Calcium in PDB 1jec: Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate

All present enzymatic activity of Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate:
2.7.7.4;

The structure of Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate, PDB code: 1jec was solved by T.C.Ullrich, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.34 / 2.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	186.688, 186.688, 115.900, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 23.6

The structure of Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate also contains other interesting chemical elements:

Cadmium	(Cd)	7 atoms
Magnesium	(Mg)	1 atom
Sodium	(Na)	3 atoms

The binding sites of Calcium atom in the Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate (pdb code 1jec). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate, PDB code: 1jec:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca517 b:54.8 occ:1.00 OD2 A:ASP151 2.5 46.5 1.0 OD1 A:ASP151 2.5 47.6 1.0 CG A:ASP151 2.8 46.1 1.0 O A:PHE146 4.2 41.5 1.0 CB A:ASP151 4.4 43.0 1.0 NZ A:LYS125 4.7 35.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca519 b:46.4 occ:1.00 OD2 A:ASP303 2.4 40.2 1.0 OD1 A:ASP303 2.8 39.0 1.0 CG A:ASP303 2.9 40.0 1.0 NZ A:LYS297 3.4 50.6 1.0 O A:HOH739 4.1 41.1 1.0 CE A:LYS297 4.3 50.0 1.0 CB A:ASP303 4.4 38.8 1.0 O A:HOH692 4.6 39.6 1.0 O A:HOH647 4.6 33.6 1.0 CD A:PRO307 4.8 35.0 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Atp Sulfurylase in Complex with Thiosulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca520 b:28.9 occ:1.00 OD1 A:ASP489 1.9 36.6 1.0 O A:HOH615 2.1 37.6 1.0 O A:HOH603 2.2 51.6 1.0 O A:HOH856 2.2 55.1 1.0 CG A:ASP489 3.1 35.2 1.0 OD2 A:ASP489 3.6 34.6 1.0 CB A:ASP489 4.3 32.2 1.0 O A:HOH874 4.7 48.3 1.0

T.C.Ullrich, R.Huber. The Complex Structures of Atp Sulfurylase with Thiosulfate, Adp and Chlorate Reveal New Insights in Inhibitory Effects and the Catalytic Cycle. J.Mol.Biol. V. 313 1117 2001.
ISSN: ISSN 0022-2836
PubMed: 11700067
DOI: 10.1006/JMBI.2001.5098