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Fluorine in PDB 3qup: Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky)

Enzymatic activity of Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky)

All present enzymatic activity of Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky):
2.7.10.1;

Protein crystallography data

The structure of Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky), PDB code: 3qup was solved by J.F.Ohren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.31 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.986, 57.343, 60.562, 90.00, 100.30, 90.00
R / Rfree (%) 23.8 / 26.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky) (pdb code 3qup). 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 Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky), PDB code: 3qup:

Fluorine binding site 1 out of 1 in 3qup

Go back to Fluorine Binding Sites List in 3qup
Fluorine binding site 1 out of 1 in the Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Inhibitor Bound Structure of the Kinase Domain of the Murine Receptor Tyrosine Kinase TYRO3 (Sky) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:45.0
occ:1.00
F31 A:LUN1 0.0 45.0 1.0
C29 A:LUN1 1.4 43.6 1.0
C30 A:LUN1 2.4 42.5 1.0
C27 A:LUN1 2.4 42.0 1.0
C24 A:LUN1 3.6 39.7 1.0
C28 A:LUN1 3.6 41.2 1.0
O A:LEU514 3.8 67.5 1.0
C25 A:LUN1 4.1 39.3 1.0
NH1 A:ARG512 4.4 70.4 1.0
O A:HOH2 4.7 41.9 1.0
C A:LEU514 4.7 67.6 1.0
CD2 A:LEU514 4.7 66.2 1.0
C20 A:LUN1 4.9 37.5 1.0
CB A:LEU514 5.0 67.5 1.0
CA A:LEU514 5.0 67.8 1.0

Reference:

N.A.Powell, J.T.Kohrt, K.J.Filipski, M.Kaufman, D.Sheehan, J.E.Edmunds, A.Delaney, Y.Wang, F.Bourbonais, D.Y.Lee, F.Schwende, F.Sun, P.Mcconnell, C.Catana, H.Chen, J.Ohren, L.A.Perrin. Novel and Selective Spiroindoline-Based Inhibitors of Sky Kinase. Bioorg.Med.Chem.Lett. V. 22 190 2012.
ISSN: ISSN 0960-894X
PubMed: 22119469
DOI: 10.1016/J.BMCL.2011.11.036
Page generated: Wed Jul 31 22:10:36 2024

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