Chlorine in PDB 5mw6: Crystal Structure of the BCL6 Btb-Domain with Compound 1

The structure of Crystal Structure of the BCL6 Btb-Domain with Compound 1, PDB code: 5mw6 was solved by D.R.Davies, D.Kessler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.860, 33.010, 48.900, 90.00, 94.73, 90.00
R / Rfree (%)	18.1 / 21

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb-Domain with Compound 1 (pdb code 5mw6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the BCL6 Btb-Domain with Compound 1, PDB code: 5mw6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the BCL6 Btb-Domain with Compound 1


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 with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.9 occ:0.70 CL4 A:RC0201 0.0 27.9 0.7 C9 A:RC0201 1.7 27.0 0.7 C12 A:RC0201 2.7 25.5 0.7 C5 A:RC0201 2.8 26.9 0.7 N11 A:RC0201 3.0 27.2 0.7 O B:MET51 3.1 17.7 1.0 C B:MET51 3.2 16.9 1.0 N B:ALA52 3.3 14.9 1.0 CA B:ALA52 3.4 15.4 1.0 CD2 A:LEU25 3.4 20.8 1.0 CD1 B:TYR58 3.5 22.8 1.0 CG A:LEU25 3.6 20.5 1.0 CE1 B:TYR58 3.6 24.5 1.0 CB B:MET51 3.7 14.7 1.0 CD1 A:LEU25 3.8 21.0 1.0 O A:ASN21 3.9 18.4 1.0 N8 A:RC0201 3.9 27.5 0.7 CB A:ASN21 3.9 13.3 1.0 N3 A:RC0201 4.0 27.1 0.7 CA B:MET51 4.1 12.5 1.0 CB B:ALA52 4.2 16.7 1.0 C A:ASN21 4.4 18.5 1.0 C2 A:RC0201 4.4 28.1 0.7 C13 A:RC0201 4.4 27.5 0.7 C B:ALA52 4.5 18.4 1.0 CG A:ASN21 4.6 27.2 1.0 CA A:ASN21 4.7 14.8 1.0 CG B:TYR58 4.8 21.1 1.0 O B:THR48 4.8 14.1 1.0 ND2 A:ASN21 4.9 19.7 1.0 O B:ALA52 4.9 19.6 1.0 CZ B:TYR58 5.0 31.0 1.0 CE B:MET51 5.0 20.1 1.0 CG B:MET51 5.0 18.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the BCL6 Btb-Domain with Compound 1


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 with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:28.6 occ:0.70 CL6 A:RC0201 0.0 28.6 0.7 C15 A:RC0201 1.7 27.4 0.7 C21 A:RC0201 2.7 27.4 0.7 C20 A:RC0201 2.7 27.4 0.7 O B:GLN113 3.3 20.7 1.0 CA B:GLY55 3.5 15.4 1.0 N B:GLY55 3.6 15.6 1.0 C19 A:RC0201 4.0 27.7 0.7 C18 A:RC0201 4.0 27.8 0.7 C B:GLN113 4.4 22.1 1.0 CB B:GLN113 4.5 17.9 1.0 C13 A:RC0201 4.5 27.5 0.7 C B:SER54 4.6 17.9 1.0 C B:GLY55 5.0 18.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the BCL6 Btb-Domain with Compound 1


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 with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:34.1 occ:1.00 CL4 A:RC0202 0.0 34.1 1.0 C9 A:RC0202 1.7 31.1 1.0 C12 A:RC0202 2.7 29.7 1.0 C5 A:RC0202 2.7 30.6 1.0 N11 A:RC0202 3.0 29.2 1.0 O A:MET51 3.2 19.4 1.0 C A:MET51 3.3 18.4 1.0 N A:ALA52 3.5 15.5 1.0 CA A:ALA52 3.5 15.8 1.0 CD2 B:LEU25 3.5 20.6 1.0 CD1 A:TYR58 3.7 23.4 1.0 CG B:LEU25 3.7 19.7 1.0 CB A:MET51 3.7 16.8 1.0 CB B:ASN21 3.8 16.4 1.0 CD1 B:LEU25 3.9 21.3 1.0 N8 A:RC0202 3.9 29.6 1.0 N3 A:RC0202 4.0 30.1 1.0 O B:ASN21 4.0 19.6 1.0 CA A:MET51 4.1 14.9 1.0 CE1 A:TYR58 4.2 25.8 1.0 CB A:ALA52 4.3 16.4 1.0 CG B:ASN21 4.3 30.8 1.0 C13 A:RC0202 4.4 29.7 1.0 C B:ASN21 4.4 18.7 1.0 C2 A:RC0202 4.4 30.6 1.0 CA B:ASN21 4.6 16.9 1.0 ND2 B:ASN21 4.6 26.9 1.0 C A:ALA52 4.6 20.3 1.0 CG A:TYR58 4.7 22.1 1.0 CB A:TYR58 4.9 19.1 1.0 OD1 B:ASN21 4.9 24.3 1.0 O A:THR48 4.9 18.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the BCL6 Btb-Domain with Compound 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the BCL6 Btb-Domain with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:35.0 occ:1.00 CL6 A:RC0202 0.0 35.0 1.0 C15 A:RC0202 1.7 32.6 1.0 C21 A:RC0202 2.7 31.2 1.0 C20 A:RC0202 2.7 32.2 1.0 O A:GLN113 3.3 28.9 1.0 CA A:GLY55 3.3 22.3 1.0 N A:GLY55 3.6 22.1 1.0 C18 A:RC0202 4.0 29.9 1.0 C19 A:RC0202 4.0 30.7 1.0 CB A:GLN113 4.4 26.9 1.0 C A:GLN113 4.4 29.2 1.0 C13 A:RC0202 4.5 29.7 1.0 C A:SER54 4.5 23.3 1.0 C A:GLY55 4.8 25.5 1.0

N.Kerres, S.Steurer, S.Schlager, G.Bader, H.Berger, M.Caligiuri, C.Dank, J.R.Engen, P.Ettmayer, B.Fischerauer, G.Flotzinger, D.Gerlach, T.Gerstberger, T.Gmaschitz, P.Greb, B.Han, E.Heyes, R.E.Iacob, D.Kessler, H.Kolle, L.Lamarre, D.R.Lancia, S.Lucas, M.Mayer, K.Mayr, N.Mischerikow, K.Muck, C.Peinsipp, O.Petermann, U.Reiser, D.Rudolph, K.Rumpel, C.Salomon, D.Scharn, R.Schnitzer, A.Schrenk, N.Schweifer, D.Thompson, E.Traxler, R.Varecka, T.Voss, A.Weiss-Puxbaum, S.Winkler, X.Zheng, A.Zoephel, N.Kraut, D.Mcconnell, M.Pearson, M.Koegl. Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep V. 20 2860 2017.
ISSN: ESSN 2211-1247
PubMed: 28930682
DOI: 10.1016/J.CELREP.2017.08.081