Fluorine in PDB 7hj9: Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000155614

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000155614, PDB code: 7hj9 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)	45.28 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.235, 46.896, 46.531, 90, 103.33, 90
R / Rfree (%)	17.9 / 22.4

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000155614 (pdb code 7hj9). 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 ZINC000000155614, PDB code: 7hj9:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000155614


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 ZINC000000155614 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:32.6 occ:0.32 F A:FBV201 0.0 32.6 0.3 C5 A:FBV201 1.4 22.7 0.3 HD11 A:LEU108 1.4 34.9 0.7 C4 A:FBV201 2.4 20.9 0.3 CD1 A:LEU108 2.4 29.0 0.7 C6 A:FBV201 2.4 26.0 0.3 HD22 A:LEU108 2.5 24.3 0.3 O2 A:FBV201 2.5 26.5 0.3 H6 A:FBV201 2.6 31.4 0.3 HD12 A:LEU108 2.8 34.9 0.7 S A:FBV201 2.9 22.9 0.3 HD13 A:LEU108 3.0 34.9 0.7 HD21 A:LEU108 3.0 29.5 0.7 HD21 A:LEU108 3.1 24.3 0.3 HG A:LEU108 3.1 29.4 0.7 CG A:LEU108 3.1 24.4 0.7 H22N A:FBV201 3.1 38.3 0.3 CD2 A:LEU108 3.2 20.1 0.3 HD22 A:LEU108 3.3 29.5 0.7 CD2 A:LEU108 3.3 24.4 0.7 OH A:TYR46 3.4 22.3 0.7 HA3 A:GLY82 3.4 20.2 1.0 N2 A:FBV201 3.4 31.8 0.3 HD13 A:LEU108 3.5 28.9 0.3 HH A:TYR46 3.6 26.9 0.7 CZ A:TYR46 3.6 19.8 0.7 OH A:TYR46 3.6 24.3 0.3 C1 A:FBV201 3.7 22.2 0.3 C3 A:FBV201 3.7 18.3 0.3 H21N A:FBV201 3.8 38.3 0.3 CZ A:TYR46 3.8 19.6 0.3 HB3 A:LEU108 3.9 25.9 0.3 HD23 A:LEU108 3.9 24.3 0.3 HH A:TYR46 3.9 29.3 0.3 HG1 A:THR112 3.9 46.9 0.7 O A:GLY82 3.9 17.1 1.0 HB2 A:PHE86 3.9 21.5 1.0 HE1 A:TYR46 4.0 29.5 0.3 CE1 A:TYR46 4.0 24.5 0.7 CE1 A:TYR46 4.0 24.5 0.3 HE1 A:TYR46 4.0 29.6 0.7 CA A:GLY82 4.0 16.7 1.0 OG1 A:THR112 4.1 39.0 0.7 C A:GLY82 4.1 19.5 1.0 HA2 A:GLY82 4.1 20.2 1.0 CG A:LEU108 4.1 22.9 0.3 CD1 A:LEU108 4.1 23.9 0.3 CE2 A:TYR46 4.2 20.6 0.7 C2 A:FBV201 4.2 25.2 0.3 O A:HOH336 4.2 35.8 1.0 HG1 A:THR112 4.2 42.9 0.3 O1 A:FBV201 4.3 27.4 0.3 HD23 A:LEU108 4.3 29.5 0.7 OG1 A:THR112 4.3 35.6 0.3 HD11 A:LEU108 4.3 28.9 0.3 HE2 A:TYR46 4.3 24.8 0.7 CE2 A:TYR46 4.5 21.4 0.3 CB A:LEU108 4.5 21.5 0.3 H1 A:FBV201 4.5 26.8 0.3 H3 A:FBV201 4.5 22.1 0.3 CB A:LEU108 4.6 22.4 0.7 HE2 A:TYR46 4.7 25.9 0.3 HA A:LEU108 4.7 25.5 0.3 CD1 A:TYR46 4.8 17.2 0.7 CD1 A:TYR46 4.8 18.2 0.3 HG12 A:VAL111 4.8 46.6 0.3 N A:LYS83 4.8 17.6 1.0 HB2 A:LEU108 4.9 27.1 0.7 CB A:PHE86 4.9 17.8 1.0 O A:LEU108 4.9 22.1 0.7 CD2 A:TYR46 4.9 23.8 0.7 HG A:LEU108 5.0 27.7 0.3 HD12 A:LEU108 5.0 28.9 0.3 HA A:LEU108 5.0 28.6 0.7 HA A:LYS83 5.0 21.7 1.0

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