Magnesium in PDB 3i48: Crystal Structure of Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions

The structure of Crystal Structure of Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions, PDB code: 3i48 was solved by M.Huseby, K.Shi, A.C.Kruse, D.H.Ohlendorf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.16 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.900, 68.577, 126.559, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22

The binding sites of Magnesium atom in the Crystal Structure of Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions (pdb code 3i48). 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 Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions, PDB code: 3i48:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions


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 Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:23.9 occ:1.00 O2 A:PO4403 2.0 25.0 1.0 OE2 A:GLU53 2.1 21.3 1.0 O A:HOH466 2.1 26.6 1.0 O A:HOH464 2.1 21.0 1.0 O A:HOH467 2.1 23.6 1.0 O A:HOH465 2.2 24.1 1.0 CD A:GLU53 3.0 24.8 1.0 P A:PO4403 3.3 26.8 1.0 OE1 A:GLU53 3.3 28.7 1.0 O1 A:PO4403 3.7 28.5 1.0 ND2 A:ASN16 3.8 16.5 1.0 O4 A:PO4403 3.9 28.0 1.0 CE1 A:HIS289 4.0 17.3 1.0 OD2 A:ASP288 4.2 24.2 1.0 OD1 A:ASP288 4.4 21.3 1.0 OD1 A:ASN16 4.4 18.8 1.0 CG A:GLU53 4.4 21.8 1.0 ND1 A:HIS289 4.5 20.4 1.0 O3 A:PO4403 4.5 28.3 1.0 CD1 A:TYR18 4.5 22.0 1.0 CG A:ASN16 4.5 17.4 1.0 CG A:ASP288 4.7 22.3 1.0 O A:HOH470 4.8 42.1 1.0 CE1 A:TYR18 4.8 24.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions


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 Beta Toxin From Staphylococcus Aureus F277A, P278A Mutant with Bound Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:26.1 occ:1.00 O3 B:PO4404 2.0 28.1 1.0 O B:HOH463 2.1 25.4 1.0 O B:HOH462 2.1 25.0 1.0 OE2 B:GLU53 2.1 24.5 1.0 O B:HOH461 2.1 25.1 1.0 O B:HOH460 2.1 23.2 1.0 CD B:GLU53 3.0 24.9 1.0 P B:PO4404 3.3 29.5 1.0 OE1 B:GLU53 3.3 28.8 1.0 O2 B:PO4404 3.6 29.6 1.0 CE1 B:HIS289 4.0 16.2 1.0 O4 B:PO4404 4.0 30.3 1.0 ND2 B:ASN16 4.1 20.7 1.0 OD2 B:ASP288 4.1 24.2 1.0 OD1 B:ASP288 4.3 22.9 1.0 O B:HOH468 4.3 42.7 1.0 CG B:GLU53 4.4 21.5 1.0 ND1 B:HIS289 4.4 23.8 1.0 OD1 B:ASN16 4.4 21.3 1.0 O1 B:PO4404 4.4 28.6 1.0 CD1 B:TYR18 4.5 25.8 1.0 CG B:ASN16 4.7 18.8 1.0 CG B:ASP288 4.7 22.0 1.0 CE1 B:TYR18 4.9 24.5 1.0

M.Huseby, K.Shi, A.C.Kruse, J.Digre, F.Mengistu, G.A.Bohach, P.S.Schlievert, D.H.Ohlendorf, C.A.Earhart. Structure and Biological Functions of Beta Toxin From Staphylococcus Aureus: Role of the Hydrophobic Beta Hairpin in Virulence To Be Published 2009.