Chlorine in PDB 7hqt: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z104503564

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z104503564:
3.1.2.14;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z104503564, PDB code: 7hqt 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)	15.72 / 1.58
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.035, 99.065, 127.641, 90, 90, 90
R / Rfree (%)	23.1 / 25.2

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z104503564 (pdb code 7hqt). 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 Z104503564, PDB code: 7hqt:
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 Z104503564


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 Z104503564 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:35.4 occ:0.60 CL3 A:CHB401 0.0 35.4 0.6 C3 A:CHB401 1.7 35.1 0.6 C2 A:CHB401 2.7 35.0 0.6 C4 A:CHB401 2.7 34.2 0.6 O4 A:CHB401 2.9 33.5 0.6 O A:HOH557 3.3 33.4 0.6 O A:HOH674 3.3 38.8 0.6 CG2 A:VAL285 3.7 36.0 1.0 NH1 B:ARG258 3.7 37.7 1.0 CD B:ARG258 3.9 35.5 1.0 C5 A:CHB401 4.0 34.0 0.6 C1 A:CHB401 4.0 34.7 0.6 CB A:LEU277 4.0 26.6 1.0 CH2 A:TRP356 4.1 27.2 1.0 CG1 A:VAL285 4.4 36.7 1.0 CZ B:ARG258 4.4 38.9 1.0 O A:LEU277 4.5 25.1 1.0 C6 A:CHB401 4.5 34.1 0.6 CD1 A:LEU277 4.5 29.4 1.0 NE B:ARG258 4.5 37.6 1.0 O A:HOH629 4.5 28.2 0.6 CG A:LEU277 4.6 28.3 1.0 CB A:VAL285 4.7 36.1 1.0 CD2 A:LEU277 4.8 29.7 1.0 CZ2 A:TRP356 4.8 27.5 1.0 C A:LEU277 4.9 25.3 1.0 CZ3 A:TRP356 5.0 27.8 1.0 CA A:LEU277 5.0 25.6 1.0 CG B:ARG258 5.0 32.1 1.0 O A:HOH509 5.0 40.5 1.0

Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z104503564


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 Z104503564 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:40.1 occ:0.73 CL3 B:CHB401 0.0 40.1 0.7 C3 B:CHB401 1.7 39.5 0.7 C2 B:CHB401 2.7 39.1 0.7 C4 B:CHB401 2.7 38.5 0.7 O4 B:CHB401 2.9 37.8 0.7 O B:HOH676 3.2 50.3 0.7 O B:HOH556 3.3 42.0 0.7 CG2 B:VAL285 3.6 35.9 1.0 NH1 A:ARG258 3.7 37.6 1.0 CD A:ARG258 4.0 34.9 1.0 C1 B:CHB401 4.0 38.8 0.7 C5 B:CHB401 4.0 38.2 0.7 CH2 B:TRP356 4.0 28.1 1.0 CB B:LEU277 4.0 26.7 1.0 CG1 B:VAL285 4.4 36.9 1.0 C6 B:CHB401 4.5 38.4 0.7 O B:LEU277 4.5 25.7 1.0 CD1 B:LEU277 4.5 29.1 1.0 CZ A:ARG258 4.5 39.0 1.0 O B:HOH625 4.5 42.2 1.0 NE A:ARG258 4.6 37.2 1.0 CG B:LEU277 4.6 28.0 1.0 CB B:VAL285 4.6 35.9 1.0 CD2 B:LEU277 4.7 28.8 1.0 CZ2 B:TRP356 4.8 28.1 1.0 CZ3 B:TRP356 4.9 28.8 1.0 C B:LEU277 4.9 25.6 1.0 CA B:LEU277 5.0 25.9 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.