Chlorine in PDB 8wd4: Egfr(L858R/T790/C797S) in Complex with Compound 5J

The structure of Egfr(L858R/T790/C797S) in Complex with Compound 5J, PDB code: 8wd4 was solved by Y.Nishikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.96 / 2.55
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	145.327, 145.327, 145.327, 90, 90, 90
R / Rfree (%)	19.9 / 23

The structure of Egfr(L858R/T790/C797S) in Complex with Compound 5J also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Egfr(L858R/T790/C797S) in Complex with Compound 5J (pdb code 8wd4). 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(L858R/T790/C797S) in Complex with Compound 5J, PDB code: 8wd4:

Chlorine binding site 1 out of 1 in the Egfr(L858R/T790/C797S) in Complex with Compound 5J


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Egfr(L858R/T790/C797S) in Complex with Compound 5J within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1102 b:85.4 occ:1.00 NH2 A:ARG831 3.8 67.3 1.0 ND2 A:ASN700 4.2 50.6 1.0 CD2 A:LEU861 4.3 79.7 1.0 CB A:SER768 4.4 51.7 1.0 O A:ARG831 4.4 60.7 1.0 CZ A:ARG831 4.5 73.5 1.0 CD1 A:LEU833 4.5 60.0 1.0 CG A:ASN700 4.8 50.5 1.0 OG A:SER768 4.9 54.4 1.0 CE1 A:TYR764 5.0 48.5 1.0

H.Kageji, T.Momose, Y.Nagamoto, N.Togashi, I.Yasumatsu, Y.Nishikawa, K.Kihara, K.Hiramoto, M.Minami, N.Kasanuki, T.Isoyama, H.Naito. Synthesis, Activity, and Their Relationships of 2,4-Diaminonicotinamide Derivatives As Egfr Inhibitors Targeting C797S Mutation. Bioorg.Med.Chem.Lett. 29575 2023.
ISSN: ESSN 1464-3405
PubMed: 38065292
DOI: 10.1016/J.BMCL.2023.129575