Chlorine in PDB 5xgn: Crystal Structure of Egfr 696-1022 T790M/C797S in Complex with GO6976

All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M/C797S in Complex with GO6976:
2.7.10.1;

The structure of Crystal Structure of Egfr 696-1022 T790M/C797S in Complex with GO6976, PDB code: 5xgn was solved by L.L.Kong, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.69 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.434, 90.509, 164.223, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 25.1

The binding sites of Chlorine atom in the Crystal Structure of Egfr 696-1022 T790M/C797S in Complex with GO6976 (pdb code 5xgn). 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 Egfr 696-1022 T790M/C797S in Complex with GO6976, PDB code: 5xgn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Egfr 696-1022 T790M/C797S in Complex with GO6976


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/C797S in Complex with GO6976 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1101 b:89.0 occ:1.00 OD1 B:ASN842 3.9 74.8 1.0 NE B:ARG841 4.3 68.7 1.0 O B:HOH1225 4.3 61.8 1.0 O B:HOH1221 4.5 61.4 1.0 CD B:ARG841 4.6 65.8 1.0 CG B:ASN842 4.9 69.8 1.0 O B:LEU718 4.9 79.6 1.0 OD2 B:ASP837 4.9 67.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Egfr 696-1022 T790M/C797S in Complex with GO6976


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/C797S in Complex with GO6976 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1102 b:80.0 occ:1.00 CD B:LYS879 3.4 72.3 1.0 N B:LYS879 3.5 70.4 1.0 N B:ILE878 3.6 75.1 1.0 CB B:LYS879 3.9 74.1 1.0 CZ3 B:TRP880 4.0 57.9 1.0 C B:PRO877 4.1 76.2 1.0 CG B:LYS879 4.2 69.8 1.0 CA B:PRO877 4.2 82.7 1.0 CA B:ILE878 4.3 75.6 1.0 CA B:LYS879 4.3 68.5 1.0 CE3 B:TRP880 4.4 62.9 1.0 CB B:ILE878 4.4 71.6 1.0 C B:ILE878 4.4 74.5 1.0 CE B:LYS879 4.6 75.2 1.0 NZ B:LYS879 4.6 86.7 1.0 O B:PRO877 4.8 74.8 1.0 CB B:PRO877 4.9 76.5 1.0 O B:VAL876 5.0 86.0 1.0

L.L.Kong, R.Ma, M.Y.Yao, X.E.Yan, S.J.Zhu, P.Zhao, C.H.Yun. Structural Pharmacological Studies on Egfr T790M/C797S. Biochem. Biophys. Res. V. 488 266 2017COMMUN..
ISSN: ESSN 1090-2104
PubMed: 28456628
DOI: 10.1016/J.BBRC.2017.04.138