Fluorine in PDB 1yw2: Mutated Mus Musculus P38 Kinase (MP38)

All present enzymatic activity of Mutated Mus Musculus P38 Kinase (MP38):
2.7.1.37;

The structure of Mutated Mus Musculus P38 Kinase (MP38), PDB code: 1yw2 was solved by S.K.Laughlin, M.P.Clark, J.F.Djung, A.Golebiowski, T.A.Brugel, M.Sabat, R.G.Bookland, M.J.Laufersweiler, J.C.Vanrens, J.A.Townes, B.De, L.C.Hsieh, S.C.Xu, R.L.Walter, M.J.Mekel, M.J.Janusz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.036, 76.954, 73.637, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 29

The binding sites of Fluorine atom in the Mutated Mus Musculus P38 Kinase (MP38) (pdb code 1yw2). 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 Mutated Mus Musculus P38 Kinase (MP38), PDB code: 1yw2:

Fluorine binding site 1 out of 1 in the Mutated Mus Musculus P38 Kinase (MP38)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mutated Mus Musculus P38 Kinase (MP38) within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:37.8 occ:1.00 F45 A:PGJ2001 0.0 37.8 1.0 C38 A:PGJ2001 1.3 26.9 1.0 C37 A:PGJ2001 2.3 33.7 1.0 C39 A:PGJ2001 2.4 21.7 1.0 CB A:LEU1104 3.1 34.8 1.0 C A:LEU1104 3.1 40.7 1.0 O A:LEU1104 3.3 30.8 1.0 N A:VAL1105 3.3 41.5 1.0 C A:VAL1105 3.5 22.8 1.0 C36 A:PGJ2001 3.6 40.0 1.0 C40 A:PGJ2001 3.6 27.2 1.0 N A:THR1106 3.7 26.2 1.0 CA A:VAL1105 3.7 42.1 1.0 CA A:LEU1104 3.7 41.7 1.0 CD2 A:LEU1086 3.8 45.9 1.0 O A:VAL1105 3.8 32.0 1.0 CB A:THR1106 3.8 40.6 1.0 CG2 A:THR1106 3.9 23.5 1.0 C35 A:PGJ2001 4.1 33.0 1.0 CA A:THR1106 4.4 32.3 1.0 CG A:LEU1104 4.5 36.5 1.0 O A:ALA1051 4.5 36.1 1.0 CB A:LYS1053 4.6 26.3 1.0 CD1 A:LEU1104 4.7 27.4 1.0 CD1 A:LEU1075 4.7 32.6 1.0 O A:GLY1085 4.9 36.1 1.0 N A:LEU1104 4.9 36.1 1.0 N A:LYS1053 5.0 34.9 1.0

S.K.Laughlin, M.P.Clark, J.F.Djung, A.Golebiowski, T.A.Brugel, M.Sabat, R.G.Bookland, M.J.Laufersweiler, J.C.Vanrens, J.A.Townes, B.De, L.C.Hsieh, S.C.Xu, R.L.Walter, M.J.Mekel, M.J.Janusz. The Development of New Isoxazolone Based Inhibitors of Tumor Necrosis Factor-Alpha (Tnf-Alpha) Production. Bioorg.Med.Chem.Lett. V. 15 2399 2005.
ISSN: ISSN 0960-894X
PubMed: 15837333
DOI: 10.1016/J.BMCL.2005.02.066