Magnesium in PDB 4emw: Crystal Structure of Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa:
1.8.1.14;

The structure of Crystal Structure of Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa, PDB code: 4emw was solved by J.S.Edwards, B.D.Wallace, A.Claiborne, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.28 / 2.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.036, 64.885, 94.392, 90.00, 104.77, 90.00
R / Rfree (%)	16.4 / 21.8

The structure of Crystal Structure of Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa (pdb code 4emw). 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 Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa, PDB code: 4emw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa


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 Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:49.6 occ:1.00 O A:HOH688 2.1 48.6 1.0 O A:HOH689 3.5 62.7 1.0 O A:HOH687 3.7 23.0 1.0 O A:HOH685 4.2 26.0 1.0 O A:HOH676 4.3 42.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa


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 Staphylococcus Aureus Bound with the Covalent Inhibitor Etvc-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:96.7 occ:1.00 O B:HOH713 3.8 32.0 1.0 O B:HOH715 4.5 31.8 1.0 O B:HOH714 4.6 48.6 1.0

B.D.Wallace, J.S.Edwards, J.R.Wallen, W.J.Moolman, R.Van Der Westhuyzen, E.Strauss, M.R.Redinbo, A.Claiborne. Turnover-Dependent Covalent Inactivation of Staphylococcus Aureus Coenzyme A-Disulfide Reductase By Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry V. 51 7699 2012.
ISSN: ISSN 0006-2960
PubMed: 22954034
DOI: 10.1021/BI301026C