Magnesium in PDB 4mhx: Crystal Structure of Sulfamidase

All present enzymatic activity of Crystal Structure of Sulfamidase:
3.10.1.1;

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

Resolution Low / High (Å)	44.30 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.380, 107.900, 79.790, 90.00, 104.07, 90.00
R / Rfree (%)	19.2 / 23

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

Calcium

(Ca)

2 atoms

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

Magnesium binding site 1 out of 2 in the Crystal Structure of Sulfamidase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Sulfamidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg608 b:72.2 occ:1.00 O B:ARG169 2.1 57.1 1.0 NE2 B:GLN166 2.2 71.1 1.0 O B:PRO170 2.3 50.3 1.0 C B:PRO170 2.5 51.9 1.0 C B:ARG169 2.8 57.5 1.0 N B:PHE171 3.0 50.6 1.0 CD B:GLN166 3.2 67.8 1.0 CB B:PHE171 3.3 48.0 1.0 CA B:PHE171 3.3 48.0 1.0 CA B:PRO170 3.4 52.4 1.0 N B:PRO170 3.4 54.3 1.0 CB B:ARG169 3.5 60.4 1.0 CB B:ARG117 3.5 47.1 1.0 CA B:ARG169 3.7 60.9 1.0 OE1 B:GLN166 3.9 67.4 1.0 CG B:GLN166 4.2 66.4 1.0 N B:ARG117 4.2 46.2 1.0 CD2 B:PHE171 4.2 49.3 1.0 CG B:PHE171 4.2 49.1 1.0 N B:ARG169 4.3 66.8 1.0 CD B:ARG117 4.4 50.0 1.0 OD1 B:ASP167 4.5 85.2 1.0 CA B:ARG117 4.5 45.8 1.0 CG B:ARG117 4.6 47.5 1.0 CD B:PRO170 4.7 53.6 1.0 O B:ARG117 4.7 43.0 1.0 CB B:PRO170 4.7 51.8 1.0 OD1 B:ASN24 4.8 48.9 1.0 C B:PHE171 4.8 46.4 1.0 CB B:GLN166 4.9 68.3 1.0 CG B:ARG169 5.0 62.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Sulfamidase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Sulfamidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg609 b:53.4 occ:1.00 OG1 B:THR421 2.1 32.9 1.0 O B:LYS425 2.9 39.5 1.0 O B:HOH743 3.0 28.6 1.0 CB B:THR421 3.1 35.2 1.0 CG2 B:THR421 3.2 35.1 1.0 CA B:ASP426 3.8 42.6 1.0 CB B:TRP423 3.8 34.8 1.0 C B:LYS425 3.9 38.0 1.0 CB B:ASP426 4.0 48.1 1.0 O B:TRP423 4.2 39.4 1.0 CE3 B:TRP423 4.2 34.6 1.0 N B:ASP426 4.3 41.0 1.0 CD1 B:LEU411 4.4 36.6 1.0 CA B:THR421 4.4 36.2 1.0 N B:TRP423 4.5 36.1 1.0 CA B:TRP423 4.6 36.2 1.0 OG1 B:THR415 4.6 38.7 1.0 N B:THR421 4.7 38.7 1.0 C B:TRP423 4.7 38.2 1.0 CG B:TRP423 4.8 34.6 1.0 CD2 B:TRP423 4.8 34.7 1.0 C B:ASP426 4.9 37.2 1.0 N B:LEU427 4.9 38.6 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