Magnesium in PDB 5eq9: Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+

The structure of Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+, PDB code: 5eq9 was solved by M.Ruszkowski, Z.Dauter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.25 / 1.36
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.885, 89.802, 92.593, 90.00, 97.07, 90.00
R / Rfree (%)	11.6 / 15.6

The binding sites of Magnesium atom in the Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+ (pdb code 5eq9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+, PDB code: 5eq9:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+


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 Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:25.1 occ:0.70 OD1 A:ASP270 2.1 12.9 1.0 OD2 A:ASP146 2.2 17.9 1.0 CA A:ASP270 2.7 10.8 1.0 CG A:ASP270 2.9 18.4 1.0 CG A:ASP146 3.0 13.1 1.0 OD1 A:ASP149 3.1 11.9 1.0 N A:ASP270 3.1 8.3 1.0 CB A:ASP270 3.1 15.8 1.0 O A:TYR269 3.2 11.6 1.0 CB A:ASP146 3.3 11.7 1.0 C A:TYR269 3.4 9.6 1.0 O A:HOH527 3.5 29.4 0.5 CD1 A:TYR269 3.6 12.7 1.0 CG A:ASP149 3.6 8.4 1.0 CB A:ASP149 3.7 8.3 1.0 CD1 A:LEU164 3.8 8.3 1.0 OD2 A:ASP270 4.1 19.5 1.0 C A:ASP270 4.1 8.5 1.0 OD1 A:ASP146 4.2 16.2 1.0 CE1 A:TYR269 4.3 14.6 1.0 O A:HOH527 4.3 19.0 0.5 CA A:ASP149 4.3 7.9 1.0 O A:ASP270 4.5 10.7 1.0 O A:HOH553 4.5 34.5 1.0 CA A:TYR269 4.6 9.3 1.0 CG A:TYR269 4.6 10.8 1.0 CB A:TYR269 4.6 11.2 1.0 OD2 A:ASP149 4.6 9.0 1.0 CA A:ASP146 4.8 10.3 1.0 CG A:LEU164 4.9 8.4 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:27.5 occ:0.70 OD2 B:ASP146 2.1 22.2 1.0 OD1 B:ASP270 2.2 12.8 1.0 CG B:ASP146 2.8 14.6 1.0 CA B:ASP270 2.9 9.4 1.0 CG B:ASP270 3.1 16.5 1.0 OD1 B:ASP149 3.1 11.8 1.0 CB B:ASP146 3.1 12.6 1.0 N B:ASP270 3.2 7.8 1.0 O B:TYR269 3.2 11.5 1.0 CB B:ASP270 3.3 14.3 1.0 O B:HOH503 3.3 22.8 0.5 C B:TYR269 3.4 8.2 1.0 CD1 B:TYR269 3.6 14.8 1.0 CG B:ASP149 3.6 8.1 1.0 CB B:ASP149 3.7 7.8 1.0 CD1 B:LEU164 3.8 9.0 1.0 OD1 B:ASP146 4.0 18.1 1.0 C B:ASP270 4.2 8.5 1.0 OD2 B:ASP270 4.3 18.0 1.0 O B:HOH503 4.3 20.1 0.5 CE1 B:TYR269 4.3 17.6 1.0 CA B:ASP149 4.3 7.2 1.0 O B:ASP270 4.5 10.9 1.0 CA B:TYR269 4.6 9.6 1.0 CG B:TYR269 4.6 12.0 1.0 O B:HOH626 4.6 28.4 1.0 CB B:TYR269 4.6 12.2 1.0 CA B:ASP146 4.6 9.1 1.0 OD2 B:ASP149 4.6 8.6 1.0 CG B:LEU164 4.8 7.7 1.0 N B:ASP149 5.0 7.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:36.8 occ:0.70 OD2 C:ASP146 2.0 30.3 1.0 OD1 C:ASP270 2.1 14.8 1.0 CA C:ASP270 2.6 11.6 1.0 OD1 C:ASP149 2.8 14.7 1.0 CG C:ASP270 2.9 17.9 1.0 CG C:ASP146 3.0 18.0 1.0 CB C:ASP270 3.1 15.2 1.0 N C:ASP270 3.1 11.1 1.0 O C:HOH534 3.3 18.3 0.5 O C:TYR269 3.3 11.6 1.0 C C:TYR269 3.4 11.2 1.0 CB C:ASP146 3.4 14.4 1.0 CG C:ASP149 3.5 10.3 1.0 CB C:ASP149 3.7 10.4 1.0 CD1 C:TYR269 3.8 21.1 1.0 CD1 C:LEU164 3.8 9.3 1.0 C C:ASP270 3.9 10.0 1.0 OD1 C:ASP146 4.1 22.9 1.0 OD2 C:ASP270 4.2 19.1 1.0 O C:ASP270 4.3 12.3 1.0 CA C:ASP149 4.4 9.5 1.0 CE1 C:TYR269 4.4 32.1 1.0 OD2 C:ASP149 4.5 10.8 1.0 O C:HOH595 4.5 32.8 1.0 O C:HOH534 4.5 26.0 0.5 CA C:TYR269 4.6 11.7 1.0 CG C:TYR269 4.7 16.9 1.0 CB C:TYR269 4.8 15.8 1.0 CG C:LEU164 4.9 9.0 1.0 CA C:ASP146 4.9 11.9 1.0 O C:HOH606 5.0 11.3 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Medicago Truncatula Histidinol-Phosphate Phosphatase (Mthpp) in Complex with L-Histidinol Phosphate and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg402 b:29.1 occ:0.70 OD2 D:ASP146 2.1 22.2 1.0 OD1 D:ASP270 2.1 16.1 1.0 CA D:ASP270 2.7 12.6 1.0 CG D:ASP270 2.8 20.6 1.0 CG D:ASP146 3.0 15.8 1.0 OD1 D:ASP149 3.0 13.9 1.0 CB D:ASP270 3.1 18.4 1.0 N D:ASP270 3.1 12.2 1.0 O D:TYR269 3.2 14.6 1.0 CB D:ASP146 3.3 13.7 1.0 C D:TYR269 3.3 12.9 1.0 O D:HOH577 3.4 24.8 0.5 CG D:ASP149 3.6 11.3 1.0 CD1 D:TYR269 3.6 18.7 1.0 CB D:ASP149 3.7 10.3 1.0 CD1 D:LEU164 3.8 10.6 1.0 C D:ASP270 4.0 11.4 1.0 OD2 D:ASP270 4.1 24.4 1.0 OD1 D:ASP146 4.2 17.3 1.0 CA D:ASP149 4.3 9.3 1.0 CE1 D:TYR269 4.3 21.5 1.0 O D:HOH577 4.4 25.7 0.5 O D:ASP270 4.4 12.3 1.0 O D:HOH551 4.5 34.7 1.0 CA D:TYR269 4.5 13.6 1.0 CG D:TYR269 4.6 17.2 1.0 OD2 D:ASP149 4.6 11.2 1.0 CB D:TYR269 4.7 17.4 1.0 CA D:ASP146 4.8 10.7 1.0 CG D:LEU164 4.8 8.7 1.0 N D:ASP149 5.0 9.1 1.0

M.Ruszkowski, Z.Dauter. Structural Studies of Medicago Truncatula Histidinol Phosphate Phosphatase From Inositol Monophosphatase Superfamily Reveal Details of Penultimate Step of Histidine Biosynthesis in Plants. J.Biol.Chem. V. 291 9960 2016.
ISSN: ESSN 1083-351X
PubMed: 26994138
DOI: 10.1074/JBC.M115.708727