Chlorine in PDB 7hre: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57607000

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57607000:
3.1.2.14;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57607000, PDB code: 7hre 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)	34.98 / 2.23
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.9, 98.96, 128.88, 90, 90, 90
R / Rfree (%)	34.1 / 36.8

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57607000 (pdb code 7hre). 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 Z57607000, PDB code: 7hre:
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 Z57607000


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 Z57607000 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:61.3 occ:0.62 CL1 A:2D0401 0.0 61.3 0.6 C3 A:2D0401 1.7 60.8 0.6 C1 A:2D0401 2.7 60.5 0.6 C5 A:2D0401 2.7 60.4 0.6 N7 A:2D0401 3.0 60.5 0.6 CB A:ALA129 3.1 68.2 1.0 CD2 A:PHE123 3.3 74.2 1.0 CB A:ALA118 3.4 58.0 1.0 CA A:ALA118 3.6 58.1 1.0 NH1 A:ARG176 3.7 64.7 1.0 CE2 A:PHE123 3.7 74.9 1.0 O3 A:SO4402 3.9 108.7 1.0 C2 A:2D0401 4.0 60.4 0.6 C6 A:2D0401 4.0 60.3 0.6 C8 A:2D0401 4.3 60.5 0.6 N A:ALA118 4.4 57.1 1.0 CG A:PHE123 4.4 73.2 1.0 CA A:ALA129 4.5 68.0 1.0 O2 A:SO4402 4.5 108.6 1.0 C4 A:2D0401 4.5 60.3 0.6 O A:HOH548 4.7 45.2 1.0 S A:SO4402 4.7 108.6 1.0 CB A:PHE123 4.8 72.2 1.0 C A:ALA118 4.9 59.2 1.0 CG2 A:VAL121 4.9 67.3 1.0 CZ A:ARG176 5.0 64.3 1.0 O A:ALA129 5.0 68.0 1.0 CZ A:PHE123 5.0 74.7 1.0

Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57607000


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 Z57607000 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:53.4 occ:0.57 CL1 B:2D0401 0.0 53.4 0.6 C3 B:2D0401 1.7 53.0 0.6 C1 B:2D0401 2.7 52.9 0.6 C5 B:2D0401 2.7 52.7 0.6 N7 B:2D0401 3.1 53.0 0.6 NH1 B:ARG176 3.2 44.8 1.0 O2 B:SO4402 3.4 62.3 0.6 CB B:ALA118 3.4 58.4 1.0 CA B:ALA118 3.7 58.2 1.0 CD2 B:PHE123 3.9 63.2 0.6 C2 B:2D0401 4.0 52.9 0.6 C6 B:2D0401 4.0 52.6 0.6 CE2 B:PHE123 4.1 63.9 0.6 N B:ALA118 4.3 57.1 1.0 C8 B:2D0401 4.4 53.0 0.6 CZ B:ARG176 4.5 47.2 1.0 C4 B:2D0401 4.5 52.7 0.6 S B:SO4402 4.6 62.2 0.6 O1 B:SO4402 4.6 62.1 0.6 O B:GLY114 4.7 56.4 1.0 OG1 B:THR131 4.8 54.0 0.6 SG B:CYS166 4.8 59.9 1.0 C B:HIS117 5.0 56.6 1.0 CG B:PHE123 5.0 62.6 0.6

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.