Magnesium in PDB 3zwk: The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate

All present enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate:
3.1.3.70;

The structure of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate, PDB code: 3zwk was solved by S.Goncalves, A.M.Esteves, H.Santos, N.Borges, P.M.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.276 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.968, 71.364, 92.974, 90.00, 95.46, 90.00
R / Rfree (%)	15.55 / 21.08

The structure of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate also contains other interesting chemical elements:

Vanadium

(V)

1 atom

The binding sites of Magnesium atom in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate (pdb code 3zwk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate, PDB code: 3zwk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg260 b:45.2 occ:1.00 OD2 A:ASP6 2.4 58.7 1.0 O A:ASP8 2.6 38.7 1.0 OD1 A:ASP202 2.6 47.0 1.0 O A:HOH2007 2.7 43.8 1.0 CG A:ASP6 3.2 49.4 1.0 OD1 A:ASP6 3.2 44.4 1.0 CG A:ASP202 3.6 56.7 1.0 C A:ASP8 3.7 44.5 1.0 OD2 A:ASP202 4.0 58.5 1.0 CA A:ASP8 4.4 47.9 1.0 CB A:ASP8 4.4 57.5 1.0 N A:ASP8 4.5 35.8 1.0 O A:HOH2006 4.5 24.8 1.0 CB A:ASP6 4.6 28.7 1.0 OD2 A:ASP206 4.6 36.0 1.0 N A:GLY9 4.8 44.2 1.0 CB A:ASP202 4.8 50.7 1.0 CB A:SER203 4.9 40.3 1.0 CA A:GLY9 5.0 46.9 1.0

Magnesium binding site 2 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Metavanadate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg260 b:33.2 occ:1.00 OD2 B:ASP6 2.4 63.8 1.0 O B:ASP8 2.4 51.2 1.0 OD1 B:ASP202 2.5 50.9 1.0 O B:HOH2005 2.6 57.1 1.0 O B:HOH2003 2.6 37.0 1.0 O3 B:VN3261 2.6 35.1 0.6 V B:VN3261 3.1 55.0 0.6 CG B:ASP6 3.1 53.8 1.0 OD1 B:ASP6 3.3 50.6 1.0 CG B:ASP202 3.4 55.4 1.0 C B:ASP8 3.5 45.6 1.0 OD2 B:ASP202 3.5 60.0 1.0 O B:HOH2133 3.9 50.2 1.0 CB B:ASP8 4.1 57.8 1.0 O1 B:VN3261 4.1 22.4 0.6 CA B:ASP8 4.1 45.6 1.0 OG B:SER203 4.2 44.1 1.0 N B:ASP8 4.2 35.8 1.0 O B:HOH2170 4.3 54.6 0.8 O B:GLY165 4.3 46.0 1.0 OD2 B:ASP206 4.3 38.4 1.0 O2 B:VN3261 4.4 28.3 0.6 CB B:ASP6 4.4 39.7 1.0 N B:GLY9 4.6 40.1 1.0 CB B:SER203 4.7 46.7 1.0 OG1 B:THR10 4.7 53.5 1.0 CB B:ASP202 4.7 45.7 1.0 CA B:GLY9 4.8 46.5 1.0 C B:LEU7 4.9 40.0 1.0

S.Goncalves, A.M.Esteves, H.Santos, N.Borges, P.M.Matias. The Three-Dimensional Structure of Mannosyl-3- Phosphoglycerate Phosphatase From Thermus Thermophilus HB27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily. Biochemistry V. 50 9551 2011.
ISSN: ISSN 0006-2960
PubMed: 21961705
DOI: 10.1021/BI201171H