Atomistry » Fluorine » PDB 6eol-6fex » 6ew7
Atomistry »
  Fluorine »
    PDB 6eol-6fex »
      6ew7 »

Fluorine in PDB 6ew7: Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand

Protein crystallography data

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand, PDB code: 6ew7 was solved by G.Robb, A.Ferguson, D.Hargreaves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.90 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 30.780, 39.290, 55.430, 83.98, 73.95, 67.11
R / Rfree (%) 20.7 / 23.6

Other elements in 6ew7:

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

Chlorine (Cl) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand (pdb code 6ew7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand, PDB code: 6ew7:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6ew7

Go back to Fluorine Binding Sites List in 6ew7
Fluorine binding site 1 out of 2 in the Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:19.6
occ:1.00
F A:C1W202 0.0 19.6 1.0
C2 A:C1W202 1.4 18.2 1.0
C3 A:C1W202 2.3 17.4 1.0
C1 A:C1W202 2.4 13.2 1.0
H2 A:C1W202 2.6 17.8 1.0
H1 A:C1W202 2.6 12.9 1.0
O A:HOH345 2.8 28.6 1.0
CA A:GLY55 3.2 10.2 1.0
N A:GLY55 3.3 9.9 1.0
O A:GLN113 3.4 11.8 1.0
C4 A:C1W202 3.6 18.5 1.0
O A:HOH368 3.6 36.1 1.0
C A:C1W202 3.6 12.1 1.0
C5 A:C1W202 4.1 13.3 1.0
C A:SER54 4.2 12.2 1.0
H3 A:C1W202 4.5 18.4 1.0
C A:GLN113 4.5 13.6 1.0
H A:C1W202 4.5 11.4 1.0
O A:HOH340 4.5 24.9 1.0
CB A:GLN113 4.6 12.6 1.0
C A:GLY55 4.7 13.4 1.0
CL A:C1W202 4.7 41.4 1.0
O A:HOH312 4.9 30.3 1.0
O A:SER54 4.9 11.1 1.0
CA A:SER54 5.0 8.1 1.0

Fluorine binding site 2 out of 2 in 6ew7

Go back to Fluorine Binding Sites List in 6ew7
Fluorine binding site 2 out of 2 in the Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the BCL6 Btb Domain in Complex with Anilinopyrimidine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:22.9
occ:1.00
F B:C1W202 0.0 22.9 1.0
C2 B:C1W202 1.4 18.3 1.0
C3 B:C1W202 2.3 17.0 1.0
C1 B:C1W202 2.4 12.4 1.0
H2 B:C1W202 2.6 17.1 1.0
H1 B:C1W202 2.6 11.8 1.0
O B:HOH347 2.8 21.9 1.0
CA B:GLY55 3.2 9.3 1.0
N B:GLY55 3.2 9.6 1.0
O B:GLN113 3.3 13.9 1.0
O B:HOH372 3.6 29.4 1.0
C4 B:C1W202 3.6 14.6 1.0
C B:C1W202 3.6 13.8 1.0
C5 B:C1W202 4.1 13.4 1.0
C B:SER54 4.2 11.7 1.0
O B:HOH389 4.2 41.9 1.0
C B:GLN113 4.4 14.6 1.0
H3 B:C1W202 4.5 15.3 1.0
H B:C1W202 4.5 14.0 1.0
CB B:GLN113 4.7 11.6 1.0
C B:GLY55 4.7 14.0 1.0
O B:SER54 4.9 11.3 1.0
CA B:SER54 4.9 8.6 1.0
O B:HOH370 4.9 20.3 1.0
CL B:C1W202 5.0 48.4 1.0

Reference:

W.Mccoull, T.Cheung, E.Anderson, P.Barton, J.Burgess, K.Byth, Q.Cao, M.P.Castaldi, H.Chen, E.Chiarparin, R.J.Carbajo, E.Code, S.Cowan, P.R.Davey, A.D.Ferguson, S.Fillery, N.O.Fuller, N.Gao, D.Hargreaves, M.R.Howard, J.Hu, A.Kawatkar, P.D.Kemmitt, E.Leo, D.M.Molina, N.O'connell, P.Petteruti, T.Rasmusson, P.Raubo, P.B.Rawlins, P.Ricchiuto, G.R.Robb, M.Schenone, M.J.Waring, M.Zinda, S.Fawell, D.M.Wilson. Development of A Novel B-Cell Lymphoma 6 (BCL6) Protac to Provide Insight Into Small Molecule Targeting of BCL6. Acs Chem. Biol. V. 13 3131 2018.
ISSN: ESSN 1554-8937
PubMed: 30335946
DOI: 10.1021/ACSCHEMBIO.8B00698
Page generated: Tue Jul 15 11:19:56 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy