Fluorine in PDB 2bz6: Orally Available FACTOR7A Inhibitor

All present enzymatic activity of Orally Available FACTOR7A Inhibitor:
3.4.21.21;

The structure of Orally Available FACTOR7A Inhibitor, PDB code: 2bz6 was solved by K.Groebke-Zbinden, U.Obst-Sander, K.Hilpert, H.Kuehne, D.W.Banner, H.J.Boehm, M.Stahl, J.Ackermann, L.Alig, L.Weber, H.P.Wessel, M.A.Riederer, T.B.Tschopp, T.Lave, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.32 / 1.6
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.930, 94.930, 115.640, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.3

The structure of Orally Available FACTOR7A Inhibitor also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Fluorine atom in the Orally Available FACTOR7A Inhibitor (pdb code 2bz6). 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 Orally Available FACTOR7A Inhibitor, PDB code: 2bz6:

Fluorine binding site 1 out of 1 in the Orally Available FACTOR7A Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Orally Available FACTOR7A Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ H:F1258 b:20.7 occ:1.00 F30 H:3461258 0.0 20.7 1.0 C12 H:3461258 1.3 19.5 1.0 C13 H:3461258 2.3 20.0 1.0 H14 H:3461258 2.4 17.6 1.0 C11 H:3461258 2.4 17.9 1.0 H2 H:3461258 2.6 16.2 1.0 O25 H:3461258 2.6 21.9 1.0 C14 H:3461258 2.9 18.1 1.0 O H:HOH2340 3.0 22.2 1.0 O H:HOH2398 3.0 29.1 1.0 O H:HOH2119 3.3 29.5 1.0 O H:HOH2322 3.4 40.5 1.0 O H:HOH2397 3.4 36.4 1.0 O H:HOH2399 3.4 44.2 1.0 C2 H:3461258 3.5 15.8 1.0 C8 H:3461258 3.6 19.4 1.0 C10 H:3461258 3.6 17.2 1.0 O2 H:3461258 3.8 21.6 1.0 C15 H:3461258 3.9 18.6 1.0 N3 H:3461258 3.9 15.2 1.0 C26 H:3461258 4.0 24.0 1.0 O H:GLY216 4.0 15.5 1.0 C9 H:3461258 4.1 16.0 1.0 C1 H:3461258 4.2 16.5 1.0 HB3 H:LYS192 4.3 17.4 1.0 H311 H:3461258 4.3 25.0 1.0 H272 H:3461258 4.3 24.6 1.0 H H:GLY216 4.5 14.9 1.0 H8 H:3461258 4.5 18.9 1.0 H10 H:3461258 4.5 19.3 1.0 C3 H:3461258 4.5 15.9 1.0 H26 H:3461258 4.5 24.0 1.0 H3 H:3461258 4.5 15.9 1.0 H291 H:3461258 4.6 25.0 1.0 C27 H:3461258 4.7 25.0 1.0 H33 H:3461258 4.7 16.2 1.0 C31 H:3461258 4.7 25.0 1.0 HD3 H:LYS192 4.8 21.4 1.0 H H:GLY219 4.9 17.2 1.0 O H:HOH2325 4.9 37.0 1.0 HB2 H:LYS192 4.9 17.4 1.0 HB2 H:TRP215 5.0 15.2 1.0

K.Groebke-Zbinden, D.W.Banner, K.Hilpert, J.Himber, T.Lave, M.A.Riederer, M.Stahl, T.B.Tschopp, U.Obst-Sander. Dose-Dependant Antithrombotic Activity of An Orally Active Tissue Factor/Factor Viia Inhibitor Without Concomitant Enhancement of Bleeding Propensity. Bioorg.Med.Chem. V. 14 5357 2006.
ISSN: ISSN 0968-0896
PubMed: 16621574
DOI: 10.1016/J.BMC.2006.03.042