Bromine in PDB 7hji: Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000404314

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000404314, PDB code: 7hji 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)	45.11 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.191, 47.213, 46.34, 90, 103.25, 90
R / Rfree (%)	18.3 / 22.6

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000404314 (pdb code 7hji). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000404314, PDB code: 7hji:

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000404314


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000404314 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:35.6 occ:0.48 BR1 A:2SX201 0.0 35.6 0.5 C1 A:2SX201 1.9 30.2 0.5 HD11 A:LEU108 2.4 21.2 0.5 C4 A:2SX201 2.9 26.2 0.5 C2 A:2SX201 2.9 31.5 0.5 H4 A:2SX201 2.9 31.4 0.5 H8 A:2SX201 3.0 37.8 0.5 HD11 A:LEU108 3.0 24.9 0.5 HA3 A:GLY82 3.1 17.8 0.5 HA3 A:GLY82 3.1 12.9 0.5 CD1 A:LEU108 3.3 17.7 0.5 HD1 A:PHE79 3.5 28.4 0.5 HD12 A:LEU108 3.5 21.2 0.5 C A:GLY82 3.6 11.4 0.5 HD13 A:LEU108 3.7 21.2 0.5 CZ A:TYR46 3.7 41.6 0.5 CE1 A:TYR46 3.7 18.9 0.5 HE1 A:TYR46 3.7 22.7 0.5 O A:GLY82 3.8 10.8 0.5 CA A:GLY82 3.8 10.7 0.5 CZ A:TYR46 3.8 11.0 0.5 HE1 A:PHE79 3.8 46.5 0.5 CD1 A:LEU108 3.8 20.7 0.5 CA A:GLY82 3.8 14.8 0.5 N A:LYS83 3.9 11.1 0.5 CE1 A:TYR46 3.9 27.7 0.5 CE2 A:TYR46 3.9 20.7 0.5 HA A:LYS83 3.9 17.4 0.5 HD12 A:LEU108 3.9 24.9 0.5 HD21 A:LEU108 4.0 30.0 0.5 C A:GLY82 4.0 8.7 0.5 OH A:TYR46 4.0 43.1 0.5 HG A:LEU108 4.0 33.3 0.5 OH A:TYR46 4.0 18.3 0.5 HA2 A:GLY82 4.1 17.8 0.5 HB2 A:PHE86 4.1 13.5 0.5 CD1 A:TYR46 4.1 10.2 0.5 HA2 A:GLY82 4.1 12.9 0.5 H A:LYS83 4.2 13.3 0.5 HE1 A:TYR46 4.2 33.3 0.5 O A:GLY82 4.2 12.3 0.5 HE2 A:TYR46 4.2 24.9 0.5 HH A:TYR46 4.2 51.8 0.5 C5 A:2SX201 4.2 21.3 0.5 C3 A:2SX201 4.2 21.1 0.5 CD1 A:PHE79 4.2 23.6 0.5 CD1 A:TYR46 4.3 26.1 0.5 CD2 A:TYR46 4.3 20.8 0.5 HB2 A:PHE86 4.3 11.7 0.5 HD21 A:LEU108 4.3 30.2 0.5 CE2 A:TYR46 4.3 17.1 0.5 CE1 A:PHE79 4.4 38.7 0.5 CG A:LEU108 4.4 27.7 0.5 OG1 A:THR112 4.4 35.0 0.5 CA A:LYS83 4.4 14.5 0.5 HG1 A:THR112 4.4 44.9 0.5 CG A:LEU108 4.4 23.6 0.5 HH A:TYR46 4.4 22.0 0.5 HD1 A:TYR46 4.5 12.3 0.5 CG A:TYR46 4.5 22.8 0.5 HG A:LEU108 4.5 28.4 0.5 HG1 A:THR112 4.5 42.0 0.5 N A:LYS83 4.6 13.6 0.5 HD22 A:LEU108 4.6 30.2 0.5 HD13 A:LEU108 4.6 24.9 0.5 OG1 A:THR112 4.6 37.4 0.5 CG A:TYR46 4.7 11.7 0.5 CD2 A:LEU108 4.7 25.0 0.5 CD2 A:LEU108 4.7 25.2 0.5 C6 A:2SX201 4.7 18.6 0.5 CD2 A:TYR46 4.7 15.1 0.5 O A:PHE79 4.7 11.5 0.5 HB2 A:LYS83 4.8 20.4 0.5 HB3 A:PHE86 4.8 13.5 0.5 HE2 A:TYR46 4.8 20.6 0.5 HD1 A:TYR46 4.8 31.3 0.5 HD2 A:TYR46 4.8 25.0 0.5 H A:LYS83 4.8 16.3 0.5 O A:HOH332 4.8 23.9 0.5 CB A:PHE86 4.9 11.2 0.5 HA A:PHE79 4.9 14.7 0.5 HA A:LYS83 4.9 14.8 0.5 O A:HOH355 4.9 31.3 0.5 O A:PHE79 5.0 29.6 0.5 N A:GLY82 5.0 14.8 0.5

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