Calcium in PDB 2uuj: Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution

All present enzymatic activity of Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution:
3.4.21.5;

The structure of Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution, PDB code: 2uuj was solved by H.U.Ahmed, M.P.Blakeley, M.Cianci, D.W.J.Cruickshank, J.A.Hubbard, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.78 / 1.32
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.049, 71.580, 72.052, 90.00, 100.31, 90.00
R / Rfree (%)	15.3 / 21.1

The structure of Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution (pdb code 2uuj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution, PDB code: 2uuj:

Calcium binding site 1 out of 1 in the Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thrombin-Hirugen-GW473178 Ternary Complex at 1.32A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1249 b:23.7 occ:1.00 O B:THR172 2.2 16.3 1.0 O B:LYS169 2.3 17.1 1.0 O B:HOH2200 2.9 29.4 1.0 C B:LYS169 3.4 16.5 1.0 C B:THR172 3.5 15.2 1.0 CA B:ASP170 4.0 17.2 1.0 N B:THR172 4.2 15.3 1.0 N B:ASP170 4.2 15.7 1.0 CG B:LYS169 4.2 24.2 0.5 CA B:ARG173 4.3 16.7 1.0 N B:ARG173 4.3 15.8 1.0 C B:ASP170 4.3 16.9 1.0 CG B:LYS169 4.4 24.2 0.5 CA B:THR172 4.5 15.7 1.0 CA B:LYS169 4.5 17.1 1.0 OD1 B:ASP170 4.7 24.6 1.0 O B:HOH2199 4.7 33.4 1.0 N B:SER171 4.7 17.0 1.0 O B:ASP170 4.8 17.6 1.0 CG2 B:THR172 4.8 17.7 1.0 C B:ARG173 4.9 16.9 1.0 NZ B:LYS169 4.9 34.0 0.5 CB B:LYS169 5.0 18.3 0.5 CB B:LYS169 5.0 18.7 0.5

H.U.Ahmed, M.P.Blakeley, M.Cianci, D.W.J.Cruickshank, J.A.Hubbard, J.R.Helliwell. The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D V. 63 906 2007.
ISSN: ISSN 0907-4449
PubMed: 17642517
DOI: 10.1107/S0907444907029976