Fluorine in PDB 4mxc: Crystal Structure of Cmet in Complex with Novel Inhibitor

All present enzymatic activity of Crystal Structure of Cmet in Complex with Novel Inhibitor:
2.7.10.1;

The structure of Crystal Structure of Cmet in Complex with Novel Inhibitor, PDB code: 4mxc was solved by Q.F.Liu, T.T.Chen, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.97 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.963, 80.935, 90.867, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.7

The binding sites of Fluorine atom in the Crystal Structure of Cmet in Complex with Novel Inhibitor (pdb code 4mxc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Cmet in Complex with Novel Inhibitor, PDB code: 4mxc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Cmet in Complex with Novel 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 Cmet in Complex with Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:16.0 occ:1.00 FAG A:DWF1401 0.0 16.0 1.0 CBK A:DWF1401 1.3 15.4 1.0 CBN A:DWF1401 2.3 13.0 1.0 CAT A:DWF1401 2.4 10.9 1.0 OBC A:DWF1401 2.7 12.7 1.0 CG2 A:VAL1092 3.2 15.0 1.0 CG1 A:VAL1092 3.3 13.9 1.0 C4 A:DWF1401 3.6 12.4 1.0 CAR A:DWF1401 3.6 9.5 1.0 CBI A:DWF1401 3.6 9.5 1.0 CB A:VAL1092 3.9 13.7 1.0 C5 A:DWF1401 4.0 10.3 1.0 CB A:LYS1110 4.1 14.3 1.0 CAQ A:DWF1401 4.1 9.8 1.0 CD2 A:LEU1157 4.1 20.0 1.0 CD A:LYS1110 4.4 15.4 1.0 CG A:LYS1110 4.5 16.6 1.0 CB A:ALA1108 4.6 8.8 1.0 N3 A:DWF1401 4.7 11.7 1.0 CE2 A:PHE1223 4.8 21.4 1.0 CG A:LEU1157 4.8 17.4 1.0 NBA A:DWF1401 4.8 10.8 1.0 CA A:LYS1110 4.8 12.9 1.0 OAC A:DWF1401 4.9 14.6 1.0 CD2 A:PHE1223 4.9 25.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Cmet in Complex with Novel Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Cmet in Complex with Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:24.8 occ:1.00 FAF A:DWF1401 0.0 24.8 1.0 CBF A:DWF1401 1.3 19.6 1.0 CAM A:DWF1401 2.3 13.8 1.0 CAN A:DWF1401 2.4 17.9 1.0 CD1 A:LEU1195 3.1 15.2 1.0 CAP A:DWF1401 3.6 17.9 1.0 CAO A:DWF1401 3.6 13.6 1.0 CG1 A:VAL1139 3.8 10.9 1.0 CG1 A:VAL1220 3.8 11.4 1.0 O A:VAL1220 3.8 10.7 1.0 CD2 A:LEU1195 3.8 14.1 1.0 CE2 A:PHE1134 4.0 23.2 1.0 CBH A:DWF1401 4.1 10.0 1.0 CG A:LEU1195 4.1 10.8 1.0 CD2 A:HIS1202 4.2 14.1 1.0 C A:VAL1220 4.2 10.4 1.0 CE2 A:PHE1200 4.2 20.7 1.0 CD2 A:PHE1134 4.3 21.2 1.0 CB A:VAL1220 4.4 10.3 1.0 N A:ALA1221 4.5 8.5 1.0 CA A:ALA1221 4.5 8.9 1.0 NE2 A:HIS1202 4.7 14.9 1.0 CZ A:PHE1134 4.7 18.5 1.0 CD2 A:PHE1200 4.8 16.0 1.0 CZ A:PHE1200 4.9 18.9 1.0 CB A:VAL1139 4.9 9.7 1.0 C A:ALA1221 4.9 11.1 1.0 CG2 A:VAL1139 5.0 9.3 1.0 CA A:VAL1220 5.0 9.6 1.0

Q.F.Liu, T.T.Chen, W.H.Du, Y.C.Xu. Novel Inhibitors For Tyrosine Kinase C-Met To Be Published.