Calcium 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:

Fluorine

(F)

1 atom

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

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Orally Available FACTOR7A Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca1260 b:26.1 occ:1.00 OE1 H:GLU70 2.3 18.7 1.0 O H:GLU75 2.5 16.9 1.0 O H:ASP72 2.6 15.4 1.0 OE2 H:GLU80 2.6 17.4 1.0 O H:HOH2122 3.1 23.6 1.0 O H:HOH2139 3.2 27.0 1.0 CD H:GLU70 3.3 15.4 1.0 H H:ASP72 3.4 14.4 1.0 HG3 H:GLU75 3.5 17.8 1.0 H H:HIS71 3.5 14.4 1.0 HG2 H:GLU80 3.5 14.2 1.0 C H:ASP72 3.6 14.8 1.0 HA H:HIS76 3.6 15.2 1.0 C H:GLU75 3.6 16.0 1.0 CD H:GLU80 3.6 14.6 1.0 O H:HOH2121 3.6 14.5 1.0 OE2 H:GLU70 3.7 17.5 1.0 HG2 H:GLU75 3.8 17.8 1.0 H H:GLU75 3.8 16.2 1.0 HG3 H:GLU80 3.9 14.2 1.0 CG H:GLU80 3.9 14.1 1.0 N H:ASP72 3.9 14.5 1.0 H H:ASP77 4.0 15.2 1.0 HA H:LEU73 4.1 15.6 1.0 CG H:GLU75 4.1 18.1 1.0 HB3 H:ASP72 4.1 15.2 1.0 HA H:GLU70 4.2 14.1 1.0 CA H:ASP72 4.3 14.9 1.0 CA H:HIS76 4.3 15.4 1.0 N H:HIS71 4.3 14.7 1.0 N H:HIS76 4.4 14.9 1.0 N H:LEU73 4.5 14.9 1.0 N H:GLU75 4.5 16.0 1.0 CA H:GLU75 4.5 16.4 1.0 N H:ASP77 4.5 15.1 1.0 HB3 H:HIS71 4.6 14.6 1.0 CA H:LEU73 4.7 15.6 1.0 CG H:GLU70 4.7 15.6 1.0 HG3 H:GLU70 4.7 15.1 1.0 CB H:ASP72 4.7 15.0 1.0 OE1 H:GLU80 4.7 14.4 1.0 OD1 H:ASP77 4.8 13.3 1.0 O H:HOH2136 4.8 21.4 1.0 C H:HIS71 4.8 13.6 1.0 C H:HIS76 4.8 15.3 1.0 CG H:ASP77 4.9 15.0 1.0 OD2 H:ASP77 4.9 18.8 1.0 CB H:GLU75 4.9 17.2 1.0 O H:HOH2141 5.0 33.0 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