Fluorine in PDB 7hth: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z445186088

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z445186088:
3.1.2.14;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z445186088, PDB code: 7hth was solved by E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.46 / 2.09
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.3, 99.34, 128.99, 90, 90, 90
R / Rfree (%)	28.9 / 33.2

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z445186088 (pdb code 7hth). 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 Fata in Complex with Z445186088, PDB code: 7hth:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z445186088


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 Fata in Complex with Z445186088 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:29.5 occ:0.48 F A:UWV401 0.0 29.5 0.5 C A:UWV401 1.4 28.6 0.5 C1 A:UWV401 2.4 27.6 0.5 C5 A:UWV401 2.4 28.2 0.5 N A:UWV401 2.7 29.1 0.5 NH1 A:ARG176 3.2 38.9 1.0 CB A:ALA118 3.3 32.1 1.0 CA A:ALA118 3.4 32.4 1.0 C2 A:UWV401 3.6 27.9 0.5 C4 A:UWV401 3.6 27.8 0.5 CD2 A:PHE123 3.9 37.5 0.5 N A:ALA118 3.9 31.8 1.0 CB A:ALA129 3.9 36.7 0.5 C8 A:UWV401 4.0 28.4 0.5 C6 A:UWV401 4.1 29.0 0.5 C3 A:UWV401 4.1 28.2 0.5 C7 A:UWV401 4.4 28.5 0.5 CB A:PHE123 4.5 37.4 0.5 CG A:PHE123 4.5 37.1 0.5 CZ A:ARG176 4.5 40.3 1.0 CE2 A:PHE123 4.6 37.9 0.5 SG A:CYS166 4.7 31.0 0.5 C A:HIS117 4.7 32.2 1.0 O A:GLY114 4.7 34.5 1.0 C A:ALA118 4.8 32.2 1.0 CA A:ALA129 4.8 36.5 0.5 CG2 A:VAL121 5.0 34.8 0.5

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z445186088


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 Fata in Complex with Z445186088 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:35.3 occ:0.61 F B:UWV401 0.0 35.3 0.6 C B:UWV401 1.4 35.1 0.6 C1 B:UWV401 2.3 34.5 0.6 C5 B:UWV401 2.4 35.1 0.6 CG2 B:THR130 2.7 47.7 0.6 N B:UWV401 2.8 35.3 0.6 NH1 B:ARG176 3.2 22.8 0.6 CB B:ALA118 3.3 37.2 1.0 CA B:ALA118 3.4 36.9 1.0 C2 B:UWV401 3.6 34.9 0.6 C4 B:UWV401 3.6 34.8 0.6 N B:ALA118 3.8 34.6 1.0 N2 B:UWV401 3.9 35.3 0.6 CD2 B:PHE123 3.9 40.4 0.6 CB B:THR130 4.1 47.8 0.6 C6 B:UWV401 4.1 35.5 0.6 C3 B:UWV401 4.1 34.7 0.6 C7 B:UWV401 4.4 35.2 0.6 OG1 B:THR130 4.4 49.8 0.6 CZ B:ARG176 4.5 26.5 0.6 SG B:CYS166 4.6 39.0 0.6 C B:HIS117 4.6 34.1 1.0 CB B:PHE123 4.6 39.6 0.6 CG B:PHE123 4.6 39.7 0.6 CE2 B:PHE123 4.6 40.7 0.6 O B:GLY114 4.7 35.9 1.0 C B:ALA118 4.7 39.1 1.0 CG2 B:VAL121 4.9 45.0 1.0 CG B:HIS117 4.9 36.4 1.0 N1 B:UWV401 4.9 35.4 0.6 O B:HIS117 5.0 33.4 1.0 ND1 B:HIS117 5.0 38.0 1.0

E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Von Delft. Pandda Analysis Group Deposition To Be Published.