Chlorine in PDB 4miv: Crystal Structure of Sulfamidase, Crystal Form L

All present enzymatic activity of Crystal Structure of Sulfamidase, Crystal Form L:
3.10.1.1;

The structure of Crystal Structure of Sulfamidase, Crystal Form L, PDB code: 4miv was solved by N.S.Sidhu, I.Uson, K.Schreiber, K.Proepper, S.Becker, G.M.Sheldrick, J.Gaertner, R.Kraetzner, R.Steinfeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.85 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	102.930, 211.450, 108.350, 90.00, 102.69, 90.00
R / Rfree (%)	21.6 / 24.5

The structure of Crystal Structure of Sulfamidase, Crystal Form L also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Sulfamidase, Crystal Form L (pdb code 4miv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Sulfamidase, Crystal Form L, PDB code: 4miv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Sulfamidase, Crystal Form L


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Sulfamidase, Crystal Form L within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:43.7 occ:1.00 O B:HOH743 2.9 30.7 1.0 O A:HOH747 3.0 36.9 1.0 NE2 A:HIS97 3.3 28.8 1.0 N B:ASP102 3.4 36.2 1.0 CD2 A:HIS97 3.6 29.6 1.0 CA B:PHE101 3.8 31.0 1.0 CB B:PHE101 3.9 30.3 1.0 CD1 B:PHE101 3.9 30.9 1.0 O B:HOH723 4.0 27.3 1.0 C B:PHE101 4.1 31.4 1.0 CB B:ASP102 4.1 40.5 1.0 CG B:ASP102 4.2 46.3 1.0 CE1 A:HIS97 4.3 29.6 1.0 CA B:ASP102 4.3 39.2 1.0 CG B:PHE101 4.4 29.9 1.0 OD1 B:ASP102 4.5 42.9 1.0 OD2 B:ASP102 4.5 46.7 1.0 CG A:HIS97 4.6 29.4 1.0 O B:HOH812 4.8 47.4 1.0 CZ B:PHE336 4.9 40.5 1.0 CE1 B:PHE336 4.9 41.3 1.0 ND1 A:HIS97 4.9 28.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Sulfamidase, Crystal Form L


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Sulfamidase, Crystal Form L within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl609 b:65.0 occ:1.00 NZ C:LYS393 2.8 69.7 1.0 O D:HOH784 3.3 34.6 1.0 NH2 D:ARG428 3.7 66.6 1.0 CE C:LYS393 3.7 50.1 1.0 CE1 D:TYR432 3.8 33.8 1.0 CD C:LYS393 4.2 44.1 1.0 CD1 D:TYR432 4.2 29.0 1.0 CZ D:TYR432 4.2 31.2 1.0 OH D:TYR432 4.6 33.0 1.0 CZ D:ARG428 4.7 76.9 1.0 CG D:TYR432 4.8 30.4 1.0 CE2 D:TYR432 4.8 30.9 1.0 NH1 D:ARG428 5.0 58.1 1.0

N.S.Sidhu, K.Schreiber, K.Proepper, S.Becker, I.Uson, G.M.Sheldrick, J.Gaertner, R.Kraetzner, R.Steinfeld. Structure of Sulfamidase Provides Insight Into the Molecular Pathology of Mucopolysaccharidosis Iiia Acta Crystallogr.,Sect.D V. D70 1321.
ISSN: ISSN 0907-4449