Chlorine in PDB 5x9o: Crystal Structure of the BCL6 Btb Domain in Complex with Compound 1A

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Compound 1A, PDB code: 5x9o 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 / 1.58
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.618, 66.618, 151.996, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 21.3

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Compound 1A 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 1A (pdb code 5x9o). 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 1A, PDB code: 5x9o:

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


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 1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:67.1 occ:1.00 CL1 A:80R801 0.0 67.1 1.0 C12 A:80R801 1.7 64.4 1.0 C6 A:80R801 2.6 63.5 1.0 C10 A:80R801 2.7 64.9 1.0 N16 A:80R801 3.0 64.8 1.0 CB A:ASN21 3.5 18.0 1.0 O A:ASN21 3.7 16.6 1.0 CD2 A:LEU25 3.8 20.7 1.0 CG A:LEU25 3.9 20.1 1.0 C11 A:80R801 3.9 63.5 1.0 C3 A:80R801 4.0 64.4 1.0 CG A:ASN21 4.1 19.8 1.0 C A:ASN21 4.1 17.2 1.0 CD1 A:LEU25 4.2 20.1 1.0 CA A:ASN21 4.2 18.0 1.0 C9 A:80R801 4.4 65.3 1.0 C4 A:80R801 4.5 63.9 1.0 ND2 A:ASN21 4.5 20.7 1.0 OD1 A:ASN21 4.7 21.8 1.0

T.Yasui, T.Yamamoto, N.Sakai, K.Asano, T.Takai, Y.Yoshitomi, M.Davis, T.Takagi, K.Sakamoto, S.Sogabe, Y.Kamada, W.Lane, G.Snell, M.Iwata, M.Goto, H.Inooka, J.I.Sakamoto, Y.Nakada, Y.Imaeda. Discovery of A Novel B-Cell Lymphoma 6 (BCL6)-Corepressor Interaction Inhibitor By Utilizing Structure-Based Drug Design Bioorg. Med. Chem. V. 25 4876 2017.
ISSN: ESSN 1464-3391
PubMed: 28760529
DOI: 10.1016/J.BMC.2017.07.037