Magnesium in PDB 4ygr: Crystal Structure of Had Phosphatase From Thermococcus Onnurineus

The structure of Crystal Structure of Had Phosphatase From Thermococcus Onnurineus, PDB code: 4ygr was solved by T.D.Ngo, B.V.Le, V.K.Subramani, C.M.T.Nguyen, H.S.Lee, Y.Cho, K.K.Kim, H.Y.Hwang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.24 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.540, 61.702, 37.575, 90.00, 107.35, 90.00
R / Rfree (%)	16.2 / 18.8

The binding sites of Magnesium atom in the Crystal Structure of Had Phosphatase From Thermococcus Onnurineus (pdb code 4ygr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Had Phosphatase From Thermococcus Onnurineus, PDB code: 4ygr:

Magnesium binding site 1 out of 1 in the Crystal Structure of Had Phosphatase From Thermococcus Onnurineus


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 Had Phosphatase From Thermococcus Onnurineus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:14.8 occ:1.00 O1 A:NHE301 2.2 18.0 1.0 OD2 A:ASP7 2.3 14.7 1.0 O A:ASP9 2.3 11.8 1.0 OD1 A:ASP166 2.3 10.6 1.0 O A:HOH510 2.5 11.5 1.0 CG A:ASP7 3.1 11.5 1.0 CG A:ASP166 3.3 11.9 1.0 OD1 A:ASP7 3.3 11.4 1.0 C A:ASP9 3.5 11.4 1.0 S A:NHE301 3.6 16.9 1.0 O A:HOH523 3.7 18.0 1.0 OD2 A:ASP166 3.8 10.4 1.0 O A:HOH524 3.8 21.9 1.0 O3 A:NHE301 4.1 14.6 1.0 CA A:ASP9 4.1 10.4 1.0 N A:ASP9 4.2 8.0 1.0 CB A:ASP9 4.2 9.4 1.0 OG1 A:THR11 4.3 11.7 1.0 O A:HOH498 4.3 11.4 1.0 OD2 A:ASP171 4.3 10.5 1.0 O2 A:NHE301 4.4 17.8 1.0 CB A:ASP7 4.4 9.2 1.0 N A:ASP166 4.5 12.3 1.0 CB A:ASP166 4.5 11.7 1.0 N A:GLY10 4.6 11.9 1.0 O A:HOH500 4.7 11.8 1.0 N A:SER167 4.7 9.7 1.0 CA A:ASP166 4.8 12.7 1.0 C2 A:NHE301 4.8 14.8 1.0 CA A:GLY10 4.9 11.4 1.0 CB A:SER167 4.9 10.5 1.0 C A:ASP166 4.9 9.5 1.0 C A:ILE8 4.9 11.6 1.0

T.D.Ngo, B.V.Le, V.K.Subramani, C.M.T.Nguyen, H.S.Lee, Y.Cho, K.K.Kim, H.Y.Hwang. Structural Basis For the Substrate Selectivity of A Had Phosphatase From Thermococcus Onnurineus NA1 Biochem.Biophys.Res.Commun. 2015.
ISSN: ESSN 1090-2104
PubMed: 25858319
DOI: 10.1016/J.BBRC.2015.03.179