Fluorine 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:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Fluorine atom in the Thrombin with 3-Cycle with F (pdb code 2v3o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Thrombin with 3-Cycle with F, PDB code: 2v3o:

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Thrombin with 3-Cycle with F within 5.0Å range: probe atom residue distance (Å) B Occ H:F1246 b:17.0 occ:1.00 F20 H:I261246 0.0 17.0 1.0 C8 H:I261246 1.4 16.5 1.0 C7 H:I261246 2.3 19.1 1.0 C11 H:I261246 2.4 16.8 1.0 O23 H:I261246 2.6 18.1 1.0 C13 H:I261246 2.9 16.2 1.0 N14 H:I261246 3.2 16.9 1.0 C30 H:I261246 3.3 33.0 1.0 CB H:TRP215 3.4 22.1 1.0 O H:GLY216 3.4 22.8 1.0 O H:HOH2293 3.4 27.1 1.0 N H:GLY216 3.5 23.4 1.0 C1 H:I261246 3.6 14.9 1.0 C12 H:I261246 3.6 16.2 1.0 CA H:TRP215 3.6 22.7 1.0 C9 H:I261246 3.6 16.5 1.0 C6 H:I261246 3.7 16.0 1.0 O H:HOH2327 3.8 23.1 1.0 C24 H:I261246 4.0 22.1 1.0 C10 H:I261246 4.1 16.4 1.0 C H:TRP215 4.1 23.2 1.0 N29 H:I261246 4.3 31.0 1.0 C15 H:I261246 4.3 19.6 1.0 C H:GLY216 4.3 22.9 1.0 C2 H:I261246 4.5 16.7 1.0 C28 H:I261246 4.5 28.0 1.0 CA H:GLY216 4.5 23.2 1.0 O H:SER214 4.6 23.4 1.0 O17 H:I261246 4.6 19.8 1.0 CG H:TRP215 4.7 20.6 1.0 C4 H:I261246 4.7 16.0 1.0 C25 H:I261246 4.7 24.2 1.0 N H:TRP215 4.9 22.4 1.0 C26 H:I261246 4.9 22.4 1.0 CE3 H:TRP215 5.0 22.1 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