Magnesium in PDB 5kns: E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine

The structure of E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine, PDB code: 5kns was solved by W.S.Eng, D.T.Keough, D.Hockova, Z.Janeba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.31 / 2.79
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.411, 84.411, 167.140, 90.00, 90.00, 120.00
R / Rfree (%)	15.5 / 21

The binding sites of Magnesium atom in the E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine (pdb code 5kns). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine, PDB code: 5kns:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:0.3 occ:1.00 O A:HOH301 2.1 1.0 1.0 OE1 A:GLU103 2.1 0.3 1.0 OD1 A:ASP104 2.1 75.2 1.0 OE2 A:GLU103 2.1 0.5 1.0 OAU A:3L7201 2.2 0.3 1.0 CD A:GLU103 2.4 98.9 1.0 CG A:ASP104 3.1 62.1 1.0 CAJ A:3L7201 3.1 0.3 1.0 CAK A:3L7201 3.2 0.7 1.0 OD2 A:ASP104 3.4 64.8 1.0 CAL A:3L7201 3.7 0.8 1.0 CAP A:3L7201 3.8 0.4 1.0 CG A:GLU103 3.9 77.8 1.0 N A:ASP104 4.1 39.8 1.0 O A:ILE105 4.3 48.7 1.0 N A:ILE105 4.3 48.2 1.0 CB A:ASP104 4.4 32.5 1.0 CG2 A:ILE105 4.7 44.8 1.0 CB A:GLU103 4.7 51.5 1.0 O A:LEU45 4.7 62.8 1.0 CA A:ASP104 4.8 40.4 1.0 NAY A:3L7201 4.9 0.2 1.0 CAN A:3L7201 4.9 0.0 1.0 CA A:GLU103 5.0 54.2 1.0

Magnesium binding site 2 out of 2 in the E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonoethoxyethyl)-2- Aminoethyl]Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:0.8 occ:1.00 O B:HOH339 2.1 75.8 1.0 O B:HOH301 2.1 0.9 1.0 OE1 B:GLU103 2.1 0.4 1.0 OE2 B:GLU103 2.1 93.5 1.0 CD B:GLU103 2.1 89.5 1.0 OD1 B:ASP104 2.1 81.4 1.0 OAU B:3L7201 3.0 0.8 1.0 CG B:ASP104 3.1 71.8 1.0 CG B:GLU103 3.3 72.5 1.0 OD2 B:ASP104 3.5 78.2 1.0 CAJ B:3L7201 3.8 0.4 1.0 N B:ASP104 3.9 56.6 1.0 CAK B:3L7201 4.0 0.8 1.0 O B:ILE105 4.1 50.0 1.0 N B:ILE105 4.3 46.0 1.0 CB B:ASP104 4.4 43.1 1.0 CB B:GLU103 4.4 41.8 1.0 CAL B:3L7201 4.5 0.2 1.0 O B:LEU45 4.6 52.5 1.0 CA B:ASP104 4.6 47.7 1.0 CAN B:3L7201 4.7 97.1 1.0 CA B:GLU103 4.7 47.5 1.0 CAP B:3L7201 4.7 0.7 1.0 CG2 B:ILE105 4.8 47.7 1.0 C B:GLU103 4.8 43.1 1.0 CB B:LEU45 4.9 49.1 1.0 C B:ASP104 5.0 45.4 1.0

W.S.Eng, D.Hockova, P.Spacek, O.Baszczynski, Z.Janeba, L.Naesens, D.T.Keough, L.W.Guddat. Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia Coli Hypoxanthine Phosphoribosyltransferase Chemistryselect V. 1 6267 2016.
ISSN: ESSN 2365-6549
DOI: 10.1002/SLCT.201601679