Chlorine in PDB 8ouv: Crystal Structure of D1228V C-Met Bound By Compound 15

All present enzymatic activity of Crystal Structure of D1228V C-Met Bound By Compound 15:
2.7.10.1;

The structure of Crystal Structure of D1228V C-Met Bound By Compound 15, PDB code: 8ouv 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)	107.97 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.772, 56.229, 215.948, 90, 90, 90
R / Rfree (%)	19.1 / 22

The binding sites of Chlorine atom in the Crystal Structure of D1228V C-Met Bound By Compound 15 (pdb code 8ouv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of D1228V C-Met Bound By Compound 15, PDB code: 8ouv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of D1228V C-Met Bound By Compound 15


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of D1228V C-Met Bound By Compound 15 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1401 b:35.3 occ:1.00 O B:HOH1559 3.1 31.0 1.0 N B:ALA1226 3.1 26.4 1.0 O B:HOH1574 3.2 31.9 1.0 NH1 B:ARG1114 3.5 32.2 1.0 CB B:ALA1226 3.6 26.3 1.0 CD B:ARG1114 3.7 30.9 1.0 CD2 B:LEU1225 3.9 31.4 1.0 CB B:ARG1114 4.0 31.2 1.0 CA B:ALA1226 4.0 26.2 1.0 CA B:LEU1225 4.0 28.3 1.0 CB B:LEU1225 4.0 28.5 1.0 C B:LEU1225 4.1 27.6 1.0 CG B:ARG1114 4.1 31.1 1.0 CZ B:ARG1114 4.4 31.3 1.0 CA B:PHE1089 4.5 35.4 1.0 NE B:ARG1114 4.5 30.8 1.0 CB B:PHE1089 4.5 34.6 1.0 CG B:LEU1225 4.6 30.4 1.0 O B:ALA1226 4.7 24.9 1.0 CG1 B:ILE1115 4.8 39.7 1.0 C B:ALA1226 4.9 26.0 1.0 CG1 B:VAL1237 5.0 29.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of D1228V C-Met Bound By Compound 15


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of D1228V C-Met Bound By Compound 15 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1402 b:31.7 occ:1.00 O B:HOH1729 3.0 48.5 1.0 N B:LYS1248 3.2 21.3 1.0 O B:HOH1717 3.2 40.5 1.0 N B:VAL1247 3.5 22.8 1.0 CB B:LYS1248 3.7 22.7 1.0 C B:PRO1246 3.7 24.0 1.0 CZ3 B:TRP1249 3.8 23.0 1.0 CG B:LYS1248 3.8 24.6 1.0 CA B:PRO1246 3.9 25.3 1.0 CG2 B:VAL1247 3.9 27.7 1.0 O B:LEU1245 4.0 28.1 1.0 CE3 B:TRP1249 4.0 21.2 1.0 CA B:LYS1248 4.0 21.9 1.0 CD B:LYS1248 4.1 27.6 1.0 C B:VAL1247 4.2 22.4 1.0 CA B:VAL1247 4.2 23.7 1.0 O B:PRO1246 4.4 22.2 1.0 CD B:LYS1244 4.6 46.2 1.0 CB B:VAL1247 4.7 26.3 1.0 CG2 B:THR1289 4.8 32.5 1.0 C B:LEU1245 4.9 28.2 1.0 N B:PRO1246 4.9 26.5 1.0 C B:LYS1248 4.9 22.0 1.0 CB B:PRO1246 4.9 25.9 1.0 O B:HOH1600 5.0 52.8 1.0

I.N.Michaelides, G.W.Collie, U.Borjesson, C.Vasalou, O.Alkhatib, L.Barlind, T.Cheung, I.L.Dale, K.J.Embrey, E.J.Hennessy, P.Khurana, C.M.Koh, M.L.Lamb, J.Liu, T.A.Moss, D.J.O'neill, C.Phillips, J.Shaw, A.Snijder, R.I.Storer, C.J.Stubbs, F.Han, C.Li, J.Qiao, D.Q.Sun, J.Wang, P.Wang, W.Yang. Discovery and Optimization of the First Atp Competitive Type-III C-Met Inhibitor. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 37343272
DOI: 10.1021/ACS.JMEDCHEM.3C00401