Manganese in PDB 4q7f: 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine.

The structure of 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine., PDB code: 4q7f was solved by G.Minasov, S.Nocadello, L.Shuvalova, I.Dubrovska, J.Winsor, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.36 / 1.98
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.584, 86.452, 95.647, 90.00, 116.86, 90.00
R / Rfree (%)	18.7 / 21.8

The structure of 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine. also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine. (pdb code 4q7f). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine., PDB code: 4q7f:

Manganese binding site 1 out of 1 in the 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:22.3 occ:1.00 OD2 A:ASP56 2.2 19.9 1.0 OD2 A:ASP11 2.2 23.2 1.0 NE2 A:HIS13 2.3 21.7 1.0 O A:HOH764 2.3 20.9 1.0 NE2 A:HIS233 2.4 18.9 1.0 O A:HOH972 2.4 33.4 1.0 CE1 A:HIS13 3.1 21.8 1.0 CG A:ASP56 3.2 21.0 1.0 CG A:ASP11 3.2 20.9 1.0 CE1 A:HIS233 3.3 19.8 1.0 CD2 A:HIS13 3.3 20.7 1.0 CD2 A:HIS233 3.3 19.1 1.0 MG A:MG601 3.4 21.0 1.0 CB A:ASP56 3.5 19.7 1.0 CB A:ASP11 3.6 20.1 1.0 O A:HIS231 4.1 21.6 1.0 CD2 A:HIS94 4.2 20.2 1.0 ND1 A:HIS13 4.3 20.3 1.0 O3' A:3D1603 4.3 38.2 1.0 OD1 A:ASP56 4.3 21.5 1.0 OD1 A:ASP11 4.3 21.4 1.0 CG A:HIS13 4.4 19.8 1.0 O A:HOH949 4.4 35.1 1.0 ND1 A:HIS233 4.4 20.1 1.0 CG A:HIS233 4.5 19.5 1.0 CA A:ASP11 4.5 18.9 1.0 CA A:HIS231 4.6 22.0 1.0 NE2 A:HIS191 4.6 21.5 1.0 CE1 A:HIS191 4.7 20.4 1.0 C A:HIS231 4.7 22.7 1.0 NE2 A:HIS94 4.7 21.4 1.0

G.Minasov, S.Nocadello, L.Shuvalova, I.Dubrovska, J.Winsor, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Adenosine. To Be Published.