Fluorine in PDB 7v3r: 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: 7v3r 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)	35.07 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.083, 80.833, 90.774, 90, 90, 90
R / Rfree (%)	16.8 / 19

The binding sites of Fluorine atom in the Crystal Structure of Cmet in Complex with A Novel Inhibitor (pdb code 7v3r). 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: 7v3r:
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:14.2 occ:1.00 F1 A:5IE1401 0.0 14.2 1.0 C16 A:5IE1401 1.4 12.7 1.0 C11 A:5IE1401 2.3 10.9 1.0 C15 A:5IE1401 2.4 11.0 1.0 O1 A:5IE1401 2.7 12.0 1.0 CG2 A:VAL1092 3.2 15.7 1.0 CG1 A:VAL1092 3.3 14.4 1.0 C12 A:5IE1401 3.6 10.6 1.0 C14 A:5IE1401 3.6 10.8 1.0 C10 A:5IE1401 3.8 8.8 1.0 CD2 A:LEU1157 3.8 20.0 1.0 CB A:LYS1110 3.8 12.3 1.0 CB A:VAL1092 3.8 15.3 1.0 C13 A:5IE1401 4.1 9.2 1.0 CD A:LYS1110 4.1 19.1 1.0 C9 A:5IE1401 4.1 8.3 1.0 CG A:LYS1110 4.3 14.0 1.0 CE1 A:PHE1223 4.4 15.5 1.0 CD1 A:PHE1223 4.6 15.2 1.0 CA A:LYS1110 4.7 13.1 1.0 CB A:ALA1108 4.7 10.8 1.0 CG A:LEU1157 4.8 17.1 1.0 N3 A:5IE1401 4.8 10.4 1.0 O2 A:5IE1401 4.8 13.0 1.0 N4 A:5IE1401 4.8 10.6 1.0 N A:LYS1110 4.9 10.0 1.0 CA A:VAL1092 5.0 13.4 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:25.2 occ:1.00 F2 A:5IE1401 0.0 25.2 1.0 C25 A:5IE1401 1.4 17.0 1.0 C26 A:5IE1401 2.3 15.0 1.0 C24 A:5IE1401 2.3 16.3 1.0 CD1 A:LEU1195 3.1 17.4 1.0 C27 A:5IE1401 3.6 12.0 1.0 C23 A:5IE1401 3.6 16.1 1.0 CG1 A:VAL1139 3.6 13.7 1.0 O A:VAL1220 3.7 10.8 1.0 CG1 A:VAL1220 3.7 11.1 1.0 CE2 A:PHE1134 3.8 16.9 1.0 CD2 A:LEU1195 3.9 14.6 1.0 C A:VAL1220 4.0 8.4 1.0 C22 A:5IE1401 4.1 9.3 1.0 CG A:LEU1195 4.1 12.2 1.0 CD2 A:PHE1134 4.1 18.4 1.0 N A:ALA1221 4.3 8.4 1.0 CE2 A:PHE1200 4.3 22.7 1.0 CA A:ALA1221 4.4 8.1 1.0 CB A:VAL1220 4.4 9.7 1.0 CD2 A:HIS1202 4.4 13.8 1.0 CZ A:PHE1134 4.7 16.8 1.0 CB A:VAL1139 4.8 14.8 1.0 C A:ALA1221 4.8 8.8 1.0 NE2 A:HIS1202 4.9 12.7 1.0 CG2 A:VAL1139 4.9 13.9 1.0 CA A:VAL1220 4.9 7.5 1.0 CD2 A:PHE1200 4.9 18.2 1.0 CZ A:PHE1200 5.0 23.3 1.0

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