Fluorine in PDB 1ygc: Short Factor Viia with A Small Molecule Inhibitor

All present enzymatic activity of Short Factor Viia with A Small Molecule Inhibitor:
3.4.21.21;

The structure of Short Factor Viia with A Small Molecule Inhibitor, PDB code: 1ygc was solved by A.G.Olivero, C.Eigenbrot, R.Goldsmith, K.Robarge, D.R.Artis, J.Flygare, T.Rawson, C.Refino, S.Bunting, D.Kirchhofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.15 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.220, 95.220, 116.320, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Short Factor Viia with A Small Molecule Inhibitor also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Fluorine atom in the Short Factor Viia with A Small Molecule Inhibitor (pdb code 1ygc). 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 Short Factor Viia with A Small Molecule Inhibitor, PDB code: 1ygc:

Fluorine binding site 1 out of 1 in the Short Factor Viia with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Short Factor Viia with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ H:F1 b:19.6 occ:1.00 F1 H:9051 0.0 19.6 1.0 C13 H:9051 1.3 19.9 1.0 C14 H:9051 2.4 22.4 1.0 C12 H:9051 2.4 16.0 1.0 O5 H:9051 2.8 23.9 1.0 C4 H:9051 2.9 17.5 1.0 O H:HOH536 3.0 22.5 1.0 O H:HOH867 3.1 27.2 1.0 O H:HOH1013 3.2 21.8 1.0 C2 H:9051 3.4 17.3 1.0 C17 H:9051 3.7 19.8 1.0 C21 H:9051 3.7 15.7 1.0 N2 H:9051 3.8 17.9 1.0 O H:GLY216 3.8 18.7 1.0 C5 H:9051 3.9 19.9 1.0 N1 H:9051 4.0 13.8 1.0 C3 H:9051 4.1 13.4 1.0 C18 H:9051 4.2 16.9 1.0 CG H:LYS192 4.3 35.3 1.0 C1 H:9051 4.3 14.3 1.0 C15 H:9051 4.3 26.7 1.0 O1 H:9051 4.3 19.3 1.0 CD H:LYS192 4.7 38.0 1.0 N H:GLY216 4.9 15.0 1.0 C H:GLY216 4.9 19.6 1.0

A.G.Olivero, C.Eigenbrot, R.Goldsmith, K.Robarge, D.R.Artis, J.Flygare, T.Rawson, D.P.Sutherlin, S.Kadkhodayan, M.Beresini, L.O.Elliott, G.G.Deguzman, D.W.Banner, M.Ultsch, U.Marzec, S.R.Hanson, C.Refino, S.Bunting, D.Kirchhofer. A Selective, Slow Binding Inhibitor of Factor Viia Binds to A Nonstandard Active Site Conformation and Attenuates Thrombus Formation in Vivo. J.Biol.Chem. V. 280 9160 2005.
ISSN: ISSN 0021-9258
PubMed: 15632123
DOI: 10.1074/JBC.M409068200