Magnesium in PDB 1u7p: X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily

The structure of X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily, PDB code: 1u7p was solved by E.Peisach, J.D.Selengut, D.Dunaway-Mariano, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.58 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.524, 57.651, 76.621, 90.00, 91.97, 90.00
R / Rfree (%)	19 / 23.6

The structure of X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily also contains other interesting chemical elements:

Tungsten

(W)

2 atoms

The binding sites of Magnesium atom in the X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily (pdb code 1u7p). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily, PDB code: 1u7p:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:25.5 occ:1.00 OD2 A:ASP11 2.2 19.7 1.0 OD1 A:ASP123 2.3 22.0 1.0 O A:HOH533 2.3 14.2 1.0 O A:ASP13 2.3 15.4 1.0 O A:HOH564 2.3 23.7 1.0 O1 A:WO4505 2.6 0.8 0.5 CG A:ASP11 3.1 17.5 1.0 CG A:ASP123 3.2 21.2 1.0 OD1 A:ASP11 3.4 18.4 1.0 C A:ASP13 3.4 17.4 1.0 OD2 A:ASP123 3.5 20.5 1.0 CB A:ASP13 4.0 17.6 1.0 W A:WO4505 4.0 0.1 0.5 CA A:ASP13 4.1 16.5 1.0 O A:HOH518 4.2 20.6 1.0 N A:ASP13 4.2 17.7 1.0 OD1 A:ASP122 4.2 16.4 1.0 OG1 A:THR15 4.3 17.4 1.0 O A:HOH571 4.3 29.5 1.0 O3 A:WO4505 4.4 0.8 0.5 CB A:TYR14 4.4 17.5 1.0 N A:TYR14 4.4 15.6 1.0 CB A:ASP11 4.5 18.1 1.0 N A:ASP123 4.6 16.4 1.0 CB A:ASP123 4.6 19.8 1.0 CG A:GLU124 4.6 21.5 1.0 O2 A:WO4505 4.6 0.0 0.5 O A:HOH547 4.7 31.5 1.0 CA A:TYR14 4.7 17.0 1.0 CG A:ASP122 4.8 17.2 1.0 C A:TYR14 4.8 18.5 1.0 C A:LEU12 4.9 16.1 1.0 OD2 A:ASP122 4.9 17.2 1.0 N A:GLU124 5.0 19.8 1.0 N A:THR15 5.0 17.9 1.0

Magnesium binding site 2 out of 4 in the X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:38.8 occ:1.00 OD2 B:ASP11 2.5 27.3 1.0 O B:HOH597 2.5 28.0 1.0 O B:ASP13 2.5 23.7 1.0 CB B:ASP123 2.9 23.8 1.0 N B:ASP123 3.2 22.1 1.0 CG B:ASP11 3.5 23.9 1.0 CA B:ASP123 3.5 24.1 1.0 OD1 B:ASP122 3.6 20.4 1.0 C B:ASP13 3.6 24.3 1.0 OG1 B:THR15 3.7 23.0 1.0 N B:GLU124 4.0 25.0 1.0 CB B:ASP11 4.0 22.5 1.0 CG B:ASP123 4.1 25.8 1.0 C B:ASP123 4.1 24.2 1.0 CG B:ASP122 4.2 20.4 1.0 CG B:GLU124 4.2 31.1 1.0 OD2 B:ASP123 4.3 26.8 1.0 O B:HOH605 4.3 37.6 1.0 CB B:TYR14 4.3 21.4 1.0 C B:ASP122 4.4 23.2 1.0 CB B:ASP13 4.4 22.2 1.0 CA B:ASP13 4.4 22.9 1.0 OD1 B:ASP11 4.5 24.2 1.0 N B:TYR14 4.5 22.8 1.0 C B:TYR14 4.6 21.1 1.0 OD2 B:ASP122 4.6 22.0 1.0 N B:ASP13 4.6 22.0 1.0 CA B:ASP122 4.7 20.2 1.0 CA B:TYR14 4.7 21.5 1.0 O B:TYR14 4.7 22.0 1.0 N B:THR15 4.8 21.5 1.0 CB B:THR15 4.9 21.5 1.0 O B:HOH549 4.9 24.5 1.0 CB B:GLU124 5.0 26.3 1.0

Magnesium binding site 3 out of 4 in the X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg503 b:26.3 occ:1.00 OD1 C:ASP123 2.2 25.8 1.0 O C:ASP13 2.3 24.3 1.0 OD2 C:ASP11 2.3 19.1 1.0 O C:HOH584 2.3 20.8 1.0 O C:HOH550 2.3 14.0 1.0 O3 C:WO4506 2.5 37.0 0.5 CG C:ASP123 3.1 25.5 1.0 CG C:ASP11 3.2 21.7 1.0 OD2 C:ASP123 3.4 22.9 1.0 C C:ASP13 3.4 22.9 1.0 OD1 C:ASP11 3.4 20.0 1.0 W C:WO4506 3.9 47.2 0.5 CB C:ASP13 4.0 22.5 1.0 CA C:ASP13 4.1 24.2 1.0 OG1 C:THR15 4.2 16.0 1.0 N C:ASP13 4.2 21.6 1.0 CB C:TYR14 4.2 21.3 1.0 OD1 C:ASP122 4.3 19.6 1.0 O C:HOH515 4.3 28.5 1.0 O C:HOH560 4.3 34.4 1.0 O1 C:WO4506 4.4 38.8 0.5 N C:TYR14 4.4 23.0 1.0 CB C:ASP123 4.5 23.5 1.0 CB C:ASP11 4.5 19.6 1.0 O4 C:WO4506 4.5 40.0 0.5 N C:ASP123 4.6 21.8 1.0 CA C:TYR14 4.7 21.0 1.0 CG C:GLU124 4.8 29.7 1.0 C C:TYR14 4.8 22.0 1.0 C C:LEU12 4.9 22.1 1.0 O2 C:WO4506 4.9 42.9 0.5 N C:THR15 4.9 20.2 1.0 CG C:ASP122 4.9 19.7 1.0 N C:GLU124 4.9 26.6 1.0 CA C:ASP123 5.0 23.3 1.0

Magnesium binding site 4 out of 4 in the X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg504 b:49.3 occ:1.00 OD2 D:ASP11 2.3 32.9 1.0 O D:HOH562 2.5 22.7 1.0 O D:ASP13 2.6 21.6 1.0 CB D:ASP123 2.8 28.6 1.0 N D:ASP123 3.1 22.8 1.0 CA D:ASP123 3.4 26.2 1.0 CG D:ASP11 3.4 27.9 1.0 OD1 D:ASP122 3.7 20.7 1.0 C D:ASP13 3.8 23.0 1.0 OG1 D:THR15 3.8 23.3 1.0 CG D:ASP123 3.8 34.8 1.0 OD1 D:ASP123 3.9 35.9 1.0 C D:ASP123 3.9 26.1 1.0 N D:GLU124 3.9 24.6 1.0 CB D:TYR14 4.2 21.9 1.0 CB D:ASP11 4.2 22.6 1.0 O D:HOH550 4.2 36.5 1.0 CG D:GLU124 4.2 30.2 1.0 CG D:ASP122 4.3 19.4 1.0 C D:ASP122 4.3 21.2 1.0 OD1 D:ASP11 4.4 30.9 1.0 CB D:ASP13 4.6 22.6 1.0 C D:TYR14 4.6 23.9 1.0 CA D:ASP13 4.6 21.8 1.0 N D:TYR14 4.6 22.2 1.0 CA D:TYR14 4.7 23.8 1.0 OD2 D:ASP122 4.7 18.7 1.0 CA D:ASP122 4.7 19.8 1.0 O D:TYR14 4.7 26.3 1.0 O D:ASP123 4.8 25.1 1.0 N D:ASP13 4.8 22.3 1.0 CB D:GLU124 4.9 27.4 1.0 OE1 D:GLU124 4.9 33.7 1.0 CA D:GLU124 5.0 25.3 1.0 N D:THR15 5.0 24.8 1.0 OD2 D:ASP123 5.0 35.5 1.0

E.Peisach, J.D.Selengut, D.Dunaway-Mariano, K.N.Allen. X-Ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase Mdp-1 of the Haloacid Dehalogenase Superfamily Biochemistry V. 43 12770 2004.
ISSN: ISSN 0006-2960
PubMed: 15461449
DOI: 10.1021/BI0490688