Manganese in PDB 3zvu: Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid

All present enzymatic activity of Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid:
3.1.3.16;

The structure of Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid, PDB code: 3zvu was solved by K.Betz, F.Dupeux, J.Santiago, P.L.Rodriguez, J.A.Marquez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.29 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.480, 66.050, 172.390, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.6

The binding sites of Manganese atom in the Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid (pdb code 3zvu). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid, PDB code: 3zvu:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1506 b:25.4 occ:1.00 O B:HOH2022 2.1 25.4 1.0 OD1 B:ASP243 2.1 21.1 1.0 O B:GLY244 2.2 20.6 1.0 O B:HOH2035 2.2 25.2 1.0 O B:HOH2016 2.3 22.6 1.0 O A:HOH2037 2.3 23.2 1.0 CG B:ASP243 3.3 22.0 1.0 C B:GLY244 3.4 22.5 1.0 OD2 B:ASP243 3.7 20.8 1.0 MN B:MN1507 3.9 21.8 1.0 O B:HOH2034 3.9 26.0 1.0 N B:GLY244 3.9 19.8 1.0 O1 B:SO41508 4.1 32.1 1.0 C B:ASP243 4.2 21.1 1.0 CA B:GLY244 4.3 19.9 1.0 O B:HOH2037 4.3 20.5 1.0 N B:HIS245 4.3 22.3 1.0 OD1 B:ASP204 4.3 22.6 1.0 O B:HOH2023 4.4 26.2 1.0 ND2 B:ASN493 4.4 18.6 1.0 OE1 B:GLU203 4.4 26.3 1.0 CB B:GLU203 4.4 20.0 1.0 O B:ASP243 4.4 22.5 1.0 OD1 B:ASP492 4.5 19.7 1.0 CA B:HIS245 4.5 23.5 1.0 O3 B:SO41508 4.5 29.5 1.0 O B:HOH2017 4.5 27.1 1.0 CB B:ASP243 4.6 19.0 1.0 NH1 B:ARG199 4.7 33.8 1.0 CA B:ASP243 4.7 20.2 1.0 S B:SO41508 4.8 30.7 1.0 CB B:HIS245 4.8 22.9 1.0 O B:GLU203 4.9 23.8 1.0 C B:GLU203 4.9 24.7 1.0

Manganese binding site 2 out of 2 in the Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the PYR1 HIS60PRO Mutant in Complex with the HAB1 Phosphatase and Abscisic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1507 b:21.8 occ:1.00 OD1 B:ASP432 2.0 22.5 1.0 OD2 B:ASP243 2.1 20.8 1.0 OD2 B:ASP492 2.2 22.2 1.0 O B:HOH2037 2.2 20.5 1.0 O B:HOH2023 2.2 26.2 1.0 O B:HOH2016 2.3 22.6 1.0 CG B:ASP492 3.1 21.6 1.0 CG B:ASP432 3.1 22.9 1.0 CG B:ASP243 3.1 22.0 1.0 OD1 B:ASP492 3.3 19.7 1.0 OD1 B:ASP243 3.4 21.1 1.0 OD2 B:ASP432 3.5 26.1 1.0 MN B:MN1506 3.9 25.4 1.0 O1 B:SO41508 3.9 32.1 1.0 O B:HOH2035 4.1 25.2 1.0 O B:HOH2038 4.1 28.9 1.0 O B:HOH2036 4.1 18.6 1.0 N B:GLY433 4.2 21.5 1.0 CB B:ASP432 4.4 24.3 1.0 O B:HOH2022 4.4 25.4 1.0 CB B:ASP492 4.4 21.3 1.0 CB B:ASP243 4.5 19.0 1.0 N B:ASP432 4.5 21.6 1.0 OD1 B:ASP204 4.5 22.6 1.0 O B:ASN493 4.6 21.1 1.0 C B:ASP432 4.7 21.3 1.0 CA B:ASP432 4.7 22.4 1.0 CB B:SER431 4.7 20.9 1.0 CA B:GLY433 5.0 23.8 1.0

F.Dupeux, J.Santiago, K.Betz, J.Twycross, S.Park, L.Rodriguez, M.Gonzalez-Guzman, M.R.Jensen, N.Krasnogor, M.Blackledge, M.Holdsworth, S.R.Cutler, P.L.Rodriguez, J.A.Marquez. A Thermodynamic Switch Modulates Abscisic Acid Receptor Sensitivity. Embo J. V. 30 4171 2011.
ISSN: ISSN 0261-4189
PubMed: 21847091
DOI: 10.1038/EMBOJ.2011.294