Chlorine in PDB 7hsy: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z275165822

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z275165822:
3.1.2.14;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z275165822, PDB code: 7hsy 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)	78.81 / 1.88
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.12, 99.19, 129.8, 90, 90, 90
R / Rfree (%)	24.9 / 27.5

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z275165822 (pdb code 7hsy). 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 Z275165822, PDB code: 7hsy:
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 Z275165822


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 Z275165822 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:42.5 occ:0.78 CL1 A:WNY401 0.0 42.5 0.8 C13 A:WNY401 1.7 40.8 0.8 C15 A:WNY401 2.7 40.4 0.8 C12 A:WNY401 2.7 40.3 0.8 CB A:SER168 3.5 28.1 0.8 CB A:TYR217 3.6 26.6 0.8 CD2 A:LEU218 3.7 35.1 1.0 O A:ARG214 3.9 38.7 1.0 C16 A:WNY401 4.0 40.3 0.8 C11 A:WNY401 4.0 40.3 0.8 OG A:SER168 4.0 30.3 0.8 CG A:LEU218 4.1 34.5 1.0 CG A:ARG214 4.2 47.1 1.0 N A:LEU218 4.2 29.1 1.0 CA A:SER168 4.3 27.2 0.8 O A:HOH517 4.4 46.5 0.8 CG A:TYR217 4.5 26.3 0.8 C A:TYR217 4.5 27.6 0.8 C10 A:WNY401 4.5 40.3 0.8 CA A:ARG214 4.6 40.9 1.0 CA A:TYR217 4.6 27.4 0.8 C A:ARG214 4.7 39.3 1.0 N A:SER168 4.7 26.9 0.8 CA A:LEU218 4.7 30.6 1.0 CG2 A:THR174 4.7 30.5 1.0 CB A:ARG214 4.8 43.0 1.0 SG A:CYS221 4.8 33.5 1.0 CB A:LEU218 5.0 31.7 1.0

Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z275165822


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 Z275165822 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:43.4 occ:0.84 CL1 B:WNY401 0.0 43.4 0.8 C13 B:WNY401 1.7 42.3 0.8 C12 B:WNY401 2.7 41.9 0.8 C15 B:WNY401 2.7 42.0 0.8 CB B:SER168 3.5 30.5 0.8 CB B:TYR217 3.5 28.0 0.8 CD2 B:LEU218 3.7 36.0 1.0 O B:ARG214 3.9 32.9 0.8 C16 B:WNY401 4.0 42.0 0.8 C11 B:WNY401 4.0 42.1 0.8 CG B:ARG214 4.0 40.7 0.8 CG B:LEU218 4.1 35.3 1.0 OG B:SER168 4.1 34.0 0.8 N B:LEU218 4.2 30.1 1.0 CA B:SER168 4.4 28.6 0.8 CG B:TYR217 4.5 27.9 0.8 C B:TYR217 4.5 29.2 0.8 CA B:ARG214 4.5 35.2 0.8 C10 B:WNY401 4.5 42.2 0.8 C B:ARG214 4.6 34.0 0.8 CA B:TYR217 4.6 28.9 0.8 CA B:LEU218 4.7 31.3 1.0 CG2 B:THR174 4.7 27.9 0.8 CB B:ARG214 4.7 37.3 0.8 N B:SER168 4.8 27.9 0.8 SG B:CYS221 4.9 32.2 1.0 CB B:LEU218 5.0 32.5 1.0

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.