Tungsten 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:

Magnesium

(Mg)

4 atoms

The binding sites of Tungsten 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 Tungsten atom.
In total 2 binding sites of Tungsten 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 Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 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 Tungsten with other atoms in the W 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:W505 b:0.1 occ:0.50 W A:WO4505 0.0 0.1 0.5 O1 A:WO4505 1.5 0.8 0.5 O3 A:WO4505 1.5 0.8 0.5 O4 A:WO4505 1.5 0.4 0.5 O2 A:WO4505 1.5 0.0 0.5 OD1 A:ASP11 2.8 18.4 1.0 O A:HOH571 3.2 29.5 1.0 OD2 A:ASP13 3.5 19.1 1.0 OG A:SER69 3.9 21.2 1.0 O A:HOH518 3.9 20.6 1.0 N A:ARG70 3.9 18.1 1.0 CG A:ASP11 3.9 17.5 1.0 MG A:MG501 4.0 25.5 1.0 NZ A:LYS100 4.1 16.1 1.0 CG A:ASP13 4.2 20.3 1.0 N A:ASP13 4.2 17.7 1.0 CA A:SER69 4.3 17.0 1.0 CB A:ASP13 4.3 17.6 1.0 OD2 A:ASP11 4.3 19.7 1.0 CB A:SER69 4.3 18.7 1.0 O A:HOH533 4.5 14.2 1.0 N A:THR71 4.6 21.1 1.0 N A:LEU12 4.6 16.0 1.0 C A:SER69 4.6 16.3 1.0 CE A:LYS100 4.6 13.8 1.0 CA A:ARG70 4.8 20.6 1.0 CB A:ARG70 4.8 23.4 1.0 CA A:ASP13 4.8 16.5 1.0

Tungsten binding site 2 out of 2 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 Tungsten with other atoms in the W 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 C:W506 b:47.2 occ:0.50 W C:WO4506 0.0 47.2 0.5 O3 C:WO4506 1.5 37.0 0.5 O2 C:WO4506 1.5 42.9 0.5 O4 C:WO4506 1.5 40.0 0.5 O1 C:WO4506 1.5 38.8 0.5 OD1 C:ASP11 2.7 20.0 1.0 O C:HOH560 3.3 34.4 1.0 OD2 C:ASP13 3.7 24.0 1.0 OG C:SER69 3.7 19.6 1.0 CG C:ASP11 3.8 21.7 1.0 MG C:MG503 3.9 26.3 1.0 N C:ASP13 3.9 21.6 1.0 N C:ARG70 3.9 22.0 1.0 CB C:ASP13 4.0 22.5 1.0 O C:HOH515 4.1 28.5 1.0 NZ C:LYS100 4.1 22.2 1.0 CG C:ASP13 4.1 24.7 1.0 OD2 C:ASP11 4.2 19.1 1.0 N C:LEU12 4.3 19.9 1.0 CA C:SER69 4.3 19.6 1.0 CB C:SER69 4.3 20.5 1.0 O C:HOH550 4.5 14.0 1.0 CA C:ASP13 4.5 24.2 1.0 C C:SER69 4.7 19.7 1.0 N C:THR71 4.7 22.5 1.0 O C:ASP13 4.7 24.3 1.0 CE C:LYS100 4.8 20.0 1.0 CB C:ARG70 4.8 25.6 1.0 C C:LEU12 4.8 22.1 1.0 CA C:ARG70 4.9 24.3 1.0 CA C:LEU12 4.9 20.7 1.0 CB C:LEU12 4.9 19.8 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