Bromine in PDB 7hj2: Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000388063

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000388063, PDB code: 7hj2 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)	45.18 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.25, 47.179, 46.442, 90, 103.4, 90
R / Rfree (%)	19.2 / 24.2

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000388063 (pdb code 7hj2). 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 ZINC000000388063, PDB code: 7hj2:

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000388063


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 ZINC000000388063 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:20.2 occ:0.40 BR4 A:Z82201 0.0 20.2 0.4 HH A:TYR46 1.2 31.1 0.6 HE2 A:TYR46 1.6 36.5 0.6 OH A:TYR46 1.9 25.9 0.6 C4 A:Z82201 2.0 14.9 0.4 CE2 A:TYR46 2.2 30.5 0.6 CZ A:TYR46 2.3 17.5 0.6 HD21 A:LEU108 2.8 29.0 0.6 HD22 A:LEU42 2.8 18.6 0.6 HD1 A:PHE20 2.9 31.4 0.6 C5 A:Z82201 3.0 19.0 0.4 HD1 A:PHE86 3.0 20.1 0.6 HD21 A:LEU108 3.0 30.3 0.4 H5 A:Z82201 3.0 22.8 0.4 C3 A:Z82201 3.0 15.8 0.4 H3 A:Z82201 3.1 19.0 0.4 HD22 A:LEU42 3.2 17.7 0.4 HE2 A:TYR46 3.2 13.3 0.4 HD13 A:LEU42 3.2 19.2 0.6 O A:HOH422 3.2 15.1 0.4 HB3 A:LEU42 3.3 17.1 0.4 HD1 A:PHE86 3.3 20.1 0.4 CD1 A:PHE86 3.4 16.8 0.6 HB3 A:LEU42 3.4 17.2 0.6 HD13 A:LEU42 3.4 18.3 0.4 CD1 A:PHE86 3.5 16.8 0.4 CD2 A:TYR46 3.5 28.2 0.6 CD1 A:PHE20 3.6 26.2 0.6 HD2 A:PHE20 3.6 11.4 0.4 HE1 A:PHE86 3.6 23.7 0.6 HE1 A:PHE86 3.7 19.8 0.4 CE1 A:TYR46 3.7 26.2 0.6 CD2 A:LEU108 3.7 24.2 0.6 CE1 A:PHE86 3.7 16.5 0.4 CE1 A:PHE86 3.8 19.8 0.6 CD2 A:LEU42 3.8 15.5 0.6 CE2 A:TYR46 3.8 11.1 0.4 CD2 A:LEU108 3.8 25.2 0.4 HD23 A:LEU108 3.9 30.3 0.4 HH A:TYR46 3.9 12.6 0.4 HD2 A:TYR46 4.0 33.8 0.6 HB2 A:PHE86 4.0 16.4 0.6 HB2 A:PHE20 4.0 19.7 0.6 HE1 A:PHE20 4.0 19.4 0.6 HD23 A:LEU108 4.0 29.0 0.6 CD1 A:LEU42 4.1 16.0 0.6 CD2 A:LEU42 4.1 14.8 0.4 HB2 A:PHE20 4.1 16.9 0.4 HD22 A:LEU108 4.1 29.0 0.6 CB A:LEU42 4.2 14.2 0.4 HD21 A:LEU42 4.2 18.6 0.6 HE1 A:MET89 4.2 27.3 0.6 HE1 A:TYR46 4.2 31.4 0.6 CE1 A:PHE20 4.2 16.1 0.6 HB2 A:PHE86 4.2 18.6 0.4 CG A:PHE86 4.2 14.7 0.6 C6 A:Z82201 4.2 18.3 0.4 CG A:LEU42 4.2 14.3 0.6 CB A:LEU42 4.2 14.3 0.6 CG A:PHE86 4.2 14.4 0.4 C2 A:Z82201 4.3 16.6 0.4 HD11 A:LEU108 4.3 31.6 0.6 CD1 A:LEU42 4.3 15.3 0.4 HD23 A:LEU42 4.3 18.6 0.6 OH A:TYR46 4.4 10.4 0.4 CG A:LEU42 4.4 15.2 0.4 CZ A:TYR46 4.4 8.5 0.4 CD2 A:PHE20 4.4 9.5 0.4 HD22 A:LEU108 4.4 30.3 0.4 HD11 A:LEU42 4.5 19.2 0.6 HB2 A:LEU42 4.5 17.1 0.4 HD2 A:TYR46 4.5 8.6 0.4 CD2 A:TYR46 4.5 7.2 0.4 HG A:LEU108 4.5 26.7 0.4 HG A:LEU108 4.5 29.5 0.6 CG A:PHE20 4.5 14.1 0.6 HB1 A:ALA16 4.6 15.6 0.6 CZ A:PHE86 4.6 18.0 0.4 HB1 A:ALA16 4.6 16.6 0.4 CG A:TYR46 4.6 23.9 0.6 HD21 A:LEU42 4.6 17.7 0.4 CB A:PHE86 4.6 13.7 0.6 CD1 A:TYR46 4.6 26.9 0.6 HD23 A:LEU42 4.6 17.7 0.4 HD11 A:LEU108 4.6 14.3 0.4 CG A:LEU108 4.6 24.6 0.6 HB2 A:LEU42 4.7 17.2 0.6 CB A:PHE20 4.7 16.4 0.6 HE2 A:MET89 4.7 27.3 0.6 C1 A:Z82201 4.7 11.7 0.4 CG A:LEU108 4.7 22.3 0.4 HD12 A:LEU42 4.8 19.2 0.6 CZ A:PHE86 4.8 13.2 0.6 CB A:PHE86 4.8 15.5 0.4 HE1 A:MET89 4.8 23.4 0.4 HD11 A:LEU42 4.8 18.3 0.4 CE A:MET89 4.9 22.8 0.6 HD12 A:LEU42 4.9 18.3 0.4 CD1 A:LEU108 5.0 26.3 0.6 HE2 A:PHE20 5.0 15.9 0.4 CD2 A:PHE86 5.0 17.6 0.4

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