Chlorine in PDB 7hu9: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136:
3.1.2.14;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136, PDB code: 7hu9 was solved by E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.94 / 1.68
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.393, 99.428, 128.685, 90, 90, 90
R / Rfree (%)	26.1 / 29

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136 (pdb code 7hu9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136, PDB code: 7hu9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136


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 Fata in Complex with Z952016136 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:31.7 occ:0.45 CL1 A:KBU501 0.0 31.7 0.5 C1 A:KBU501 1.7 30.0 0.5 C2 A:KBU501 2.7 29.0 0.5 C7 A:KBU501 2.7 29.8 0.5 CB A:ALA118 2.9 28.8 1.0 CA A:ALA118 3.3 28.7 1.0 N2 A:KBU501 3.3 29.9 0.5 NH1 A:ARG176 3.5 28.9 1.0 CD2 A:PHE123 3.6 49.9 1.0 CB A:ALA129 3.6 32.6 0.5 N A:ALA118 3.9 27.3 1.0 O4 A:SO4502 3.9 41.2 0.5 C3 A:KBU501 4.0 28.7 0.5 CE2 A:PHE123 4.0 50.5 1.0 C5 A:KBU501 4.0 29.4 0.5 C4 A:KBU501 4.5 29.0 0.5 CA A:ALA129 4.5 32.2 0.5 C6 A:KBU501 4.6 29.9 0.5 CG A:PHE123 4.6 49.0 1.0 C A:ALA118 4.6 29.5 1.0 O3 A:SO4502 4.8 41.7 0.5 C A:HIS117 4.8 27.3 1.0 CZ A:ARG176 4.8 29.2 1.0 S A:SO4502 4.8 41.5 0.5 O A:GLY114 4.8 23.4 1.0 CB A:PHE123 4.9 48.1 1.0 O A:ALA118 5.0 30.0 1.0 N1 A:KBU501 5.0 29.6 0.5

Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z952016136 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:41.0 occ:0.66 CL1 B:KBU401 0.0 41.0 0.7 C1 B:KBU401 1.7 39.2 0.7 C2 B:KBU401 2.7 38.0 0.7 C7 B:KBU401 2.7 38.8 0.7 CB B:ALA118 3.0 29.7 1.0 N2 B:KBU401 3.3 38.7 0.7 CA B:ALA118 3.4 29.7 1.0 O2 B:SO4402 3.4 61.4 0.7 NH1 B:ARG176 3.5 26.4 1.0 CD2 B:PHE123 3.5 44.3 0.7 CE2 B:PHE123 3.9 44.7 0.7 C3 B:KBU401 4.0 37.9 0.7 N B:ALA118 4.0 27.7 1.0 C5 B:KBU401 4.0 38.2 0.7 CB B:ALA129 4.3 39.2 0.7 C4 B:KBU401 4.5 38.0 0.7 C6 B:KBU401 4.5 38.5 0.7 CG B:PHE123 4.6 43.6 0.7 C B:ALA118 4.7 30.6 1.0 S B:SO4402 4.8 61.2 0.7 CZ B:ARG176 4.8 28.1 1.0 C B:HIS117 4.9 27.4 1.0 CB B:PHE123 4.9 43.3 0.7 O B:GLY114 4.9 25.3 1.0 N1 B:KBU401 5.0 38.4 0.7

E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Von Delft. Pandda Analysis Group Deposition To Be Published.