Magnesium in PDB 1e3c: Crystal Structure of An Arylsulfatase A Mutant C69S Soaked in Synthetic Substrate

All present enzymatic activity of Crystal Structure of An Arylsulfatase A Mutant C69S Soaked in Synthetic Substrate:
3.1.6.8;

The structure of Crystal Structure of An Arylsulfatase A Mutant C69S Soaked in Synthetic Substrate, PDB code: 1e3c was solved by R.Von Buelow, B.Schmidt, T.Dierks, K.Von Figura, I.Uson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.65
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	131.800, 131.800, 192.100, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 24.3

The binding sites of Magnesium atom in the Crystal Structure of An Arylsulfatase A Mutant C69S Soaked in Synthetic Substrate (pdb code 1e3c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of An Arylsulfatase A Mutant C69S Soaked in Synthetic Substrate, PDB code: 1e3c:

Magnesium binding site 1 out of 1 in the Crystal Structure of An Arylsulfatase A Mutant C69S Soaked in Synthetic Substrate


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 An Arylsulfatase A Mutant C69S Soaked in Synthetic Substrate within 5.0Å range: probe atom residue distance (Å) B Occ P:Mg603 b:48.2 occ:1.00 OD2 P:ASP281 2.4 28.2 1.0 OD1 P:ASP29 2.6 33.3 1.0 OD1 P:ASP30 2.6 18.8 1.0 OD1 P:ASN282 2.8 20.5 1.0 OD1 P:ASP281 3.0 19.9 1.0 CG P:ASP281 3.0 23.3 1.0 CB P:SER69 3.4 27.8 1.0 ND2 P:ASN282 3.5 16.1 1.0 CG P:ASN282 3.5 22.1 1.0 CG P:ASP30 3.7 16.2 1.0 CA P:SER69 3.8 28.3 1.0 N P:ASP30 3.8 21.0 1.0 CG P:ASP29 3.8 30.5 1.0 N P:SER69 3.9 29.1 1.0 OG P:SER69 4.1 36.0 1.0 NZ P:LYS302 4.3 23.5 1.0 OD2 P:ASP30 4.3 20.3 1.0 CD2 P:HIS229 4.4 22.9 1.0 CB P:ASP281 4.4 20.2 1.0 OD2 P:ASP29 4.5 34.5 1.0 CA P:ASP30 4.5 24.8 1.0 CE P:LYS302 4.6 24.6 1.0 C P:LEU68 4.6 28.6 1.0 NH2 P:ARG73 4.6 31.5 1.0 C P:ASP29 4.6 26.4 1.0 CA P:ASP29 4.7 28.6 1.0 NZ P:LYS123 4.7 29.6 1.0 CB P:ASP30 4.7 19.6 1.0 CB P:ASP29 4.9 30.8 1.0 CB P:ASN282 5.0 23.2 1.0

R.Von Bulow, B.Schmidt, T.Dierks, K.Von Figura, I.Uson. Crystal Structure of An Enzyme-Substrate Complex Provides Insight Into the Interaction Between Human Arylsulfatase A and Its Substrates During Catalysis. J. Mol. Biol. V. 305 269 2001.
ISSN: ISSN 0022-2836
PubMed: 11124905
DOI: 10.1006/JMBI.2000.4297