Magnesium in PDB 3luz: Crystal Structure of Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement

The structure of Crystal Structure of Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement, PDB code: 3luz was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.04 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.540, 81.280, 58.760, 90.00, 98.78, 90.00
R / Rfree (%)	21.7 / 26.2

The structure of Crystal Structure of Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement also contains other interesting chemical elements:

Iodine

(I)

13 atoms

The binding sites of Magnesium atom in the Crystal Structure of Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement (pdb code 3luz). 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 Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement, PDB code: 3luz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement


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 Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg264 b:55.6 occ:1.00 OE1 A:GLU69 2.0 58.2 1.0 O A:LEU88 2.1 38.5 1.0 O A:HOH313 2.2 53.3 1.0 OD1 A:ASP86 2.2 38.8 1.0 O A:HOH314 2.6 43.7 1.0 CD A:GLU69 3.0 60.9 1.0 C A:LEU88 3.1 37.8 1.0 CG A:ASP86 3.1 38.4 1.0 OD2 A:ASP86 3.3 36.9 1.0 OE2 A:GLU69 3.4 63.1 1.0 OG1 A:THR91 3.7 49.6 1.0 N A:ASP89 3.8 37.1 1.0 O A:HOH315 4.0 52.3 1.0 CA A:ASP89 4.0 37.7 1.0 O A:HOH285 4.0 43.3 1.0 N A:LEU88 4.0 39.1 1.0 CA A:LEU88 4.0 38.9 1.0 OD2 A:ASP46 4.2 65.3 1.0 CG A:GLU69 4.3 60.8 1.0 CB A:ASP86 4.5 38.8 1.0 CB A:LEU88 4.5 40.2 1.0 CB A:GLU69 4.6 59.2 1.0 O A:HOH344 4.7 64.1 1.0 CA A:ASP86 4.9 38.9 1.0 CD A:PRO87 4.9 41.7 1.0 C A:ASP86 5.0 39.1 1.0 C A:ASP89 5.0 37.2 1.0 N A:GLY90 5.0 37.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement


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 Extragenic Suppressor Protein Suhb From Bartonella Henselae, Via Combined Iodide Sad Molecular Replacement within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg264 b:62.6 occ:1.00 OD1 B:ASP86 2.0 48.2 1.0 O B:HOH311 2.0 56.2 1.0 O B:LEU88 2.0 48.2 1.0 OE1 B:GLU69 2.0 67.7 1.0 O B:HOH295 2.1 61.4 1.0 CG B:ASP86 3.0 47.9 1.0 C B:LEU88 3.0 47.5 1.0 CD B:GLU69 3.2 72.3 1.0 OD2 B:ASP86 3.2 49.9 1.0 OE2 B:GLU69 3.8 75.2 1.0 N B:ASP89 3.8 45.8 1.0 N B:LEU88 3.9 50.1 1.0 CA B:ASP89 3.9 46.1 1.0 CA B:LEU88 4.0 49.0 1.0 OD1 B:ASP46 4.0 72.6 1.0 OG1 B:THR91 4.1 56.7 1.0 CB B:ASP86 4.3 47.7 1.0 CG B:GLU69 4.4 72.5 1.0 CB B:LEU88 4.5 50.6 1.0 CB B:GLU69 4.5 70.0 1.0 CD B:PRO87 4.5 54.0 1.0 O B:HOH284 4.6 58.0 1.0 CA B:ASP86 4.6 49.3 1.0 N B:PRO87 4.7 52.2 1.0 C B:ASP86 4.7 49.6 1.0 CB B:ASP89 4.9 45.3 1.0

J.Abendroth, A.S.Gardberg, J.I.Robinson, J.S.Christensen, B.L.Staker, P.J.Myler, L.J.Stewart, T.E.Edwards. Sad Phasing Using Iodide Ions in A High-Throughput Structural Genomics Environment. J Struct Funct Genomics V. 12 83 2011.
PubMed: 21359836
DOI: 10.1007/S10969-011-9101-7