CB A:ASN21 3.8 37.8 1.0 CD1 A:LEU25 3.9 44.6 1.0 N20 A:7Z6801 4.0 60.2 1.0 N21 A:7Z6801 4.0 58.9 1.0 O A:ASN21 4.0 37.3 1.0 CG A:ASN21 4.4 40.5 1.0 C A:ASN21 4.4 37.7 1.0 C15 A:7Z6801 4.4 62.4 1.0 C12 A:7Z6801 4.4 54.9 1.0 CA A:ASN21 4.6 38.1 1.0 ND2 A:ASN21 4.7 38.5 1.0 OD1 A:ASN21 4.9 43.0 1.0

Y.Kamada, N.Sakai, S.Sogabe, K.Ida, H.Oki, K.Sakamoto, W.Lane, G.Snell, M.Iida, Y.Imaeda, J.Sakamoto, J.Matsui. Discovery of A B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor By A Biophysics-Driven Fragment-Based Approach J. Med. Chem. V. 60 4358 2017.
ISSN: ISSN 1520-4804
PubMed: 28471657
DOI: 10.1021/ACS.JMEDCHEM.7B00313