Calcium in PDB 2q16: Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp

All present enzymatic activity of Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp:
3.6.1.19;

The structure of Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp, PDB code: 2q16 was solved by A.U.Singer, R.Lam, M.Proudfoot, T.Skarina, A.Savchenko, A.F.Yakunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.98 / 1.95
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	120.646, 120.646, 66.562, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.8

The structure of Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

The binding sites of Calcium atom in the Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp (pdb code 2q16). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp, PDB code: 2q16:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca200 b:34.8 occ:1.00 O A:HOH6455 2.1 45.4 1.0 O A:HOH6450 2.1 43.4 1.0 OE2 A:GLU41 2.3 51.4 1.0 O2B A:ITT6246 2.3 26.1 1.0 O1A A:ITT6246 2.4 22.4 1.0 O2G A:ITT6246 2.5 21.3 1.0 PB A:ITT6246 3.3 23.9 1.0 O3A A:ITT6246 3.3 24.7 1.0 CD A:GLU41 3.4 49.6 1.0 PA A:ITT6246 3.4 20.5 1.0 PG A:ITT6246 3.7 21.1 1.0 O3B A:ITT6246 3.7 20.9 1.0 OE1 A:GLU41 3.8 54.8 1.0 NZ A:LYS53 4.1 25.1 1.0 O A:HOH6374 4.3 42.6 1.0 O5' A:ITT6246 4.4 20.1 1.0 O2A A:ITT6246 4.4 19.4 1.0 O3G A:ITT6246 4.5 21.5 1.0 CG A:GLU41 4.6 46.6 1.0 CB A:ALA86 4.6 23.0 1.0 O1B A:ITT6246 4.7 28.9 1.0 CD A:LYS53 4.8 29.2 1.0 O1G A:ITT6246 4.8 21.9 1.0 NA A:NA202 4.9 29.2 1.0 O A:HOH6274 4.9 38.7 1.0

Calcium binding site 2 out of 2 in the Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the E. Coli Inosine Triphosphate Pyrophosphatase Rgdb in Complex with Itp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca200 b:43.6 occ:1.00 O B:HOH347 2.3 38.5 1.0 O2B B:ITT203 2.3 25.5 1.0 OE2 B:GLU41 2.4 47.7 1.0 O1A B:ITT203 2.5 22.1 1.0 O2G B:ITT203 2.6 22.5 1.0 OE1 B:GLU41 2.8 48.7 1.0 CD B:GLU41 2.9 47.1 1.0 PB B:ITT203 3.3 25.2 1.0 PA B:ITT203 3.4 20.6 1.0 O3A B:ITT203 3.4 25.6 1.0 PG B:ITT203 3.8 22.6 1.0 O3B B:ITT203 3.8 24.2 1.0 O B:HOH364 4.0 39.2 1.0 NZ B:LYS53 4.1 22.6 1.0 O B:HOH208 4.3 29.8 1.0 CG B:GLU41 4.4 44.0 1.0 O5' B:ITT203 4.4 22.7 1.0 O2A B:ITT203 4.5 17.9 1.0 O3G B:ITT203 4.5 23.6 1.0 O1B B:ITT203 4.7 28.8 1.0 CB B:ALA86 4.8 24.2 1.0 CD B:LYS53 4.9 24.6 1.0 O1G B:ITT203 5.0 23.1 1.0 O B:HOH360 5.0 36.7 1.0

A.Savchenko, M.Proudfoot, T.Skarina, A.Singer, O.Litvinova, R.Sanishvili, G.Brown, N.Chirgadze, A.F.Yakunin. Molecular Basis of the Antimutagenic Activity of the House-Cleaning Inosine Triphosphate Pyrophosphatase Rdgb From Escherichia Coli. J.Mol.Biol. V. 374 1091 2007.
ISSN: ISSN 0022-2836
PubMed: 17976651
DOI: 10.1016/J.JMB.2007.10.012