Chlorine in PDB 7hja: Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000156865

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000156865, PDB code: 7hja 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)	45.17 / 1.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.23, 47.164, 46.441, 90, 103.41, 90
R / Rfree (%)	25.7 / 33.3

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000156865 (pdb code 7hja). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000156865, PDB code: 7hja:

Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000156865


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000000156865 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:21.1 occ:0.94 CL4 A:174201 0.0 21.1 0.9 HH A:TYR46 0.9 25.7 0.1 OH A:TYR46 1.7 21.4 0.1 HE2 A:TYR46 1.7 20.2 0.1 C4 A:174201 1.7 12.9 0.9 CE2 A:TYR46 2.2 16.8 0.1 CZ A:TYR46 2.2 18.5 0.1 HD21 A:LEU108 2.6 28.2 0.1 C5 A:174201 2.7 17.7 0.9 C3 A:174201 2.7 23.9 0.9 HD22 A:LEU42 2.8 15.7 0.9 H5 A:174201 2.9 21.3 0.9 H3 A:174201 2.9 28.7 0.9 HD21 A:LEU108 2.9 22.9 0.9 HD13 A:LEU42 3.0 13.1 0.1 HD1 A:PHE20 3.0 19.4 0.1 HD1 A:PHE86 3.0 24.6 0.1 HD22 A:LEU42 3.1 15.6 0.1 HD1 A:PHE86 3.1 24.1 0.9 HD13 A:LEU42 3.3 11.5 0.9 HB3 A:LEU42 3.3 17.7 0.9 HD1 A:PHE20 3.3 17.9 0.9 HB3 A:LEU42 3.4 17.3 0.1 CD1 A:PHE86 3.4 20.5 0.1 CD1 A:PHE86 3.5 20.1 0.9 HE2 A:TYR46 3.5 26.0 0.9 CD2 A:TYR46 3.5 19.4 0.1 CD2 A:LEU108 3.5 23.5 0.1 CE1 A:TYR46 3.6 25.1 0.1 HE1 A:PHE86 3.6 26.9 0.1 HE1 A:PHE86 3.6 26.5 0.9 CE1 A:PHE86 3.7 22.5 0.1 CD2 A:LEU42 3.7 13.1 0.9 CD1 A:PHE20 3.8 16.2 0.1 CE1 A:PHE86 3.8 22.1 0.9 HD23 A:LEU108 3.8 28.2 0.1 HB2 A:PHE20 3.8 19.2 0.1 HD22 A:LEU108 3.8 28.2 0.1 CD2 A:LEU108 3.9 19.0 0.9 CD1 A:LEU42 3.9 10.9 0.1 HB2 A:PHE20 3.9 18.8 0.9 CE2 A:TYR46 3.9 21.7 0.9 CD2 A:LEU42 3.9 13.0 0.1 HD2 A:TYR46 4.0 23.3 0.1 CD1 A:PHE20 4.0 15.0 0.9 HD23 A:LEU108 4.0 22.9 0.9 HE1 A:TYR46 4.0 30.1 0.1 C2 A:174201 4.0 23.7 0.9 C6 A:174201 4.0 15.1 0.9 HB2 A:PHE86 4.1 17.3 0.1 CD1 A:LEU42 4.1 9.6 0.9 CB A:LEU42 4.1 14.8 0.9 CG A:LEU42 4.2 9.3 0.9 CB A:LEU42 4.2 14.4 0.1 CG A:LEU42 4.2 10.2 0.1 HB2 A:PHE86 4.2 16.9 0.9 HD23 A:LEU42 4.2 15.7 0.9 HD21 A:LEU42 4.2 15.7 0.9 CG A:PHE86 4.3 19.6 0.1 HE1 A:PHE20 4.3 20.0 0.1 HH A:TYR46 4.3 32.8 0.9 HD21 A:LEU42 4.3 15.6 0.1 HD11 A:LEU42 4.3 13.1 0.1 CG A:PHE86 4.3 20.1 0.9 HE1 A:MET89 4.4 32.9 0.9 HE1 A:MET89 4.4 31.3 0.1 HD22 A:LEU108 4.4 22.9 0.9 CE1 A:PHE20 4.4 16.7 0.1 HD11 A:LEU108 4.5 34.2 0.9 HD11 A:LEU108 4.5 40.1 0.1 HB1 A:ALA16 4.5 24.5 0.1 CD2 A:TYR46 4.5 14.2 0.9 HD2 A:TYR46 4.5 17.1 0.9 HD12 A:LEU42 4.5 13.1 0.1 CZ A:TYR46 4.5 19.5 0.9 HB1 A:ALA16 4.5 27.7 0.9 CD1 A:TYR46 4.5 22.0 0.1 CG A:TYR46 4.5 20.5 0.1 HD11 A:LEU42 4.5 11.5 0.9 HE1 A:PHE20 4.5 18.0 0.9 HB2 A:LEU42 4.6 17.3 0.1 CG A:PHE20 4.6 16.2 0.1 HB2 A:LEU42 4.6 17.7 0.9 C1 A:174201 4.6 69.9 0.9 HG A:LEU108 4.6 19.4 0.9 HG A:LEU108 4.6 30.6 0.1 HD23 A:LEU42 4.6 15.6 0.1 CB A:PHE20 4.6 16.0 0.1 OH A:TYR46 4.6 27.3 0.9 CG A:LEU108 4.6 25.5 0.1 CE1 A:PHE20 4.7 15.0 0.9 CZ A:PHE86 4.7 21.0 0.1 CG A:PHE20 4.7 15.8 0.9 CB A:PHE20 4.7 15.7 0.9 CB A:PHE86 4.7 14.4 0.1 CZ A:PHE86 4.8 21.6 0.9 CG A:LEU108 4.8 16.1 0.9 HD12 A:LEU42 4.8 11.5 0.9 HE2 A:MET89 4.8 31.3 0.1 CB A:PHE86 4.8 14.1 0.9 H2 A:174201 4.9 28.5 0.9 H6 A:174201 4.9 18.1 0.9 HE2 A:MET89 4.9 32.9 0.9

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