Fluorine in PDB 2p3g: Crystal Structure of A Pyrrolopyridine Inhibitor Bound to Mapkap Kinase-2

All present enzymatic activity of Crystal Structure of A Pyrrolopyridine Inhibitor Bound to Mapkap Kinase-2:
2.7.11.1;

The structure of Crystal Structure of A Pyrrolopyridine Inhibitor Bound to Mapkap Kinase-2, PDB code: 2p3g was solved by R.G.Kurumbail, N.Caspers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.80
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	253.941, 253.941, 253.941, 90.00, 90.00, 90.00
R / Rfree (%)	30 / 37.4

The binding sites of Fluorine atom in the Crystal Structure of A Pyrrolopyridine Inhibitor Bound to Mapkap Kinase-2 (pdb code 2p3g). 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 of A Pyrrolopyridine Inhibitor Bound to Mapkap Kinase-2, PDB code: 2p3g:

Fluorine binding site 1 out of 1 in the Crystal Structure of A Pyrrolopyridine Inhibitor Bound to Mapkap Kinase-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of A Pyrrolopyridine Inhibitor Bound to Mapkap Kinase-2 within 5.0Å range: probe atom residue distance (Å) B Occ X:F401 b:0.1 occ:1.00 F6 X:F10401 0.0 0.1 1.0 C5 X:F10401 1.3 0.6 1.0 C7 X:F10401 2.3 0.1 1.0 C4 X:F10401 2.4 0.3 1.0 C2 X:F10401 2.9 0.2 1.0 C11 X:F10401 2.9 0.5 1.0 C8 X:F10401 3.6 0.5 1.0 C10 X:F10401 3.6 0.4 1.0 CD1 X:LEU193 3.9 1.0 1.0 O X:LEU141 4.0 0.5 1.0 N23 X:F10401 4.0 0.4 1.0 CD2 X:LEU193 4.0 0.9 1.0 C9 X:F10401 4.1 0.4 1.0 C12 X:F10401 4.1 0.3 1.0 CB X:LEU70 4.5 0.0 1.0 CG X:LEU193 4.6 0.2 1.0 N20 X:F10401 4.9 0.8 1.0 N X:GLY71 4.9 0.3 1.0 C13 X:F10401 4.9 0.7 1.0 C22 X:F10401 4.9 0.3 1.0

D.R.Anderson, M.J.Meyers, W.F.Vernier, M.W.Mahoney, R.G.Kurumbail, N.Caspers, G.I.Poda, J.F.Schindler, D.B.Reitz, R.J.Mourey. Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (Mk-2). J.Med.Chem. V. 50 2647 2007.
ISSN: ISSN 0022-2623
PubMed: 17480064
DOI: 10.1021/JM0611004