Chlorine in PDB 7zyn: Crystal Structure of Egfr-T790M/C797S in Complex with WZ4002

All present enzymatic activity of Crystal Structure of Egfr-T790M/C797S in Complex with WZ4002:
2.7.10.1;

The structure of Crystal Structure of Egfr-T790M/C797S in Complex with WZ4002, PDB code: 7zyn was solved by J.Niggenaber, M.P.Mueller, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.74 / 2.30
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	144.6, 144.6, 144.6, 90, 90, 90
R / Rfree (%)	19.1 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Egfr-T790M/C797S in Complex with WZ4002 (pdb code 7zyn). 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-T790M/C797S in Complex with WZ4002, PDB code: 7zyn:

Chlorine binding site 1 out of 1 in the Crystal Structure of Egfr-T790M/C797S in Complex with 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-T790M/C797S in Complex with WZ4002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:62.4 occ:1.00 CL5 A:0UN1101 0.0 62.4 1.0 C5 A:0UN1101 1.8 57.1 1.0 C4 A:0UN1101 2.7 58.7 1.0 C6 A:0UN1101 2.8 56.7 1.0 OBB A:0UN1101 2.9 69.7 1.0 CE A:MET790 3.4 67.0 1.0 SD A:MET790 3.5 61.0 1.0 CB A:ALA743 3.7 47.4 1.0 N3 A:0UN1101 4.0 55.8 1.0 N1 A:0UN1101 4.0 51.7 1.0 CB A:MET790 4.0 46.6 1.0 O A:HOH1252 4.2 73.9 1.0 CD1 A:LEU844 4.2 48.4 1.0 CBG A:0UN1101 4.3 71.0 1.0 CG A:MET790 4.4 52.2 1.0 C2 A:0UN1101 4.5 61.0 1.0 O A:GLN791 4.5 45.9 1.0 OG1 A:THR854 4.8 69.6 1.0 CG1 A:VAL726 4.9 60.9 1.0

T.Grabe, K.Jeyakumar, J.Niggenaber, T.Schulz, S.Koska, S.Kleinbolting, M.E.Beck, M.P.Muller, D.Rauh. Addressing the Osimertinib Resistance Mutation Egfr-L858R/C797S with Reversible Aminopyrimidines Acs Med.Chem.Lett. 2023.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.2C00514