Chlorine in PDB 3dkg: Structure of Mutant(Y1248L) Met Receptor Tyrosine Kinase in Complex with Inhibitor Sgx-523

The structure of Structure of Mutant(Y1248L) Met Receptor Tyrosine Kinase in Complex with Inhibitor Sgx-523, PDB code: 3dkg was solved by J.Hendle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.10 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.972, 46.452, 159.236, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.8

The binding sites of Chlorine atom in the Structure of Mutant(Y1248L) Met Receptor Tyrosine Kinase in Complex with Inhibitor Sgx-523 (pdb code 3dkg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Mutant(Y1248L) Met Receptor Tyrosine Kinase in Complex with Inhibitor Sgx-523, PDB code: 3dkg:

Chlorine binding site 1 out of 1 in the Structure of Mutant(Y1248L) Met Receptor Tyrosine Kinase in Complex with Inhibitor Sgx-523


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mutant(Y1248L) Met Receptor Tyrosine Kinase in Complex with Inhibitor Sgx-523 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:17.2 occ:1.00 O A:HOH22 3.1 18.3 1.0 N A:HIS1348 3.2 28.1 1.0 N A:GLU1347 3.3 26.2 1.0 N A:LYS1179 3.4 9.6 1.0 CA A:GLY1346 3.4 24.0 1.0 N A:GLY1346 3.4 21.7 1.0 C A:GLY1346 3.7 26.3 1.0 CB A:LYS1179 3.7 13.9 1.0 N A:VAL1178 3.8 15.6 1.0 CB A:HIS1348 3.8 29.6 1.0 CB A:THR1177 3.8 18.4 1.0 CB A:VAL1178 3.9 17.0 1.0 O A:HIS1348 3.9 26.8 1.0 CD2 A:PHE1344 3.9 14.1 1.0 CA A:HIS1348 3.9 29.3 1.0 CB A:PHE1344 4.0 15.6 1.0 CA A:LYS1179 4.1 14.3 1.0 CA A:VAL1178 4.2 15.5 1.0 CD2 A:HIS1348 4.2 31.4 1.0 OG1 A:THR1177 4.2 16.6 1.0 C A:GLU1347 4.2 29.5 1.0 C A:VAL1178 4.2 13.0 1.0 CG A:HIS1348 4.2 34.8 1.0 CA A:GLU1347 4.3 29.1 1.0 CG A:PHE1344 4.3 15.1 1.0 C A:HIS1348 4.3 28.3 1.0 N A:ILE1345 4.5 18.6 1.0 C A:THR1177 4.6 16.8 1.0 C A:ILE1345 4.7 22.2 1.0 CG2 A:VAL1178 4.7 20.6 1.0 CG2 A:THR1177 4.7 18.5 1.0 O A:GLY1346 4.7 28.0 1.0 CA A:THR1177 4.8 15.4 1.0 CG1 A:VAL1178 4.9 13.0 1.0 CA A:PHE1344 4.9 17.3 1.0 CE2 A:PHE1344 4.9 17.5 1.0 CG A:GLU1347 4.9 29.5 0.7

S.G.Buchanan, J.Hendle, P.S.Lee, C.R.Smith, P.Y.Bounaud, K.A.Jessen, C.M.Tang, N.H.Huser, J.D.Felce, K.J.Froning, M.C.Peterman, B.E.Aubol, S.F.Gessert, J.M.Sauder, K.D.Schwinn, M.Russell, I.A.Rooney, J.Adams, B.C.Leon, T.H.Do, J.M.Blaney, P.A.Sprengeler, D.A.Thompson, L.Smyth, L.A.Pelletier, S.Atwell, K.Holme, S.R.Wasserman, S.Emtage, S.K.Burley, S.H.Reich. SGX523 Is An Exquisitely Selective, Atp-Competitive Inhibitor of the Met Receptor Tyrosine Kinase with Antitumor Activity in Vivo. Mol.Cancer Ther. V. 8 3181 2009.
ISSN: ISSN 1535-7163
PubMed: 19934279
DOI: 10.1158/1535-7163.MCT-09-0477