Fluorine in PDB 5t3q: Crystal Structure of the C-Met Kinase Domain in Complex with A Pyrazolone Inhibitor

All present enzymatic activity of Crystal Structure of the C-Met Kinase Domain in Complex with A Pyrazolone Inhibitor:
2.7.10.1;

The structure of Crystal Structure of the C-Met Kinase Domain in Complex with A Pyrazolone Inhibitor, PDB code: 5t3q was solved by S.F.Bellon, D.A.Whittington, A.M.Long, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	71.627, 82.272, 127.139, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.8

The binding sites of Fluorine atom in the Crystal Structure of the C-Met Kinase Domain in Complex with A Pyrazolone Inhibitor (pdb code 5t3q). 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 the C-Met Kinase Domain in Complex with A Pyrazolone Inhibitor, PDB code: 5t3q:

Fluorine binding site 1 out of 1 in the Crystal Structure of the C-Met Kinase Domain in Complex with A Pyrazolone Inhibitor


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 the C-Met Kinase Domain in Complex with A Pyrazolone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:38.5 occ:1.00 F1 A:75H1401 0.0 38.5 1.0 C11 A:75H1401 1.3 30.5 1.0 C12 A:75H1401 2.4 29.4 1.0 C10 A:75H1401 2.4 27.3 1.0 O1 A:75H1401 2.7 25.2 1.0 CG2 A:VAL1092 3.2 27.2 1.0 CG1 A:VAL1092 3.6 25.9 1.0 C9 A:75H1401 3.6 23.5 1.0 C13 A:75H1401 3.6 28.2 1.0 C15 A:75H1401 3.6 27.6 1.0 CB A:LYS1110 3.8 30.7 1.0 CD1 A:LEU1157 3.9 30.8 1.0 CB A:VAL1092 4.0 26.9 1.0 C8 A:75H1401 4.0 24.3 1.0 CD A:LYS1110 4.1 36.6 1.0 C14 A:75H1401 4.1 26.7 1.0 CB A:PHE1089 4.1 66.8 1.0 O A:PHE1089 4.3 51.5 1.0 CG A:LYS1110 4.5 33.1 1.0 C5 A:75H1401 4.6 23.6 1.0 CG A:PHE1089 4.7 64.7 1.0 N2 A:75H1401 4.7 28.2 1.0 CB A:ALA1108 4.7 22.4 1.0 CA A:LYS1110 4.8 27.9 1.0 C6 A:75H1401 4.9 25.2 1.0 N A:LYS1110 4.9 27.3 1.0 CD1 A:PHE1089 5.0 60.9 1.0

A.A.Boezio, E.A.Peterson, J.-C.Harmange. Discovery of AMG337: Using Structure Guided Scaffold Hydridization to Optimize Physicochemical Properties and Target Coverage of A Met Kinase Inhibitor To Be Published.