Calcium in PDB 5iti: A Cynobacterial PP2C (Tppha) Structure

The structure of A Cynobacterial PP2C (Tppha) Structure, PDB code: 5iti was solved by J.Y.Su, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.23 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	38.008, 153.823, 82.929, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27

The binding sites of Calcium atom in the A Cynobacterial PP2C (Tppha) Structure (pdb code 5iti). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the A Cynobacterial PP2C (Tppha) Structure, PDB code: 5iti:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the A Cynobacterial PP2C (Tppha) Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A Cynobacterial PP2C (Tppha) Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:32.9 occ:1.00 O A:HOH418 2.3 33.2 1.0 OD2 A:ASP231 2.4 32.8 1.0 O A:HOH416 2.5 29.9 1.0 O A:HOH420 2.5 25.6 1.0 OD2 A:ASP34 2.5 29.7 1.0 OD1 A:ASP193 2.6 23.8 1.0 OD1 A:ASP34 2.9 23.9 1.0 CG A:ASP34 3.1 25.8 1.0 CG A:ASP231 3.4 36.0 1.0 O A:HOH474 3.5 37.8 1.0 CA A:CA302 3.5 32.2 1.0 CG A:ASP193 3.5 29.6 1.0 OD1 A:ASP231 3.7 27.8 1.0 OD2 A:ASP193 3.8 31.1 1.0 O A:HOH443 4.1 27.6 1.0 O A:HOH439 4.3 29.2 1.0 O A:HOH467 4.4 41.6 1.0 N A:GLY194 4.4 25.8 1.0 CB A:ASP34 4.5 19.1 1.0 O A:ASN232 4.5 23.9 1.0 OD1 A:ASP18 4.5 24.4 1.0 O A:HOH426 4.6 20.6 1.0 CB A:ASP231 4.8 30.4 1.0 N A:ASP193 4.9 24.8 1.0 CB A:ASP193 4.9 24.1 1.0 C A:ASP193 5.0 27.7 1.0

Calcium binding site 2 out of 4 in the A Cynobacterial PP2C (Tppha) Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of A Cynobacterial PP2C (Tppha) Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:32.2 occ:1.00 O A:HOH443 2.2 27.6 1.0 O A:GLY35 2.3 29.9 1.0 O A:HOH416 2.4 29.9 1.0 OD1 A:ASP34 2.5 23.9 1.0 O A:HOH407 2.5 33.2 1.0 O A:HOH474 2.5 37.8 1.0 CA A:CA301 3.5 32.9 1.0 C A:GLY35 3.5 34.5 1.0 CG A:ASP34 3.6 25.8 1.0 N A:GLY35 4.1 27.3 1.0 OD2 A:ASP34 4.2 29.7 1.0 OE1 A:GLN17 4.2 47.4 1.0 CB A:GLN17 4.3 31.9 1.0 C A:ASP34 4.3 19.5 1.0 O A:HOH418 4.4 33.2 1.0 CA A:GLY35 4.4 27.1 1.0 O A:HOH450 4.4 26.4 1.0 O A:HOH420 4.5 25.6 1.0 OD1 A:ASP18 4.5 24.4 1.0 N A:MET36 4.5 36.4 1.0 OD1 A:ASN232 4.6 30.2 1.0 O A:ASP34 4.6 21.2 1.0 CA A:MET36 4.6 43.0 1.0 OD1 A:ASP231 4.7 27.8 1.0 CB A:ASP34 4.8 19.1 1.0 CB A:MET36 4.8 42.8 1.0 CA A:ASP34 4.8 23.0 1.0

Calcium binding site 3 out of 4 in the A Cynobacterial PP2C (Tppha) Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of A Cynobacterial PP2C (Tppha) Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:48.7 occ:1.00 O A:HOH427 2.3 42.0 1.0 O A:HOH437 2.4 41.9 1.0 OD2 A:ASP119 2.4 36.1 1.0 OD2 A:ASP193 2.5 31.1 1.0 CG A:ASP193 3.6 29.6 1.0 CG A:ASP119 3.6 34.4 1.0 CA A:HIS161 3.8 69.1 1.0 CB A:ASP193 4.1 24.1 1.0 O A:HOH418 4.2 33.2 1.0 O A:ARG160 4.3 57.2 1.0 O A:HIS161 4.3 61.2 1.0 OD1 A:ASP119 4.4 30.0 1.0 O A:HOH439 4.4 29.2 1.0 C A:HIS161 4.4 64.8 1.0 CB A:HIS161 4.5 62.3 1.0 CB A:ASP119 4.5 30.4 1.0 OE1 A:GLU197 4.5 47.1 1.0 N A:HIS161 4.6 66.0 1.0 OD1 A:ASP193 4.6 23.8 1.0 C A:ARG160 4.7 66.4 1.0 O A:HOH421 4.8 31.2 1.0 O A:HOH467 4.8 41.6 1.0

Calcium binding site 4 out of 4 in the A Cynobacterial PP2C (Tppha) Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of A Cynobacterial PP2C (Tppha) Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:55.3 occ:1.00 O A:HIS227 2.3 47.5 1.0 OE1 A:GLU198 2.6 42.5 1.0 O A:HOH445 2.7 48.0 1.0 O A:HOH455 2.8 47.6 1.0 O A:HOH487 2.9 57.6 1.0 O A:HOH486 3.1 57.3 1.0 C A:HIS227 3.5 43.9 1.0 CD A:GLU198 3.7 49.8 1.0 OE2 A:GLU198 4.1 44.0 1.0 CA A:GLY228 4.3 34.4 1.0 CB A:HIS227 4.3 43.3 1.0 N A:GLY228 4.3 36.7 1.0 CA A:HIS227 4.4 41.1 1.0 O A:HOH483 4.7 55.1 1.0 CA A:GLU198 5.0 35.5 1.0 CG A:GLU198 5.0 37.1 1.0

Y.Si, Y.Yuan, Y.Wang, J.Gao, Y.Hu, S.Feng, J.Y.Su. Structural and Biochemical Characterization of A Cyanobacterial PP2C Phosphatase Reveals Insights Into Catalytic Mechanism and Substrate Recognition Catalysts V. 6 60 2016.
ISSN: ESSN 2073-4344
DOI: 10.3390/CATAL6050060