Calcium in PDB 2v3o: Thrombin with 3-Cycle with F

All present enzymatic activity of Thrombin with 3-Cycle with F:
3.4.21.5;

The structure of Thrombin with 3-Cycle with F, PDB code: 2v3o was solved by D.W.Banner, H.P.Wessel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.07 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.610, 71.820, 72.280, 90.00, 100.60, 90.00
R / Rfree (%)	17.6 / 21.2

The structure of Thrombin with 3-Cycle with F also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Thrombin with 3-Cycle with F (pdb code 2v3o). 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 with 3-Cycle with F, PDB code: 2v3o:

Calcium binding site 1 out of 1 in the Thrombin with 3-Cycle with F


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thrombin with 3-Cycle with F within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca1249 b:22.7 occ:1.00 O H:HOH2238 2.5 25.5 1.0 O H:THR172 2.6 19.9 1.0 O H:LYS169 2.6 20.8 1.0 O H:HOH2237 2.8 22.9 1.0 O H:HOH2104 3.2 47.8 1.0 C H:LYS169 3.7 21.6 1.0 C H:THR172 3.8 20.9 1.0 CA H:ASP170 4.3 20.6 1.0 N H:ASP170 4.4 20.4 1.0 CA H:ARG173 4.5 20.8 1.0 N H:ARG173 4.6 20.6 1.0 N H:THR172 4.6 20.8 1.0 CA H:LYS169 4.7 21.8 1.0 O H:HOH2245 4.7 32.3 1.0 C H:ASP170 4.7 20.3 1.0 CA H:THR172 4.9 20.4 1.0 OD1 H:ASP170 4.9 24.8 1.0 CB H:LYS169 4.9 22.1 1.0 O H:HOH2251 5.0 23.2 1.0 C H:ARG173 5.0 21.9 1.0

K.Mueller, C.Faeh, F.Diederich. Fluorine in Pharmaceuticals: Looking Beyond Intuition. Science V. 317 1881 2007.
ISSN: ISSN 0036-8075
PubMed: 17901324
DOI: 10.1126/SCIENCE.1131943