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Atomistry » Fluorine » PDB 7ugx-7v5c » 7v18 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 7ugx-7v5c » 7v18 » |
Fluorine in PDB 7v18: Factor Xia in Complex with Compound 3FEnzymatic activity of Factor Xia in Complex with Compound 3F
All present enzymatic activity of Factor Xia in Complex with Compound 3F:
3.4.21.27; Protein crystallography data
The structure of Factor Xia in Complex with Compound 3F, PDB code: 7v18
was solved by
P.L.Shaffer,
C.M.Milligan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 7v18:
The structure of Factor Xia in Complex with Compound 3F also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Factor Xia in Complex with Compound 3F
(pdb code 7v18). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Factor Xia in Complex with Compound 3F, PDB code: 7v18: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 7v18Go back to Fluorine Binding Sites List in 7v18
Fluorine binding site 1 out
of 3 in the Factor Xia in Complex with Compound 3F
Mono view Stereo pair view
Fluorine binding site 2 out of 3 in 7v18Go back to Fluorine Binding Sites List in 7v18
Fluorine binding site 2 out
of 3 in the Factor Xia in Complex with Compound 3F
Mono view Stereo pair view
Fluorine binding site 3 out of 3 in 7v18Go back to Fluorine Binding Sites List in 7v18
Fluorine binding site 3 out
of 3 in the Factor Xia in Complex with Compound 3F
Mono view Stereo pair view
Reference:
G.Xu,
Z.Liu,
X.Wang,
T.Lu,
R.L.Desjarlais,
T.Thieu,
J.Zhang,
Z.H.Devine,
F.Du,
Q.Li,
C.M.Milligan,
P.Shaffer,
P.E.Cedervall,
J.C.Spurlino,
C.F.Stratton,
B.Pietrak,
L.M.Szewczuk,
V.Wong,
R.A.Steele,
W.Bruinzeel,
M.Chintala,
J.Silva,
M.D.Gaul,
M.J.Macielag,
R.Nargund.
Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor Xia Inhibitors Through Exploiting Nonclassical Interactions. J.Med.Chem. V. 65 10419 2022.
Page generated: Fri Aug 2 14:24:02 2024
ISSN: ISSN 0022-2623 PubMed: 35862732 DOI: 10.1021/ACS.JMEDCHEM.2C00442 |
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