Magnesium in PDB 4f20: 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: 4f20 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)	34.37 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.088, 70.088, 175.760, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 27

The binding sites of Magnesium atom in the Crystal Structures Reveal the Multi-Ligand Binding Mechanism of the Staphylococcus Aureus Clfb (pdb code 4f20). 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: 4f20:
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:0.3 occ:1.00 O A:ALA347 2.4 0.7 1.0 O A:VAL219 3.2 0.2 1.0 C A:ALA347 3.6 0.2 1.0 O A:ASN216 3.8 0.7 1.0 CB A:ALA347 3.8 0.1 1.0 OE1 A:GLU349 4.1 0.6 1.0 CB A:GLU349 4.1 0.1 1.0 C A:VAL219 4.3 0.1 1.0 CA A:ALA347 4.3 0.7 1.0 CA A:THR220 4.4 0.0 1.0 C A:ASP348 4.4 0.2 1.0 O A:ASP348 4.4 0.6 1.0 N A:ASP348 4.6 0.1 1.0 N A:GLU349 4.6 0.1 1.0 O A:ILE346 4.6 0.6 1.0 CB A:THR220 4.7 0.9 1.0 CB A:ASP348 4.7 0.1 1.0 CA A:ASP348 4.8 0.3 1.0 N A:THR220 4.8 0.4 1.0 C A:ASN216 4.8 0.1 1.0 CD A:GLU349 4.9 1.0 1.0 CA A:GLU349 4.9 1.0 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:0.4 occ:1.00 O A:TYR470 2.9 0.2 1.0 O A:TYR468 3.0 0.8 1.0 N A:ASN472 3.2 0.3 1.0 O A:VAL424 3.3 0.4 1.0 CA A:ASP471 3.6 0.3 1.0 C A:TYR470 3.7 0.1 1.0 C A:ASP471 3.9 0.7 1.0 C A:TYR468 4.1 0.5 1.0 N A:ASP471 4.1 0.6 1.0 CA A:ASN472 4.2 0.4 1.0 CB A:SER425 4.3 99.7 1.0 O A:LYS469 4.4 1.0 1.0 N A:VAL473 4.5 97.4 1.0 C A:VAL424 4.5 0.2 1.0 C A:LYS469 4.6 0.3 1.0 CA A:SER425 4.6 98.2 1.0 OD1 A:ASP471 4.7 0.1 1.0 CB A:ASP471 4.7 0.8 1.0 CB A:TYR468 4.8 0.2 1.0 CA A:TYR468 4.8 0.5 1.0 N A:TYR470 4.8 0.4 1.0 O A:VAL473 4.8 0.8 1.0 CA A:TYR470 4.9 0.9 1.0 C A:ASN472 4.9 0.3 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