Magnesium in PDB 4f27: Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb

The structure of Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb, PDB code: 4f27 was solved by M.J.Yang, H.Xiang, J.W.Wang, B.Liu, Y.G.Chen, L.Liu, X.M.Deng, Y.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.78 / 1.92
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.983, 70.983, 174.908, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22.6

The binding sites of Magnesium atom in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb (pdb code 4f27). 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 Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb, PDB code: 4f27:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:48.8 occ:1.00 O A:HOH791 2.4 56.0 1.0 O A:TYR470 2.4 47.4 1.0 O A:HOH714 2.4 48.2 1.0 O A:HOH792 2.5 56.4 1.0 O A:TYR468 2.5 52.9 1.0 O A:HOH707 2.6 46.1 1.0 C A:TYR470 3.4 50.4 1.0 C A:TYR468 3.6 48.9 1.0 N A:ASN472 3.9 43.7 1.0 CA A:ASP471 4.0 48.3 1.0 N A:TYR470 4.1 49.0 1.0 C A:LYS469 4.1 56.2 1.0 N A:ASP471 4.1 45.0 1.0 O A:LYS469 4.1 57.4 1.0 CA A:TYR470 4.3 46.7 1.0 C A:ASP471 4.4 44.5 1.0 CA A:TYR468 4.4 48.1 1.0 CB A:TYR468 4.4 47.1 1.0 O A:VAL424 4.5 44.5 1.0 O A:VAL473 4.6 41.8 1.0 N A:LYS469 4.6 51.0 1.0 OD1 A:ASP471 4.6 69.5 1.0 CA A:LYS469 4.8 54.1 1.0 N A:VAL473 4.9 41.9 1.0 CA A:ASN472 4.9 42.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:60.6 occ:1.00 O A:HOH766 2.3 60.5 1.0 O A:ALA347 2.3 49.4 1.0 O A:VAL219 2.4 49.0 1.0 O A:ASN216 2.6 53.9 1.0 C A:ALA347 3.5 50.2 1.0 C A:VAL219 3.6 55.4 1.0 CB A:ALA347 3.6 51.6 1.0 C A:ASN216 3.7 47.6 1.0 O A:HOH775 3.9 56.9 1.0 CA A:ALA347 4.2 49.0 1.0 N A:VAL219 4.3 48.6 1.0 CB A:ASP348 4.5 57.0 1.0 N A:THR220 4.5 56.4 1.0 CA A:THR220 4.5 56.4 1.0 CA A:VAL219 4.5 50.2 1.0 CA A:ASP217 4.5 50.7 1.0 N A:ASP217 4.6 47.7 1.0 N A:ASP348 4.6 52.9 1.0 CA A:ASN216 4.6 46.0 1.0 C A:ASP217 4.7 53.5 1.0 CB A:ASN216 4.8 44.1 1.0 CA A:ASP348 4.9 56.1 1.0 OG1 A:THR220 4.9 62.2 1.0 C A:ASP348 5.0 60.7 1.0 O A:ILE346 5.0 48.0 1.0

H.Xiang, Y.Feng, J.W.Wang, B.Liu, Y.G.Chen, L.Liu, X.M.Deng, M.J.Yang. Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus Aureus Clfb Plos Pathog. V. 8 02751 2012.
ISSN: ISSN 1553-7366
PubMed: 22719251
DOI: 10.1371/JOURNAL.PPAT.1002751