Calcium in PDB 2xzv: The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis

The structure of The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis, PDB code: 2xzv was solved by C.Schlicker, S.Jiyong, K.Forchhammer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.258 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	38.646, 151.436, 82.603, 90.00, 90.00, 90.00
R / Rfree (%)	20.98 / 24.16

The structure of The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis (pdb code 2xzv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis, PDB code: 2xzv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1241 b:22.3 occ:1.00 OD2 A:ASP34 2.5 19.0 1.0 O A:HOH2050 2.5 23.8 1.0 O A:HOH2098 2.5 31.3 1.0 O A:HOH2028 2.5 20.5 1.0 O A:HOH2030 2.5 22.0 1.0 O A:HOH2096 2.6 20.3 1.0 O A:HOH2051 2.7 20.8 1.0 CG A:ASP34 3.4 18.9 1.0 OD1 A:ASP34 3.6 19.4 1.0 CA A:CA1242 3.9 21.3 1.0 OD2 A:ASP231 4.0 26.8 1.0 O A:HOH2069 4.0 30.1 1.0 O A:HOH2029 4.1 22.0 1.0 O A:HOH2015 4.1 16.8 1.0 O A:HOH2027 4.2 16.3 1.0 O A:HOH2004 4.4 35.3 1.0 O A:HOH2010 4.4 29.4 1.0 O A:HOH2097 4.4 30.9 1.0 OD1 A:ASP119 4.5 19.8 1.0 OD2 A:ASP119 4.6 22.5 1.0 CB A:ALA193 4.7 20.3 1.0 CB A:ASP34 4.7 16.9 1.0

Calcium binding site 2 out of 2 in the The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Cyanobacterial PP2C-Like Phosphatase Tppha Requires Three Metals in the Catalytic Center For Efficient Catalysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1242 b:21.3 occ:1.00 O A:HOH2096 2.4 20.3 1.0 O A:GLY35 2.4 23.2 1.0 O A:HOH2099 2.5 22.0 1.0 OD1 A:ASP34 2.5 19.4 1.0 O A:HOH2014 2.6 25.6 1.0 O A:HOH2030 2.6 22.0 1.0 O A:HOH2004 2.7 35.3 1.0 C A:GLY35 3.6 25.5 1.0 CG A:ASP34 3.7 18.9 1.0 CA A:CA1241 3.9 22.3 1.0 OD2 A:ASP34 4.1 19.0 1.0 N A:GLY35 4.3 17.7 1.0 O A:HOH2010 4.3 29.4 1.0 O A:HOH2098 4.4 31.3 1.0 O A:HOH2029 4.4 22.0 1.0 O A:HOH2015 4.4 16.8 1.0 ND2 A:ASN232 4.5 17.7 1.0 C A:ASP34 4.5 17.8 1.0 CA A:GLY35 4.5 21.2 1.0 OD1 A:ASP18 4.6 19.1 1.0 N A:MET36 4.6 29.0 1.0 CB A:GLN17 4.6 26.1 1.0 CA A:MET36 4.7 31.7 1.0 OE1 A:GLN17 4.7 29.2 1.0 OD1 A:ASP231 4.7 23.1 1.0 O A:HOH2011 4.8 28.9 1.0 O A:ASP34 4.8 18.9 1.0 CB A:MET36 4.9 28.5 1.0 OD2 A:ASP231 4.9 26.8 1.0 CB A:ASP34 4.9 16.9 1.0

J.Su, C.Schlicker, K.Forchhammer. A Third Metal Is Required For Catalytic Activity of the Signal-Transducing Protein Phosphatase M Tppha. J.Biol.Chem. V. 286 13481 2011.
ISSN: ISSN 0021-9258
PubMed: 21310952
DOI: 10.1074/JBC.M109.036467