Fluorine in PDB 5qsc: Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z300245038

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z300245038, PDB code: 5qsc 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)	65.31 / 1.62
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	99.910, 99.910, 99.550, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z300245038 (pdb code 5qsc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z300245038, PDB code: 5qsc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z300245038


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 Z300245038 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:84.7 occ:0.40 F A:O0P301 0.0 84.7 0.4 C6 A:O0P301 1.3 60.8 0.4 C5 A:O0P301 2.2 29.6 0.4 C7 A:O0P301 2.3 64.9 0.4 O A:HOH419 3.0 84.3 1.0 CG A:GLU48 3.3 27.4 1.0 C4 A:O0P301 3.4 44.3 0.4 C2 A:O0P301 3.5 61.4 0.4 CD A:GLU48 3.6 32.9 1.0 CB A:GLU48 3.7 25.7 1.0 C3 A:O0P301 3.9 64.8 0.4 OE2 A:GLU48 4.0 33.7 1.0 CA A:GLU48 4.1 25.6 1.0 OE1 A:GLU48 4.2 34.6 1.0 CB A:LEU51 4.4 27.9 1.0 CD2 A:LEU51 4.8 30.8 1.0 C1 A:O0P301 4.8 64.1 0.4 O A:HOH421 4.8 30.4 1.0

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z300245038


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Human Brachyury G177D Variant in Complex with Z300245038 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:51.9 occ:0.28 F A:O0P302 0.0 51.9 0.3 C6 A:O0P302 1.3 50.1 0.3 C5 A:O0P302 2.3 50.2 0.3 C7 A:O0P302 2.4 50.0 0.3 C4 A:O0P302 3.6 49.7 0.3 C2 A:O0P302 3.6 49.6 0.3 CD A:GLU41 4.0 65.4 1.0 OE2 A:GLU41 4.0 73.5 1.0 C3 A:O0P302 4.1 48.8 0.3 OE1 A:GLU41 4.1 59.1 1.0 CG A:GLU41 4.4 58.3 1.0 CA A:GLU41 4.5 40.0 1.0 CB A:GLU41 4.8 51.0 1.0 C1 A:O0P302 4.8 49.8 0.3

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.