Magnesium in PDB 2y8a: Vim-7 with Oxidised. Structural and Computational Investigations of Vim-7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases

The structure of Vim-7 with Oxidised. Structural and Computational Investigations of Vim-7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases, PDB code: 2y8a was solved by P.Saradhi, H.-K.S.Leiros, R.Ahmad, J.Spencer, I.Leiros, T.R.Walsh, A.Sundsfjord, O.Samuelsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.33
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	70.138, 70.138, 47.529, 90.00, 90.00, 90.00
R / Rfree (%)	18.673 / 25.405

The structure of Vim-7 with Oxidised. Structural and Computational Investigations of Vim-7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Vim-7 with Oxidised. Structural and Computational Investigations of Vim-7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases (pdb code 2y8a). 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 Vim-7 with Oxidised. Structural and Computational Investigations of Vim-7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases, PDB code: 2y8a:

Magnesium binding site 1 out of 1 in the Vim-7 with Oxidised. Structural and Computational Investigations of Vim-7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Vim-7 with Oxidised. Structural and Computational Investigations of Vim-7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1294 b:12.4 occ:1.00 O A:HOH2040 1.8 20.9 1.0 O A:HOH2034 2.3 26.0 1.0 OD1 A:ASN165 2.4 17.5 1.0 OD2 A:ASP119 2.5 23.1 1.0 O A:HOH2033 2.5 31.6 1.0 OD1 A:ASP119 2.8 22.8 1.0 CG A:ASP119 3.0 20.9 1.0 CG A:ASN165 3.3 17.8 1.0 ND2 A:ASN165 3.8 17.7 1.0 O A:HOH2031 4.3 18.9 1.0 CB A:ASP119 4.5 19.3 1.0 O A:ALA149 4.5 21.5 1.0 CB A:ASN165 4.5 17.1 1.0 O A:HOH2032 4.6 16.5 1.0 CA A:ASN165 4.8 17.0 1.0 O A:GLY150 4.9 22.7 1.0

P.Saradhi, H.-K.S.Leiros, R.Ahmad, J.Spencer, I.Leiros, T.R.Walsh, A.Sundsfjord, O.Samuelsen. Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases J.Mol.Biol. V. 411 174 2011.
ISSN: ISSN 0022-2836
PubMed: 21645522
DOI: 10.1016/J.JMB.2011.05.035