Magnesium in PDB 3l0y: Crystal Structure of SCP1 Phosphatase D98A Mutant

All present enzymatic activity of Crystal Structure of SCP1 Phosphatase D98A Mutant:
3.1.3.16;

The structure of Crystal Structure of SCP1 Phosphatase D98A Mutant, PDB code: 3l0y was solved by M.Zhang, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.98 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.791, 78.979, 62.939, 90.00, 112.79, 90.00
R / Rfree (%)	19.2 / 23.1

The binding sites of Magnesium atom in the Crystal Structure of SCP1 Phosphatase D98A Mutant (pdb code 3l0y). 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 SCP1 Phosphatase D98A Mutant, PDB code: 3l0y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SCP1 Phosphatase D98A Mutant


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 SCP1 Phosphatase D98A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg257 b:24.0 occ:1.00 O A:HOH260 1.9 14.4 1.0 OD1 A:ASN207 2.0 20.6 1.0 OD2 A:ASP96 2.1 20.1 1.0 O A:ALA98 2.1 18.5 1.0 O A:HOH259 2.2 21.9 1.0 O A:HOH258 2.2 18.4 1.0 CG A:ASN207 3.1 21.1 1.0 CG A:ASP96 3.1 19.9 1.0 C A:ALA98 3.3 18.2 1.0 OD1 A:ASP96 3.5 19.8 1.0 ND2 A:ASN207 3.5 20.6 1.0 OG1 A:THR100 3.9 18.8 1.0 OD1 A:ASP206 4.0 23.8 1.0 OG A:SER208 4.1 23.6 1.0 O A:HOH261 4.1 24.9 1.0 CB A:GLU99 4.2 18.8 1.0 CA A:ALA98 4.2 18.2 1.0 N A:GLU99 4.3 18.2 1.0 OE1 A:GLU99 4.3 21.4 1.0 N A:ALA98 4.4 18.4 1.0 CB A:ALA98 4.4 18.3 1.0 CB A:ASN207 4.4 20.4 1.0 N A:THR100 4.4 18.5 1.0 CB A:ASP96 4.5 19.8 1.0 CA A:GLU99 4.5 18.7 1.0 N A:ASN207 4.6 21.3 1.0 C A:GLU99 4.6 18.4 1.0 O A:HOH349 4.7 30.6 1.0 CG A:ASP206 4.8 20.8 1.0 CB A:THR100 4.8 19.1 1.0 N A:SER208 4.9 21.6 1.0 C A:LEU97 4.9 18.8 1.0 CA A:ASN207 5.0 21.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SCP1 Phosphatase D98A Mutant


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 SCP1 Phosphatase D98A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg257 b:22.7 occ:1.00 OD1 B:ASN207 2.1 24.5 1.0 O B:ALA98 2.1 24.3 1.0 O B:HOH258 2.1 17.5 1.0 OD2 B:ASP96 2.1 26.1 1.0 O B:HOH260 2.1 22.3 1.0 O B:HOH259 2.3 25.6 1.0 CG B:ASP96 3.1 24.9 1.0 O B:HOH297 3.1 70.2 1.0 CG B:ASN207 3.2 26.9 1.0 C B:ALA98 3.3 24.1 1.0 OD1 B:ASP96 3.4 24.1 1.0 ND2 B:ASN207 3.7 25.3 1.0 OD1 B:ASP206 3.9 29.9 1.0 O B:HOH300 3.9 22.5 1.0 CA B:ALA98 4.0 23.9 1.0 OG1 B:THR100 4.0 23.4 1.0 CB B:ALA98 4.1 24.4 1.0 O B:HOH299 4.2 29.6 1.0 N B:ALA98 4.2 23.2 1.0 OE1 B:GLU99 4.2 23.8 1.0 N B:GLU99 4.3 24.0 1.0 CB B:GLU99 4.3 24.8 1.0 CB B:ASP96 4.4 24.8 1.0 CB B:ASN207 4.4 27.4 1.0 N B:ASN207 4.7 27.8 1.0 CA B:GLU99 4.7 24.5 1.0 N B:THR100 4.7 24.0 1.0 O B:HOH271 4.8 16.6 1.0 C B:LEU97 4.8 23.1 1.0 C B:GLU99 4.8 24.6 1.0 CG B:ASP206 4.9 27.3 1.0 O B:HOH261 5.0 29.1 1.0

M.Zhang, J.Liu, Y.Kim, J.E.Dixon, S.L.Pfaff, G.N.Gill, J.P.Noel, Y.Zhang. Structural and Functional Analysis of the Phosphoryl Transfer Reaction Mediated By the Human Small C-Terminal Domain Phosphatase, SCP1. Protein Sci. V. 19 974 2010.
ISSN: ISSN 0961-8368
PubMed: 20222012
DOI: 10.1002/PRO.375