Fluorine in PDB 7b43: Crystal Structure of C-Met Bound By Compound 9

All present enzymatic activity of Crystal Structure of C-Met Bound By Compound 9:
2.7.10.1;

The structure of Crystal Structure of C-Met Bound By Compound 9, PDB code: 7b43 was solved by G.W.Collie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.41 / 1.87
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.867, 59.738, 77.603, 76.51, 73.88, 69.25
R / Rfree (%)	20 / 24.8

The binding sites of Fluorine atom in the Crystal Structure of C-Met Bound By Compound 9 (pdb code 7b43). 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 C-Met Bound By Compound 9, PDB code: 7b43:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of C-Met Bound By Compound 9


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 C-Met Bound By Compound 9 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:46.6 occ:1.00 F A:SW51401 0.0 46.6 1.0 C A:SW51401 1.4 45.6 1.0 C1 A:SW51401 2.3 43.3 1.0 C21 A:SW51401 2.4 45.2 1.0 CD A:LYS1110 3.1 61.0 1.0 O A:LEU1225 3.4 31.5 1.0 NZ A:LYS1110 3.5 74.8 1.0 CA A:ALA1226 3.5 27.1 1.0 C2 A:SW51401 3.6 42.3 1.0 C20 A:SW51401 3.6 43.2 1.0 C A:ALA1226 3.9 32.5 1.0 CE A:LYS1110 3.9 69.0 1.0 O A:ALA1226 4.0 31.6 1.0 CD1 A:LEU1157 4.1 16.6 1.0 O A:ARG1227 4.1 36.9 1.0 C3 A:SW51401 4.1 40.2 1.0 CG A:LYS1110 4.3 47.2 1.0 C A:LEU1225 4.3 31.3 1.0 CB A:LYS1110 4.3 27.2 1.0 CB A:ALA1226 4.4 27.5 1.0 N A:ALA1226 4.4 27.4 1.0 N A:ARG1227 4.7 31.5 1.0 CA A:MET1229 4.9 37.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of C-Met Bound By Compound 9


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 C-Met Bound By Compound 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1401 b:46.9 occ:1.00 F B:SW51401 0.0 46.9 1.0 C B:SW51401 1.4 41.9 1.0 C1 B:SW51401 2.3 39.6 1.0 C21 B:SW51401 2.3 39.6 1.0 NZ B:LYS1110 2.8 34.2 1.0 CD B:LYS1110 3.2 22.9 1.0 O B:ALA1226 3.4 28.4 1.0 CA B:ALA1226 3.4 22.0 1.0 C B:ALA1226 3.5 28.5 1.0 CE B:LYS1110 3.6 20.1 1.0 C2 B:SW51401 3.6 38.7 1.0 C20 B:SW51401 3.6 37.2 1.0 O B:LEU1225 3.7 25.2 1.0 O B:ARG1227 3.8 36.6 1.0 C3 B:SW51401 4.1 35.5 1.0 CD1 B:LEU1157 4.2 18.4 1.0 N B:ARG1227 4.4 27.7 1.0 CB B:ALA1226 4.4 22.6 1.0 N B:ALA1226 4.4 21.7 1.0 C B:LEU1225 4.4 25.3 1.0 CG B:LYS1110 4.5 27.8 1.0 CA B:MET1229 4.7 43.4 1.0 CB B:LYS1110 4.7 21.5 1.0 C B:ARG1227 4.7 37.7 1.0 N B:MET1229 4.9 43.2 1.0

G.W.Collie, G.W.Collie. N/A N/A.
DOI: 10.1021/ACSMEDCHEMLETT.0C00392