Fluorine in PDB 5qs8: Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z1432018343

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z1432018343, PDB code: 5qs8 was solved by J.A.Newman, A.E.Gavard, L.Sherestha, N.A.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.97 / 1.47
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	99.934, 99.934, 99.314, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 23.4

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z1432018343 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z1432018343 (pdb code 5qs8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z1432018343, PDB code: 5qs8:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z1432018343


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z1432018343 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:64.1 occ:0.45 F A:O0G301 0.0 64.1 0.5 C7 A:O0G301 1.1 63.0 0.5 C6 A:O0G301 2.1 66.0 0.5 C3 A:O0G301 2.3 54.1 0.5 N A:O0G301 2.8 53.0 0.5 C5 A:O0G301 3.2 64.0 0.5 CG A:GLU48 3.4 20.0 1.0 N1 A:O0G301 3.4 48.4 0.5 CB A:GLU48 3.6 19.0 1.0 CD A:GLU48 3.6 20.8 1.0 C4 A:O0G301 3.7 59.9 0.5 OE2 A:GLU48 3.8 21.7 1.0 CA A:GLU48 3.9 18.4 1.0 OE1 A:GLU48 4.2 22.5 1.0 C1 A:O0G301 4.2 50.5 0.5 CB A:LEU51 4.4 21.3 1.0 CL A:O0G301 4.6 67.7 0.5 C A:O0G301 4.7 50.1 0.5 O A:HOH436 4.8 20.8 1.0 C A:GLU48 4.9 18.2 1.0 CD2 A:LEU51 4.9 23.2 1.0 O A:GLU48 5.0 18.0 1.0 N A:GLU48 5.0 18.3 1.0

J.A.Newman, A.E.Gavard, L.Sherestha, N.A.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.