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Fluorine in PDB 5tq8: Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin

Enzymatic activity of Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin

All present enzymatic activity of Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin:
2.7.10.2;

Protein crystallography data

The structure of Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin, PDB code: 5tq8 was solved by J.Chrencik, P.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.69 / 1.59
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 36.740, 44.980, 52.350, 104.91, 109.59, 94.10
R / Rfree (%) 16.6 / 19.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin (pdb code 5tq8). 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 Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin, PDB code: 5tq8:

Fluorine binding site 1 out of 1 in 5tq8

Go back to Fluorine Binding Sites List in 5tq8
Fluorine binding site 1 out of 1 in the Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F4000

b:17.9
occ:1.00
 F8 A:7GS4000 0.0 17.9 1.0
C7 A:7GS4000 1.3 17.0 1.0
C5 A:7GS4000 2.3 17.2 1.0
C9 A:7GS4000 2.4 15.5 1.0
O6 A:7GS4000 2.6 18.4 1.0
N A:ASP994 3.1 15.3 1.0
C A:GLY993 3.2 17.1 1.0
CD1 A:PHE995 3.3 16.9 1.0
CA A:GLY993 3.5 13.7 1.0
N A:PHE995 3.5 14.1 1.0
CA A:ASP994 3.5 15.4 1.0
C4 A:7GS4000 3.6 13.3 1.0
C10 A:7GS4000 3.6 13.9 1.0
O A:GLY993 3.8 17.5 1.0
C A:ASP994 4.0 16.4 1.0
CD2 A:LEU902 4.0 21.6 1.0
C3 A:7GS4000 4.1 12.2 1.0
CE1 A:PHE995 4.1 18.3 1.0
CE A:MET929 4.2 17.0 1.0
CG A:PHE995 4.3 17.3 1.0
CB A:PHE995 4.3 17.7 1.0
CB A:VAL911 4.4 16.9 1.0
O A:HOH4249 4.5 19.1 1.0
CA A:PHE995 4.6 15.8 1.0
N A:GLY993 4.7 14.7 1.0
O A:ILE992 4.8 16.3 1.0
CG2 A:VAL911 4.8 18.5 1.0
CD1 A:LEU902 4.8 25.4 1.0
C11 A:7GS4000 4.8 15.3 1.0
CG1 A:VAL911 4.9 16.3 1.0
CB A:ASP994 4.9 16.9 1.0

Reference:

P.Jones, R.I.Storer, Y.A.Sabnis, F.M.Wakenhut, G.A.Whitlock, K.S.England, T.Mukaiyama, C.M.Dehnhardt, J.W.Coe, S.W.Kortum, J.E.Chrencik, D.G.Brown, R.M.Jones, J.R.Murphy, T.Yeoh, P.Morgan, I.Kilty. Design and Synthesis of A Pan-Janus Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin. J. Med. Chem. V. 60 767 2017.
ISSN: ISSN 1520-4804
PubMed: 27983835
DOI: 10.1021/ACS.JMEDCHEM.6B01634
Page generated: Thu Aug 1 15:19:47 2024

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