Chlorine in PDB 6jx0: Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization

All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization:
2.7.10.1;

The structure of Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization, PDB code: 6jx0 was solved by C.H.Yun, X.E.Yan, S.J.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.90 / 2.53
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.464, 94.464, 125.950, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization (pdb code 6jx0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization, PDB code: 6jx0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization


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 in Complex with AZD9291 Prepared By Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1104 b:73.7 occ:1.00 NH1 A:ARG973 3.0 52.7 1.0 CL A:CL1105 3.0 93.1 1.0 O A:HOH1220 3.5 48.7 1.0 CD A:ARG973 3.7 58.2 1.0 CG A:LYS970 3.9 48.8 1.0 CZ A:ARG973 4.0 48.7 1.0 NE A:ARG973 4.3 47.8 1.0 NZ A:LYS970 4.6 76.2 1.0 CB A:LYS970 4.6 42.1 1.0 CA A:LYS970 4.7 38.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization


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 Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1105 b:93.1 occ:1.00 CL A:CL1104 3.0 73.7 1.0 O A:HOH1220 5.0 48.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Egfr 696-1022 T790M in Complex with AZD9291 Prepared By Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1106 b:80.8 occ:1.00 O A:HOH1317 3.2 58.4 1.0 NZ A:LYS823 3.7 64.2 1.0 CE A:LYS823 4.9 46.0 1.0

C.H.Yun, S.J.Zhu, X.E.Yan. Structural Basis of the Selectivity of the Drug Molecule AZD9291 For the T790M Cancer Mutant of Egfr To Be Published.