Fluorine in PDB 7hjq: Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000017744334

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000017744334, PDB code: 7hjq was solved by G.J.Correy, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.19 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.145, 47.261, 46.401, 90, 103.14, 90
R / Rfree (%)	18.4 / 24.2

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000017744334 (pdb code 7hjq). 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 Able in Complex with ZINC000017744334, PDB code: 7hjq:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000017744334


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 Able in Complex with ZINC000017744334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:18.0 occ:0.38 F10 A:FBB201 0.0 18.0 0.4 C5 A:FBB201 1.4 14.4 0.4 HB2 A:LYS83 2.1 23.9 0.6 C6 A:FBB201 2.4 17.0 0.4 C4 A:FBB201 2.4 11.9 0.4 HG3 A:LYS83 2.4 22.4 0.6 HA A:LYS83 2.5 23.6 0.6 H1 A:FBB201 2.5 20.4 0.4 H3 A:FBB201 2.6 14.3 0.4 CB A:LYS83 2.7 19.9 0.6 HB3 A:TYR46 2.7 26.3 0.6 HA A:LYS83 2.7 14.1 0.4 HB2 A:LYS83 2.8 18.1 0.4 HB3 A:TYR46 2.8 16.7 0.4 CG A:LYS83 2.9 18.6 0.6 CA A:LYS83 3.0 19.6 0.6 HD2 A:LYS83 3.2 27.5 0.6 O A:HOH303 3.2 36.5 1.0 HE1 A:PHE79 3.2 28.9 0.6 CA A:LYS83 3.3 11.8 0.4 CB A:LYS83 3.4 15.1 0.4 HE1 A:PHE79 3.4 31.0 0.4 CE1 A:PHE79 3.5 24.1 0.6 HG3 A:LYS83 3.5 16.1 0.4 CB A:TYR46 3.5 21.9 0.6 CD A:LYS83 3.6 22.9 0.6 HB3 A:LYS83 3.6 23.9 0.6 HZ A:PHE79 3.6 21.2 0.6 CE1 A:PHE79 3.6 25.8 0.4 N A:LYS83 3.6 14.1 0.4 C1 A:FBB201 3.6 11.3 0.4 C3 A:FBB201 3.6 9.8 0.4 HZ A:PHE79 3.7 21.7 0.4 CZ A:PHE79 3.7 17.6 0.6 CB A:TYR46 3.7 13.9 0.4 H A:LYS83 3.7 16.9 0.4 N A:LYS83 3.7 13.3 0.6 CZ A:PHE79 3.7 18.1 0.4 HG2 A:LYS83 3.8 22.4 0.6 CG A:TYR46 3.8 18.4 0.6 HB2 A:TYR46 3.8 26.3 0.6 H A:LYS83 3.9 16.0 0.6 CG A:LYS83 3.9 13.4 0.4 HD2 A:LYS83 3.9 29.3 0.4 HB2 A:TYR46 4.0 16.7 0.4 CG A:TYR46 4.1 15.7 0.4 C2 A:FBB201 4.2 12.4 0.4 CD2 A:TYR46 4.2 21.5 0.6 HD2 A:TYR46 4.2 25.8 0.6 HD3 A:LYS83 4.3 27.5 0.6 HB3 A:LYS83 4.3 18.1 0.4 C A:GLY82 4.3 9.8 0.4 CD1 A:PHE79 4.3 18.9 0.6 C A:LYS83 4.3 18.8 0.6 HB3 A:PHE86 4.3 14.8 0.4 O A:PHE79 4.3 15.4 0.4 CD1 A:PHE79 4.3 17.8 0.4 HE3 A:LYS83 4.4 35.5 0.6 HB3 A:PHE86 4.4 21.6 0.6 CD1 A:TYR46 4.4 17.2 0.6 CD A:LYS83 4.5 24.4 0.4 H2 A:FBB201 4.5 13.6 0.4 O A:PHE79 4.5 18.3 0.6 HD1 A:TYR46 4.5 20.7 0.6 HD1 A:PHE79 4.6 22.8 0.6 CE2 A:PHE79 4.6 15.1 0.4 C A:GLY82 4.6 15.6 0.6 CE A:LYS83 4.6 29.5 0.6 O A:LYS83 4.6 18.3 0.6 CD1 A:TYR46 4.6 14.8 0.4 CD2 A:TYR46 4.6 17.1 0.4 O A:GLY82 4.6 12.7 0.4 HD1 A:PHE79 4.6 21.3 0.4 CE2 A:PHE79 4.7 18.8 0.6 HD1 A:TYR46 4.7 17.7 0.4 HD2 A:TYR46 4.7 20.5 0.4 C A:LYS83 4.7 16.2 0.4 HB2 A:PHE86 4.7 14.8 0.4 CA A:TYR46 4.7 15.1 0.6 HD2 A:PHE86 4.8 19.1 0.4 HG2 A:LYS83 4.8 16.1 0.4 CA A:TYR46 4.8 19.1 0.4 O A:TYR46 4.8 19.8 0.4 HA A:TYR46 4.8 18.1 0.6 O A:HOH338 4.9 31.6 1.0 HA3 A:GLY82 4.9 16.9 0.4 O A:GLY82 4.9 13.1 0.6 HD2 A:PHE86 4.9 19.0 0.6 C A:TYR46 4.9 15.2 0.4 CB A:PHE86 4.9 12.3 0.4 HB2 A:GLU50 4.9 28.3 0.6 HA A:TYR46 4.9 23.0 0.4 O A:TYR46 4.9 16.9 0.6

G.J.Correy, J.S.Fraser. Fragment Screen Against Able To Be Published.