Chlorine in PDB 8u8x: Crystal Structure of the Receptor Tyrosine Kinase Human HER2 (ERBB2) Yvma Mutant Kinase Domain in Complex with Inhibitor Compound 27

The structure of Crystal Structure of the Receptor Tyrosine Kinase Human HER2 (ERBB2) Yvma Mutant Kinase Domain in Complex with Inhibitor Compound 27, PDB code: 8u8x was solved by J.Wang, T.C.Mou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 1.69
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	59.42, 59.42, 82.484, 90, 90, 120
R / Rfree (%)	16.5 / 20.3

The binding sites of Chlorine atom in the Crystal Structure of the Receptor Tyrosine Kinase Human HER2 (ERBB2) Yvma Mutant Kinase Domain in Complex with Inhibitor Compound 27 (pdb code 8u8x). 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 the Receptor Tyrosine Kinase Human HER2 (ERBB2) Yvma Mutant Kinase Domain in Complex with Inhibitor Compound 27, PDB code: 8u8x:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Receptor Tyrosine Kinase Human HER2 (ERBB2) Yvma Mutant Kinase Domain in Complex with Inhibitor Compound 27


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 the Receptor Tyrosine Kinase Human HER2 (ERBB2) Yvma Mutant Kinase Domain in Complex with Inhibitor Compound 27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1103 b:23.1 occ:1.00 O A:HOH1360 2.9 20.9 1.0 N A:ASP966 3.4 18.2 1.0 N A:ILE965 3.4 16.7 1.0 CB A:ASP966 3.9 17.5 1.0 CB A:ILE965 4.0 16.4 1.0 CA A:ILE965 4.0 14.6 1.0 CB A:MET964 4.1 18.1 1.0 C A:ILE965 4.2 16.2 1.0 C A:MET964 4.2 14.9 1.0 CA A:ASP966 4.2 17.4 1.0 CA A:MET964 4.3 16.4 1.0 CG A:MET964 4.5 22.8 1.0 CG1 A:ILE965 4.5 19.4 1.0

E.J.Hicken, K.Brown, N.C.Dwulet, J.J.Gaudino, E.P.Hansen, D.P.Hartley, J.P.Kowalski, E.R.Laird, N.C.Lazzara, B.Li, T.C.Mou, M.F.Mutryn, L.Oko, S.Pajk, R.W.Pipal, R.Z.Rosen, R.Shelp, A.Singh, J.Wang, C.E.Wise, C.Wong, J.Y.Wong. Discovery of Potent and Selective Covalent Inhibitors of HER2 Wt and HER2 Yvma. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 38820338
DOI: 10.1021/ACS.JMEDCHEM.4C00978