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

Enzymatic activity of 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;

Protein crystallography data

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

Fluorine Binding Sites:

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 2p3g

Go back to Fluorine Binding Sites List in 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

Reference:

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
Page generated: Sun Dec 13 11:38:44 2020

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