Fluorine in PDB 5qhq: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A, PDB code: 5qhq was solved by D.M.Pinkas, J.C.Bufton, A.E.Fox, R.Talon, T.Krojer, A.Douangamath, P.Collins, R.Zhang, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, A.N.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.48 / 1.96
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	50.484, 50.484, 154.218, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.5

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A (pdb code 5qhq). 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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A, PDB code: 5qhq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A


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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:56.3 occ:0.52 F1 A:GQP203 0.0 56.3 0.5 C12 A:GQP203 1.4 50.4 0.5 C11 A:GQP203 2.3 48.5 0.5 C13 A:GQP203 2.4 49.8 0.5 NH2 A:ARG160 3.4 55.4 1.0 CG A:ARG160 3.4 32.5 1.0 C10 A:GQP203 3.6 51.2 0.5 C14 A:GQP203 3.6 48.5 0.5 CZ A:ARG160 3.7 50.9 1.0 NE A:ARG160 4.0 43.2 1.0 C9 A:GQP203 4.1 46.8 0.5 CD A:ARG160 4.1 37.1 1.0 NH1 A:ARG160 4.4 56.0 1.0 CB A:ARG160 4.5 28.2 1.0 CD2 A:PHE159 4.5 29.3 1.0 CE2 A:PHE159 4.7 28.4 1.0 CA A:ARG160 4.8 26.4 1.0

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A


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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000574A within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:48.3 occ:0.68 F1 A:GQP204 0.0 48.3 0.7 C12 A:GQP204 1.4 41.4 0.7 C13 A:GQP204 2.3 36.9 0.7 C11 A:GQP204 2.3 45.5 0.7 CG2 A:THR20 3.1 30.0 1.0 CD A:PRO14 3.6 26.6 1.0 C14 A:GQP204 3.6 37.5 0.7 C10 A:GQP204 3.6 42.1 0.7 CE1 A:HIS12 3.7 30.5 1.0 CG A:PRO14 3.9 30.8 1.0 C9 A:GQP204 4.1 38.6 0.7 ND1 A:HIS12 4.3 33.4 1.0 CB A:THR20 4.4 28.2 1.0 NE2 A:HIS12 4.6 26.0 1.0 N A:PRO14 5.0 26.3 1.0 O A:HOH317 5.0 27.5 1.0

D.M.Pinkas, J.C.Bufton, A.E.Fox, R.Talon, T.Krojer, A.Douangamath, P.Collins, R.Zhang, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, A.N.Bullock. Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) To Be Published.