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Chlorine in PDB 5i8a: Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One
Enzymatic activity of Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One
All present enzymatic activity of Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One, PDB code: 5i8a
was solved by
H.P.Su,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 21.30 / 2.33 |
| Space group | P 64 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.884, 75.884, 112.712, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 17.8 / 20.9 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One
(pdb code 5i8a). 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 Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One, PDB code: 5i8a:
In total only one binding site of Chlorine was determined in the Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One, PDB code: 5i8a:
Chlorine binding site 1 out of 1 in 5i8a
Go back to
Chlorine Binding Sites List in 5i8a
Chlorine binding site 1 out
of 1 in the Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One
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 Trka with (6~{R})-3-Methylsulfanyl-6-Phenyl-1-(1~{H}-Pyrazol-3-Yl)-6, 7-Dihydro-5~{H}-Thieno[3,4-C]Pyridin-4-One within 5.0Å range:
|
Reference:
T.J.Greshock,
J.M.Sanders,
R.E.Drolet,
H.A.Rajapakse,
R.K.Chang,
B.Kim,
V.L.Rada,
H.E.Tiscia,
H.Su,
M.T.Lai,
S.M.Sur,
R.I.Sanchez,
M.T.Bilodeau,
J.J.Renger,
J.T.Kern,
J.A.Mccauley.
Potent, Selective and Orally Bioavailable Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors. Bioorg. Med. Chem. Lett. V. 26 2631 2016.
ISSN: ESSN 1464-3405
PubMed: 27106707
DOI: 10.1016/J.BMCL.2016.04.021
Page generated: Fri Jul 26 09:13:02 2024
ISSN: ESSN 1464-3405
PubMed: 27106707
DOI: 10.1016/J.BMCL.2016.04.021
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