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Chlorine in PDB 4yth: Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases
Enzymatic activity of Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases
All present enzymatic activity of Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases:
2.7.10.2;
2.7.10.2;
Protein crystallography data
The structure of Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases, PDB code: 4yth
was solved by
M.W.Ledeboer,
H.J.Zuccola,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 69.14 / 2.04 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 95.770, 99.930, 68.620, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.4 / 21.5 |
Other elements in 4yth:
The structure of Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases also contains other interesting chemical elements:
| Fluorine | (F) | 4 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases
(pdb code 4yth). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases, PDB code: 4yth:
In total only one binding site of Chlorine was determined in the Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases, PDB code: 4yth:
Chlorine binding site 1 out of 1 in 4yth
Go back to
Chlorine Binding Sites List in 4yth
Chlorine binding site 1 out
of 1 in the Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase (Jak) 3 Inhibitor For the Treatment of Autoimmune Diseases within 5.0Å range:
|
Reference:
L.J.Farmer,
M.W.Ledeboer,
T.Hoock,
M.J.Arnost,
R.S.Bethiel,
Y.L.Bennani,
J.J.Black,
C.L.Brummel,
A.Chakilam,
W.A.Dorsch,
B.Fan,
J.E.Cochran,
S.Halas,
E.M.Harrington,
J.K.Hogan,
D.Howe,
H.Huang,
D.H.Jacobs,
L.M.Laitinen,
S.Liao,
S.Mahajan,
V.Marone,
G.Martinez-Botella,
P.Mccarthy,
D.Messersmith,
M.Namchuk,
L.Oh,
M.S.Penney,
A.C.Pierce,
S.A.Raybuck,
A.Rugg,
F.G.Salituro,
K.Saxena,
D.Shannon,
D.Shlyakter,
L.Swenson,
S.K.Tian,
C.Town,
J.Wang,
T.Wang,
M.W.Wannamaker,
R.J.Winquist,
H.J.Zuccola.
Discovery of Vx-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor For the Treatment of Autoimmune Diseases. J.Med.Chem. V. 58 7195 2015.
ISSN: ISSN 0022-2623
PubMed: 26230873
DOI: 10.1021/ACS.JMEDCHEM.5B00301
Page generated: Sat Dec 12 11:26:22 2020
ISSN: ISSN 0022-2623
PubMed: 26230873
DOI: 10.1021/ACS.JMEDCHEM.5B00301
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