Chlorine in PDB 3ika: Crystal Structure of Egfr 696-1022 T790M Mutant Covalently Binding to WZ4002

All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M Mutant Covalently Binding to WZ4002:
2.7.10.1;

The structure of Crystal Structure of Egfr 696-1022 T790M Mutant Covalently Binding to WZ4002, PDB code: 3ika was solved by C.-H.Yun, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.83 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.230, 89.126, 165.224, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of Egfr 696-1022 T790M Mutant Covalently Binding to WZ4002 (pdb code 3ika). 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 Crystal Structure of Egfr 696-1022 T790M Mutant Covalently Binding to WZ4002, PDB code: 3ika:

Chlorine binding site 1 out of 1 in the Crystal Structure of Egfr 696-1022 T790M Mutant Covalently Binding to WZ4002


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 Egfr 696-1022 T790M Mutant Covalently Binding to WZ4002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1797 b:72.8 occ:1.00 CL5 A:0UN1797 0.0 72.8 1.0 C5 A:0UN1797 1.7 70.0 1.0 C6 A:0UN1797 2.6 69.2 1.0 C4 A:0UN1797 2.6 70.7 1.0 OBB A:0UN1797 2.9 70.2 1.0 CE A:MET790 3.6 43.8 1.0 N1 A:0UN1797 3.8 69.6 1.0 SD A:MET790 3.8 47.5 1.0 N3 A:0UN1797 3.8 71.8 1.0 CB A:ALA743 3.8 38.1 1.0 CBG A:0UN1797 4.2 70.7 1.0 C2 A:0UN1797 4.3 71.3 1.0 CD1 A:LEU844 4.3 43.7 1.0 OG1 A:THR854 4.5 56.0 1.0 CB A:MET790 4.6 43.1 1.0 CG2 A:VAL726 4.7 41.9 1.0 CAN A:0UN1797 4.9 71.7 1.0 CG A:MET790 5.0 45.0 1.0 O A:HOH14 5.0 73.1 1.0

W.Zhou, D.Ercan, L.Chen, C.H.Yun, D.Li, M.Capelletti, A.B.Cortot, L.Chirieac, R.E.Iacob, R.Padera, J.R.Engen, K.K.Wong, M.J.Eck, N.S.Gray, P.A.Janne. Novel Mutant-Selective Egfr Kinase Inhibitors Against Egfr T790M. Nature V. 462 1070 2009.
ISSN: ISSN 0028-0836
PubMed: 20033049
DOI: 10.1038/NATURE08622