Fluorine in PDB 7v3s: Crystal Structure of Cmet in Complex with A Novel Inhibitor

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

The structure of Crystal Structure of Cmet in Complex with A Novel Inhibitor, PDB code: 7v3s was solved by H.X.Su, Q.F.Liu, T.T.Chen, M.J.Li, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.77 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.999, 80.397, 91.047, 90, 90, 90
R / Rfree (%)	16.4 / 19.5

The binding sites of Fluorine atom in the Crystal Structure of Cmet in Complex with A Novel Inhibitor (pdb code 7v3s). 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 A Novel Inhibitor, PDB code: 7v3s:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Cmet in Complex with A 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 A Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:18.4 occ:1.00 F1 A:5I91401 0.0 18.4 1.0 C17 A:5I91401 1.4 19.2 1.0 C12 A:5I91401 2.3 17.6 1.0 C16 A:5I91401 2.4 14.9 1.0 O2 A:5I91401 2.7 15.7 1.0 CG2 A:VAL1092 3.3 16.4 1.0 CG1 A:VAL1092 3.5 15.8 1.0 C11 A:5I91401 3.6 13.3 1.0 C13 A:5I91401 3.6 14.6 1.0 C15 A:5I91401 3.6 16.2 1.0 C10 A:5I91401 3.9 12.1 1.0 CD2 A:LEU1157 4.0 21.5 1.0 CB A:VAL1092 4.0 17.7 1.0 CB A:LYS1110 4.1 15.3 1.0 C14 A:5I91401 4.1 14.8 1.0 CD A:LYS1110 4.4 17.6 1.0 CG A:LYS1110 4.4 15.3 1.0 CB A:ALA1108 4.6 12.9 1.0 C8 A:5I91401 4.7 15.5 1.0 CE2 A:PHE1223 4.7 23.1 1.0 O3 A:5I91401 4.7 16.1 1.0 CD2 A:PHE1223 4.8 24.3 1.0 N3 A:5I91401 4.8 15.0 1.0 CG A:LEU1157 4.9 20.0 1.0 CA A:LYS1110 4.9 15.4 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Cmet in Complex with A 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 A Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:25.8 occ:1.00 F2 A:5I91401 0.0 25.8 1.0 C26 A:5I91401 1.4 19.6 1.0 C25 A:5I91401 2.3 20.2 1.0 C27 A:5I91401 2.3 16.7 1.0 CD1 A:LEU1195 3.1 12.9 1.0 CG1 A:VAL1220 3.6 10.7 1.0 C24 A:5I91401 3.6 18.7 1.0 C28 A:5I91401 3.6 15.7 1.0 CG1 A:VAL1139 3.8 15.0 1.0 CD2 A:HIS1202 3.9 12.3 1.0 CE2 A:PHE1134 3.9 19.0 1.0 CD2 A:LEU1195 3.9 19.4 1.0 O A:VAL1220 3.9 12.5 1.0 CE2 A:PHE1200 4.0 17.1 1.0 CG A:LEU1195 4.1 15.1 1.0 C23 A:5I91401 4.1 14.0 1.0 C A:VAL1220 4.2 13.3 1.0 CD2 A:PHE1134 4.2 18.6 1.0 NE2 A:HIS1202 4.3 16.1 1.0 CB A:VAL1220 4.4 12.5 1.0 N A:ALA1221 4.5 11.9 1.0 CA A:ALA1221 4.6 13.9 1.0 CZ A:PHE1134 4.6 20.4 1.0 CD2 A:PHE1200 4.7 18.8 1.0 CZ A:PHE1200 4.7 16.9 1.0 C A:ALA1221 4.9 12.7 1.0 O A:ALA1221 4.9 12.6 1.0 CG A:HIS1202 5.0 12.3 1.0 CA A:VAL1220 5.0 13.4 1.0

H.X.Su, Y.C.Xu. Structure-Based Identification of A Novel Inhibitor Targeting Cmet To Be Published.