Magnesium in PDB 2v06: Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5

The structure of Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5, PDB code: 2v06 was solved by A.Wehenkel, M.Bellinzoni, F.Schaeffer, A.Villarino, P.M.Alzari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.718, 83.596, 33.638, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 18.8

The structure of Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5 (pdb code 2v06). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5, PDB code: 2v06:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5


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 the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1234 b:15.6 occ:1.00 OD1 A:ASP185 2.0 15.1 0.7 OD2 A:ASP35 2.1 15.1 1.0 O A:HOH2322 2.1 18.1 1.0 OD1 A:ASP185 2.1 16.8 0.3 OD2 A:ASP223 2.1 17.6 1.0 O A:HOH2381 2.1 15.4 1.0 O A:HOH2379 2.2 16.0 1.0 CG A:ASP185 3.0 18.3 0.3 CG A:ASP185 3.0 17.3 0.7 CG A:ASP223 3.0 16.6 1.0 CG A:ASP35 3.0 15.1 1.0 OD2 A:ASP185 3.2 23.4 0.3 OD1 A:ASP223 3.4 16.8 1.0 OD1 A:ASP35 3.4 14.9 1.0 OD2 A:ASP185 3.4 19.1 0.7 MG A:MG1235 3.8 15.6 1.0 O A:HOH2098 4.0 17.0 1.0 O A:HOH2048 4.1 24.7 1.0 O A:HOH2096 4.1 15.3 1.0 O A:HOH2217 4.2 20.0 1.0 O A:HOH2277 4.3 32.9 1.0 OD1 A:ASP22 4.3 16.2 1.0 N A:GLY186 4.3 16.6 1.0 O A:HOH2070 4.3 16.2 1.0 CB A:ASP185 4.4 17.3 0.7 CB A:ASP223 4.4 17.1 1.0 CB A:ASP35 4.4 14.5 1.0 CB A:ASP185 4.4 17.6 0.3 O A:ASN224 4.5 15.5 1.0 N A:ASP185 4.5 15.3 1.0 CB A:SER184 4.7 14.9 1.0 CA A:ASP185 4.8 16.4 0.7 CA A:ASP185 4.8 17.0 0.3 C A:ASP185 4.8 16.7 1.0 OG A:SER184 4.9 16.3 1.0 CA A:GLY186 5.0 16.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5


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 the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1235 b:15.6 occ:1.00 OD1 A:ASP35 2.0 14.9 1.0 O A:HOH2063 2.1 17.3 1.0 O A:HOH2098 2.1 17.0 1.0 O A:HOH2070 2.1 16.2 1.0 O A:GLY36 2.1 15.7 1.0 O A:HOH2379 2.2 16.0 1.0 CG A:ASP35 3.1 15.1 1.0 C A:GLY36 3.3 14.7 1.0 OD2 A:ASP35 3.7 15.1 1.0 MG A:MG1234 3.8 15.6 1.0 N A:GLY36 3.9 14.8 1.0 O A:HOH2097 3.9 17.1 1.0 C A:ASP35 4.1 14.2 1.0 O A:HOH2048 4.1 24.7 1.0 OD1 A:ASP22 4.1 16.2 1.0 O A:HOH2019 4.1 31.2 1.0 OE1 A:GLN21 4.2 22.9 1.0 CA A:GLY36 4.2 14.8 1.0 O A:HOH2322 4.2 18.1 1.0 N A:PHE37 4.2 15.8 1.0 CB A:GLN21 4.2 17.2 1.0 O A:HOH2381 4.3 15.4 1.0 O A:HOH2380 4.3 19.9 1.0 CB A:ASP35 4.4 14.5 1.0 CA A:PHE37 4.4 16.2 1.0 OD1 A:ASN224 4.4 15.7 1.0 O A:ASP35 4.4 14.5 1.0 OD1 A:ASP223 4.4 16.8 1.0 CA A:ASP35 4.5 14.4 1.0 CB A:PHE37 4.7 17.1 1.0 NH1 A:ARG17 4.8 25.0 1.0 O A:GLN21 4.8 15.9 1.0 C A:GLN21 4.8 14.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1237 b:25.5 occ:0.55 OE1 A:GLU67 4.1 23.5 0.4 O A:HOH2155 4.2 42.9 1.0 O A:HOH2146 4.3 29.0 1.0

A.Wehenkel, M.Bellinzoni, F.Schaeffer, A.Villarino, P.M.Alzari. Structural and Binding Studies of the Three-Metal Center in Two Mycobacterial Ppm Ser/Thr Protein Phosphatases. J.Mol.Biol. V. 374 890 2007.
ISSN: ISSN 0022-2836
PubMed: 17961594
DOI: 10.1016/J.JMB.2007.09.076