Chlorine in PDB 5x9p: Crystal Structure of the BCL6 Btb Domain in Complex with Compound 5

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Compound 5, PDB code: 5x9p 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 / 1.86
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.550, 66.550, 153.090, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Compound 5 (pdb code 5x9p). 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 5, PDB code: 5x9p:

Chlorine binding site 1 out of 1 in the Crystal Structure of the BCL6 Btb Domain in Complex with Compound 5


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 5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:54.9 occ:1.00 CL1 A:80L801 0.0 54.9 1.0 C12 A:80L801 1.7 59.1 1.0 C5 A:80L801 2.6 61.0 1.0 C10 A:80L801 2.8 61.1 1.0 N19 A:80L801 3.0 60.7 1.0 CD2 A:LEU25 3.6 34.9 1.0 CB A:ASN21 3.8 32.4 1.0 CG A:LEU25 3.8 33.6 1.0 C11 A:80L801 3.9 63.0 1.0 O A:ASN21 4.0 28.5 1.0 C4 A:80L801 4.0 62.0 1.0 CD1 A:LEU25 4.1 33.5 1.0 C A:ASN21 4.4 31.0 1.0 C8 A:80L801 4.4 59.7 1.0 CG A:ASN21 4.4 35.5 1.0 C9 A:80L801 4.5 65.2 1.0 CA A:ASN21 4.5 32.2 1.0 ND2 A:ASN21 4.8 35.9 1.0 O25 A:80L801 5.0 58.7 1.0 N21 A:80L801 5.0 63.0 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