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

The structure of E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonobutyl)-2-Aminoethyl]- Hypoxanthine, PDB code: 5knv 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)	44.38 / 2.86
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.725, 84.725, 167.204, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22.8

The binding sites of Magnesium atom in the E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonobutyl)-2-Aminoethyl]- Hypoxanthine (pdb code 5knv). 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-Phosphonobutyl)-2-Aminoethyl]- Hypoxanthine, PDB code: 5knv:
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-Phosphonobutyl)-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-Phosphonobutyl)-2-Aminoethyl]- Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:0.2 occ:1.00 O A:HOH343 2.1 76.8 1.0 OD1 A:ASP104 2.1 66.4 1.0 CG A:ASP104 2.9 62.7 1.0 OE2 A:GLU103 2.9 71.4 1.0 OD2 A:ASP104 3.1 62.9 1.0 CD A:GLU103 3.2 72.2 1.0 OE1 A:GLU103 3.3 80.7 1.0 CAL A:6W9201 3.3 0.5 1.0 O A:HOH337 4.2 69.4 1.0 CG A:GLU103 4.2 58.0 1.0 CAJ A:6W9201 4.2 0.1 1.0 CB A:ASP104 4.3 51.1 1.0 N A:ASP104 4.4 48.8 1.0 NAX A:6W9201 4.5 0.6 1.0 O A:ILE105 4.5 59.3 1.0 CAK A:6W9201 4.6 0.5 1.0 N A:ILE105 4.6 52.0 1.0 CAN A:6W9201 4.7 0.7 1.0 CG2 A:ILE105 4.7 55.5 1.0 CA A:GLY48 4.7 59.6 1.0 CAM A:6W9201 4.8 0.6 1.0 O A:LEU45 4.8 54.2 1.0 CA A:ASP104 4.9 45.0 1.0 N A:GLY48 5.0 54.8 1.0

Magnesium binding site 2 out of 2 in the E Coli Hypoxanthine Guanine Phosphoribosyltransferase in Complexed with 9-[(N-Phosphonoethyl-N-Phosphonobutyl)-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-Phosphonobutyl)-2-Aminoethyl]- Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:0.8 occ:1.00 O B:HOH327 2.1 82.2 1.0 O B:HOH303 2.1 65.3 1.0 O B:HOH304 2.1 80.7 1.0 O B:HOH344 2.1 71.3 1.0 OE2 B:GLU103 2.1 89.5 1.0 OD1 B:ASP104 2.1 66.6 1.0 CD B:GLU103 2.9 72.5 1.0 CG B:ASP104 3.0 60.3 1.0 OD2 B:ASP104 3.3 61.4 1.0 OE1 B:GLU103 3.4 77.0 1.0 O B:HOH335 4.0 64.2 1.0 CG B:GLU103 4.1 57.6 1.0 CAL B:6W9201 4.2 97.2 1.0 N B:ASP104 4.3 50.5 1.0 O B:LEU45 4.3 44.8 1.0 CB B:ASP104 4.4 44.0 1.0 CA B:GLY48 4.7 49.9 1.0 CAK B:6W9201 4.7 0.8 1.0 N B:ILE105 4.8 50.7 1.0 O B:ILE105 4.8 59.0 1.0 N B:GLY48 4.8 54.4 1.0 CA B:ASP104 4.9 44.6 1.0 CG2 B:ILE105 5.0 51.1 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