Fluorine in PDB 1oz1: P38 Mitogen-Activated Kinase in Complex with 4-Azaindole Inhibitor

All present enzymatic activity of P38 Mitogen-Activated Kinase in Complex with 4-Azaindole Inhibitor:
2.7.1.37;

The structure of P38 Mitogen-Activated Kinase in Complex with 4-Azaindole Inhibitor, PDB code: 1oz1 was solved by B.Lovejoy, A.Villasenor, M.Browner, P.Dunten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.405, 85.454, 125.841, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.1

The binding sites of Fluorine atom in the P38 Mitogen-Activated Kinase in Complex with 4-Azaindole Inhibitor (pdb code 1oz1). 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 P38 Mitogen-Activated Kinase in Complex with 4-Azaindole Inhibitor, PDB code: 1oz1:

Fluorine binding site 1 out of 1 in the P38 Mitogen-Activated Kinase in Complex with 4-Azaindole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of P38 Mitogen-Activated Kinase in Complex with 4-Azaindole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F500 b:34.2 occ:1.00 F32 A:FPH500 0.0 34.2 1.0 C27 A:FPH500 1.3 33.2 1.0 C26 A:FPH500 2.4 29.8 1.0 C28 A:FPH500 2.4 31.4 1.0 CB A:LEU104 3.3 19.7 1.0 N A:VAL105 3.5 20.6 1.0 C A:LEU104 3.5 20.1 1.0 C A:VAL105 3.6 20.6 1.0 C25 A:FPH500 3.6 30.7 1.0 C29 A:FPH500 3.7 30.8 1.0 N A:THR106 3.7 21.8 1.0 CB A:THR106 3.7 22.9 1.0 O A:LEU104 3.8 19.6 1.0 O A:VAL105 3.9 20.2 1.0 CD1 A:LEU86 3.9 20.4 1.0 CA A:VAL105 3.9 20.6 1.0 CA A:LEU104 4.0 19.9 1.0 CG2 A:THR106 4.0 20.1 1.0 CD1 A:LEU75 4.1 22.5 1.0 C24 A:FPH500 4.2 32.0 1.0 CA A:THR106 4.4 22.4 1.0 CG A:LEU104 4.4 21.0 1.0 CD1 A:LEU104 4.5 17.4 1.0 CD1 A:ILE84 4.8 29.1 1.0 O A:ALA51 4.9 22.1 1.0 OG1 A:THR106 4.9 22.8 1.0 CE A:LYS53 5.0 22.1 1.0 CD2 A:LEU104 5.0 19.4 1.0

A.Trejo, H.Arzeno, M.Browner, S.Chanda, S.Cheng, D.D.Comer, S.A.Dalrymple, P.Dunten, J.Lafargue, B.Lovejoy, J.Freire-Moar, J.Lim, J.Mcintosh, J.Miller, E.Papp, D.Reuter, R.Roberts, F.Sanpablo, J.Saunders, K.Song, A.Villasenor, S.D.Warren, M.Welch, P.Weller, P.E.Whiteley, L.Zeng, D.M.Goldstein. Design and Synthesis of 4-Azaindoles As Inhibitors of P38 Map Kinase. J.Med.Chem. V. 46 4702 2003.
ISSN: ISSN 0022-2623
PubMed: 14561090
DOI: 10.1021/JM0301787