Manganese in PDB 3qfk: 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate

The structure of 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate, PDB code: 3qfk was solved by G.Minasov, Z.Wawrzak, S.N.Krishna, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, O.Kiryukhina, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.20 / 2.05
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.444, 84.689, 95.966, 90.00, 116.91, 90.00
R / Rfree (%)	17.3 / 22.1

The structure of 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Manganese atom in the 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate (pdb code 3qfk). 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 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate, PDB code: 3qfk:

Manganese binding site 1 out of 1 in the 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn513 b:47.4 occ:0.80 OD1 A:ASN93 2.2 40.4 1.0 OD2 A:ASP56 2.4 32.2 1.0 NE2 A:HIS191 2.4 34.3 1.0 ND1 A:HIS231 2.5 38.9 1.0 O A:HOH623 2.5 34.5 1.0 CG A:ASP56 3.1 34.5 1.0 CG A:ASN93 3.3 42.0 1.0 CE1 A:HIS231 3.3 37.9 1.0 CD2 A:HIS191 3.3 33.9 1.0 CE1 A:HIS191 3.4 39.9 1.0 O A:HOH548 3.4 39.0 1.0 OD1 A:ASP56 3.5 38.1 1.0 ZN A:ZN512 3.5 44.9 1.0 CG A:HIS231 3.5 38.1 1.0 CA A:HIS231 3.7 39.1 1.0 OD1 A:ASP11 3.8 42.4 1.0 ND2 A:ASN93 3.9 40.4 1.0 CB A:HIS231 3.9 37.4 1.0 O A:HIS231 4.1 38.9 1.0 O A:HOH720 4.2 38.0 1.0 N A:ASN93 4.2 39.1 1.0 CD2 A:HIS94 4.3 43.5 1.0 CB A:ASP56 4.4 35.1 1.0 C A:HIS231 4.4 39.1 1.0 NE2 A:HIS231 4.5 41.7 1.0 CG A:HIS191 4.5 36.1 1.0 ND1 A:HIS191 4.5 36.3 1.0 CB A:ASN93 4.5 40.6 1.0 CD2 A:HIS231 4.6 37.1 1.0 N A:HIS231 4.6 38.1 1.0 CA A:ASN93 4.9 39.6 1.0 NE2 A:HIS94 4.9 48.6 1.0 CG A:ASP11 5.0 37.0 1.0

G.Minasov, Z.Wawrzak, S.N.Krishna, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, O.Kiryukhina, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase From Staphylococcus Aureus in Complex with Alpha-Ketoglutarate. To Be Published.