Magnesium in PDB 3bs1: Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding

The structure of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding, PDB code: 3bs1 was solved by D.J.Sidote, C.Barbieri, T.Wu, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.30 / 1.60
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	47.938, 47.938, 100.112, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.1

The structure of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Magnesium atom in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding (pdb code 3bs1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding, PDB code: 3bs1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:21.9 occ:1.00 O A:HOH347 2.0 27.6 1.0 O A:HOH346 2.0 24.6 1.0 O A:HOH321 2.0 22.5 1.0 O A:HOH345 2.0 21.4 1.0 O A:HOH307 2.1 25.8 1.0 O A:HOH248 2.1 20.1 1.0 NZ A:LYS223 3.9 23.4 1.0 O A:ASP157 4.0 11.3 1.0 OD1 A:ASP158 4.1 19.9 1.0 OD2 A:ASP176 4.2 22.5 1.0 OD1 A:ASP176 4.2 20.9 1.0 O A:HOH310 4.3 44.5 1.0 O A:HOH298 4.4 22.8 1.0 O A:HOH266 4.5 20.8 1.0 C A:ASP157 4.6 11.2 1.0 CG A:ASP176 4.6 19.1 1.0 CA A:ASP158 4.8 12.1 1.0 CE A:LYS223 4.8 20.5 1.0 N A:ASP158 4.8 11.1 1.0

Magnesium binding site 2 out of 2 in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2 b:17.8 occ:1.00 O A:SER190 2.3 17.9 1.0 O A:HOH314 2.3 28.6 1.0 O A:PHE196 2.3 13.3 1.0 O A:HOH348 2.3 34.0 1.0 O A:HOH264 2.4 19.7 1.0 O A:ASP193 2.6 15.5 1.0 C A:SER190 3.4 17.1 1.0 C A:PHE196 3.5 12.3 1.0 C A:ASP193 3.6 16.9 1.0 CA A:ASP194 3.8 17.1 1.0 O A:ASP194 3.9 16.1 1.0 C A:ASP194 3.9 15.7 1.0 CA A:SER190 4.0 16.3 1.0 N A:ASP194 4.1 16.7 1.0 N A:PHE196 4.1 12.4 1.0 CA A:PHE196 4.2 11.9 1.0 O A:HOH338 4.2 38.1 1.0 O A:HOH240 4.3 16.5 1.0 O A:HOH306 4.4 40.9 1.0 CB A:SER190 4.4 16.5 1.0 N A:PHE197 4.4 11.5 1.0 CB A:PHE196 4.5 12.2 1.0 N A:GLN191 4.5 17.8 1.0 N A:ASP193 4.6 17.2 1.0 CA A:PHE197 4.6 11.3 1.0 O A:HOH324 4.6 33.1 1.0 CA A:ASP193 4.7 17.2 1.0 O A:HOH313 4.7 32.5 1.0 N A:ARG195 4.7 14.3 1.0 CA A:GLN191 4.8 18.5 1.0 OD1 A:ASP194 4.9 24.9 1.0

D.J.Sidote, C.M.Barbieri, T.Wu, A.M.Stock. Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with An Unusual Mode of Binding. Structure V. 16 727 2008.
ISSN: ISSN 0969-2126
PubMed: 18462677
DOI: 10.1016/J.STR.2008.02.011