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Fluorine in PDB 1ywr: Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor

Enzymatic activity of Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor

All present enzymatic activity of Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor:
2.7.1.37;

Protein crystallography data

The structure of Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor, PDB code: 1ywr was solved by A.Golebiowski, J.A.Townes, M.J.Laufersweiler, T.A.Brugel, M.P.Clark, C.M.Clark, J.F.Djung, S.K.Laughlin, M.P.Sabat, R.G.Bookland, J.C.Vanrens, B.De, L.C.Hsieh, M.J.Janusz, R.L.Walter, M.E.Webster, M.J.Mekel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.736, 74.575, 77.377, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor (pdb code 1ywr). 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 Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor, PDB code: 1ywr:

Fluorine binding site 1 out of 1 in 1ywr

Go back to Fluorine Binding Sites List in 1ywr
Fluorine binding site 1 out of 1 in the Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure Analysis of Inactive P38 Kinase Domain in Complex with A Monocyclic Pyrazolone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F361

b:30.9
occ:1.00
 F9 A:LI9361 0.0 30.9 1.0
C5 A:LI9361 1.3 26.7 1.0
C4 A:LI9361 2.3 16.6 1.0
C2 A:LI9361 2.4 28.2 1.0
C A:LEU104 3.1 23.3 1.0
CB A:LEU104 3.2 19.7 1.0
N A:VAL105 3.2 24.2 1.0
O A:LEU104 3.3 31.2 1.0
C A:VAL105 3.4 21.0 1.0
C1 A:LI9361 3.6 21.6 1.0
CA A:VAL105 3.6 17.4 1.0
N A:THR106 3.6 19.5 1.0
C6 A:LI9361 3.6 29.8 1.0
CB A:THR106 3.7 32.5 1.0
O A:VAL105 3.7 31.5 1.0
CA A:LEU104 3.8 27.7 1.0
CG2 A:THR106 3.9 24.0 1.0
C3 A:LI9361 4.1 24.1 1.0
CD2 A:LEU86 4.3 26.1 1.0
CA A:THR106 4.3 23.7 1.0
CD1 A:LEU75 4.4 34.4 1.0
O A:ALA51 4.5 31.4 1.0
CG A:LEU104 4.5 24.4 1.0
CB A:LYS53 4.8 21.0 1.0
CD1 A:LEU104 4.8 22.3 1.0
OG1 A:THR106 4.9 28.5 1.0
N A:LEU104 4.9 23.0 1.0
O A:GLY85 5.0 39.2 1.0
N A:LYS53 5.0 24.3 1.0

Reference:

A.Golebiowski, J.A.Townes, M.J.Laufersweiler, T.A.Brugel, M.P.Clark, C.M.Clark, J.F.Djung, S.K.Laughlin, M.P.Sabat, R.G.Bookland, J.C.Vanrens, B.De, L.C.Hsieh, M.J.Janusz, R.L.Walter, M.E.Webster, M.J.Mekel. The Development of Monocyclic Pyrazolone Based Cytokine Synthesis Inhibitors. Bioorg.Med.Chem.Lett. V. 15 2285 2005.
ISSN: ISSN 0960-894X
PubMed: 15837310
DOI: 10.1016/J.BMCL.2005.03.007
Page generated: Wed Jul 31 13:35:31 2024

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