Chlorine in PDB 3qti: C-Met Kinase in Complex with Nvp-BVU972

All present enzymatic activity of C-Met Kinase in Complex with Nvp-BVU972:
2.7.10.1;

The structure of C-Met Kinase in Complex with Nvp-BVU972, PDB code: 3qti was solved by B.A.Appleton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.39 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.690, 47.100, 81.200, 103.94, 102.58, 90.04
R / Rfree (%)	18.3 / 21.3

The binding sites of Chlorine atom in the C-Met Kinase in Complex with Nvp-BVU972 (pdb code 3qti). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the C-Met Kinase in Complex with Nvp-BVU972, PDB code: 3qti:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the C-Met Kinase in Complex with Nvp-BVU972


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of C-Met Kinase in Complex with Nvp-BVU972 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1361 b:10.9 occ:1.00 O A:HOH53 3.0 13.0 1.0 N A:HIS1348 3.3 16.1 1.0 N A:GLY1346 3.3 14.6 1.0 N A:GLU1347 3.4 18.3 1.0 CA A:GLY1346 3.4 15.9 1.0 N A:LYS1179 3.4 10.1 1.0 C A:GLY1346 3.7 20.9 1.0 N A:VAL1178 3.8 9.7 1.0 CB A:HIS1348 3.8 15.6 1.0 CB A:LYS1179 3.8 14.4 1.0 CB A:VAL1178 3.9 14.1 1.0 CD2 A:PHE1344 3.9 13.7 1.0 CB A:PHE1344 3.9 11.9 1.0 O A:HIS1348 4.0 15.8 1.0 CD2 A:HIS1348 4.0 22.0 1.0 CA A:HIS1348 4.0 15.1 1.0 CB A:THR1177 4.0 13.2 1.0 CA A:VAL1178 4.1 9.9 1.0 CA A:LYS1179 4.2 11.4 1.0 CG A:HIS1348 4.2 20.3 1.0 C A:VAL1178 4.2 12.5 1.0 CG A:PHE1344 4.3 12.6 1.0 OG1 A:THR1177 4.3 9.0 1.0 C A:GLU1347 4.3 20.3 1.0 CA A:GLU1347 4.4 18.6 1.0 C A:HIS1348 4.4 18.2 1.0 N A:ILE1345 4.4 14.2 1.0 C A:ILE1345 4.6 17.3 1.0 C A:THR1177 4.6 11.0 1.0 CG2 A:VAL1178 4.7 13.9 1.0 CG1 A:VAL1178 4.8 13.6 1.0 O A:GLY1346 4.8 21.5 1.0 CA A:THR1177 4.8 9.3 1.0 CA A:PHE1344 4.8 11.6 1.0 CE2 A:PHE1344 4.8 16.3 1.0 CG2 A:THR1177 4.9 11.4 1.0 C A:PHE1344 5.0 16.8 1.0

Chlorine binding site 2 out of 2 in the C-Met Kinase in Complex with Nvp-BVU972


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of C-Met Kinase in Complex with Nvp-BVU972 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:13.3 occ:1.00 O B:HOH55 3.0 16.0 1.0 N B:HIS1348 3.3 14.5 1.0 N B:GLY1346 3.3 14.7 1.0 N B:GLU1347 3.3 16.1 1.0 N B:LYS1179 3.4 8.2 1.0 CA B:GLY1346 3.4 15.7 1.0 C B:GLY1346 3.7 19.9 1.0 N B:VAL1178 3.8 9.4 1.0 CB B:HIS1348 3.8 14.8 1.0 CB B:LYS1179 3.8 9.2 1.0 CD2 B:PHE1344 3.9 14.7 1.0 CB B:VAL1178 3.9 13.5 1.0 CB B:PHE1344 3.9 11.8 1.0 O B:HIS1348 4.0 15.2 1.0 CA B:HIS1348 4.0 14.2 1.0 CD2 B:HIS1348 4.0 20.9 1.0 CB B:THR1177 4.0 11.8 1.0 CA B:VAL1178 4.2 9.7 1.0 CA B:LYS1179 4.2 8.3 1.0 CG B:HIS1348 4.2 19.3 1.0 C B:VAL1178 4.2 11.2 1.0 CG B:PHE1344 4.3 13.4 1.0 C B:GLU1347 4.3 18.8 1.0 OG1 B:THR1177 4.3 7.1 1.0 N B:ILE1345 4.4 12.6 1.0 CA B:GLU1347 4.4 17.2 1.0 C B:HIS1348 4.4 16.9 1.0 C B:ILE1345 4.5 17.0 1.0 C B:THR1177 4.6 11.4 1.0 CG2 B:VAL1178 4.7 13.7 1.0 CG1 B:VAL1178 4.8 12.9 1.0 O B:GLY1346 4.8 20.4 1.0 CA B:PHE1344 4.8 10.5 1.0 CA B:THR1177 4.9 10.6 1.0 CE2 B:PHE1344 4.9 17.3 1.0 CG2 B:THR1177 4.9 14.3 1.0 C B:PHE1344 5.0 14.8 1.0

R.Tiedt, E.Degenkolbe, P.Furet, B.A.Appleton, S.Wagner, J.Schoepfer, E.Buck, D.A.Ruddy, J.E.Monahan, M.D.Jones, J.Blank, D.Haasen, P.Drueckes, M.Wartmann, C.Mccarthy, W.R.Sellers, F.Hofmann. A Drug Resistance Screen Using A Selective Met Inhibitor Reveals A Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients. Cancer Res. V. 71 5255 2011.
ISSN: ISSN 0008-5472
PubMed: 21697284
DOI: 10.1158/0008-5472.CAN-10-4433