Chlorine in PDB 6jrx: Egfr T790M/C797S in Complex with Compound 6I

All present enzymatic activity of Egfr T790M/C797S in Complex with Compound 6I:
2.7.10.1;

The structure of Egfr T790M/C797S in Complex with Compound 6I, PDB code: 6jrx was solved by S.J.Zhu, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.14 / 2.20
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	144.824, 144.824, 144.824, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.9

The binding sites of Chlorine atom in the Egfr T790M/C797S in Complex with Compound 6I (pdb code 6jrx). 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 Egfr T790M/C797S in Complex with Compound 6I, PDB code: 6jrx:

Chlorine binding site 1 out of 1 in the Egfr T790M/C797S in Complex with Compound 6I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Egfr T790M/C797S in Complex with Compound 6I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:60.3 occ:1.00 CL1 A:9JO1101 0.0 60.3 1.0 CBF A:9JO1101 1.8 52.1 1.0 CAI A:9JO1101 2.8 53.8 1.0 CBK A:9JO1101 2.8 52.3 1.0 NBQ A:9JO1101 3.0 47.4 1.0 CAX A:9JO1101 3.3 45.3 1.0 O A:ALA743 3.4 41.1 1.0 CG A:MET790 3.6 52.1 1.0 CB A:ALA743 3.8 37.4 1.0 CB A:LYS745 3.8 52.2 1.0 C A:ALA743 3.8 42.0 1.0 N A:LYS745 3.8 45.5 1.0 CB A:MET790 3.8 42.5 1.0 CBD A:9JO1101 3.9 47.1 1.0 O A:LEU788 4.1 45.9 1.0 CAG A:9JO1101 4.1 54.6 1.0 CAJ A:9JO1101 4.2 51.3 1.0 OAE A:9JO1101 4.3 51.1 1.0 CG1 A:VAL726 4.3 45.0 1.0 N A:ILE744 4.3 40.2 1.0 CA A:LYS745 4.3 51.6 1.0 C A:ILE744 4.3 49.3 1.0 C5 A:9JO1101 4.4 42.0 1.0 CA A:ALA743 4.4 41.8 1.0 N A:MET790 4.5 37.5 1.0 CA A:ILE744 4.6 44.5 1.0 CAH A:9JO1101 4.7 57.7 1.0 NBR A:9JO1101 4.8 49.0 1.0 CA A:MET790 4.8 40.3 1.0 CG2 A:VAL726 4.8 47.3 1.0 C A:LEU788 4.9 43.8 1.0 C4 A:9JO1101 4.9 43.0 1.0 SD A:MET790 5.0 67.9 1.0

J.Yang, M.A.Shibu, L.Kong, J.Luo, F.Badrealamkhan, Y.Huang, Z.C.Tu, C.H.Yun, C.Y.Huang, K.Ding, X.Lu. Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides As New Selective Leucine-Zipper and Sterile-Alpha Motif Kinase (Zak) Inhibitors. J.Med.Chem. V. 63 2114 2020.
ISSN: ISSN 0022-2623
PubMed: 31244114
DOI: 10.1021/ACS.JMEDCHEM.9B00664