Fluorine in PDB 3gcp: Human P38 Map Kinase in Complex with SB203580

All present enzymatic activity of Human P38 Map Kinase in Complex with SB203580:
2.7.11.24;

The structure of Human P38 Map Kinase in Complex with SB203580, PDB code: 3gcp was solved by C.Gruetter, J.R.Simard, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.890, 69.870, 74.510, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 27.6

The binding sites of Fluorine atom in the Human P38 Map Kinase in Complex with SB203580 (pdb code 3gcp). 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 Human P38 Map Kinase in Complex with SB203580, PDB code: 3gcp:

Fluorine binding site 1 out of 1 in the Human P38 Map Kinase in Complex with SB203580


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human P38 Map Kinase in Complex with SB203580 within 5.0Å range: probe atom residue distance (Å) B Occ A:F361 b:20.1 occ:1.00 FD3 A:SB2361 0.0 20.1 1.0 CD3 A:SB2361 1.4 19.3 1.0 CD4 A:SB2361 2.4 18.0 1.0 CD2 A:SB2361 2.4 18.1 1.0 C A:LEU104 3.1 18.5 1.0 O A:LEU104 3.1 18.0 1.0 CB A:LEU104 3.2 19.1 1.0 N A:VAL105 3.2 17.6 1.0 C A:VAL105 3.4 15.9 1.0 N A:THR106 3.6 14.9 1.0 CA A:VAL105 3.6 17.1 1.0 CD5 A:SB2361 3.6 21.4 1.0 CD1 A:SB2361 3.7 18.5 1.0 O A:VAL105 3.8 15.4 1.0 CA A:LEU104 3.8 19.3 1.0 CB A:THR106 3.8 15.2 1.0 CG2 A:THR106 3.9 10.9 1.0 CD2 A:LEU86 3.9 16.3 1.0 CD6 A:SB2361 4.2 23.0 1.0 CA A:THR106 4.3 15.2 1.0 CG A:LEU104 4.6 20.0 1.0 CD1 A:LEU75 4.6 13.4 1.0 O A:ALA51 4.6 21.6 1.0 CD1 A:LEU104 4.8 19.4 1.0 N A:LEU104 4.9 20.0 1.0

J.R.Simard, M.Getlik, C.Grutter, V.Pawar, S.Wulfert, M.Rabiller, D.Rauh. Development of A Fluorescent-Tagged Kinase Assay System For the Detection and Characterization of Allosteric Kinase Inhibitors. J.Am.Chem.Soc. V. 131 13286 2009.
ISSN: ISSN 0002-7863
PubMed: 19572644
DOI: 10.1021/JA902010P