Fluorine in PDB 3uvp: Human P38 Map Kinase in Complex with A Benzamide Substituted Benzosuberone

All present enzymatic activity of Human P38 Map Kinase in Complex with A Benzamide Substituted Benzosuberone:
2.7.11.24;

The structure of Human P38 Map Kinase in Complex with A Benzamide Substituted Benzosuberone, PDB code: 3uvp was solved by S.C.Mayer-Wrangowski, A.Richters, C.Gruetter, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.63 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.000, 68.800, 74.800, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 29.7

The binding sites of Fluorine atom in the Human P38 Map Kinase in Complex with A Benzamide Substituted Benzosuberone (pdb code 3uvp). 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 A Benzamide Substituted Benzosuberone, PDB code: 3uvp:

Fluorine binding site 1 out of 1 in the Human P38 Map Kinase in Complex with A Benzamide Substituted Benzosuberone


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 A Benzamide Substituted Benzosuberone within 5.0Å range: probe atom residue distance (Å) B Occ A:F361 b:36.9 occ:1.00 FAC A:048361 0.0 36.9 1.0 CAW A:048361 1.3 37.8 1.0 CBB A:048361 2.3 38.4 1.0 CAI A:048361 2.4 37.8 1.0 NAS A:048361 2.7 39.4 1.0 CD1 A:LEU75 3.2 23.1 1.0 OE1 A:GLU71 3.4 37.1 1.0 CAN A:048361 3.6 40.0 1.0 CAJ A:048361 3.6 39.5 1.0 CAV A:048361 3.8 40.0 1.0 CD A:LYS53 3.9 30.1 1.0 OG1 A:THR106 3.9 32.6 1.0 CD1 A:LEU104 3.9 26.8 1.0 CB A:LEU104 3.9 28.6 1.0 CAY A:048361 4.2 41.4 1.0 CD2 A:LEU75 4.3 28.0 1.0 CG A:LEU75 4.4 27.7 1.0 CB A:LYS53 4.4 31.5 1.0 CD A:GLU71 4.4 34.0 1.0 CG A:LEU104 4.5 26.8 1.0 OAB A:048361 4.6 39.2 1.0 NZ A:LYS53 4.6 30.0 1.0 CAZ A:048361 4.6 41.1 1.0 CB A:THR106 4.7 31.4 1.0 CG A:LYS53 4.7 31.7 1.0 CG A:GLU71 4.9 31.8 1.0 CE A:LYS53 4.9 30.8 1.0 O A:LEU104 4.9 27.7 1.0

K.E.Martz, A.Dorn, B.Baur, V.Schattel, M.I.Goettert, S.C.Mayer-Wrangowski, D.Rauh, S.A.Laufer. Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent P38 Alpha Inhibitors. J.Med.Chem. V. 55 7862 2012.
ISSN: ISSN 0022-2623
PubMed: 22897496
DOI: 10.1021/JM300951U