Chlorine in PDB 7aei: Studies Towards A Reversible Egfr C797S Triple Mutant Inhibitor Series

All present enzymatic activity of Studies Towards A Reversible Egfr C797S Triple Mutant Inhibitor Series:
2.7.10.1;

The structure of Studies Towards A Reversible Egfr C797S Triple Mutant Inhibitor Series, PDB code: 7aei was solved by D.Hargreaves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.06 / 2.65
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	145.65, 145.65, 145.65, 90, 90, 90
R / Rfree (%)	19.4 / 23.4

The binding sites of Chlorine atom in the Studies Towards A Reversible Egfr C797S Triple Mutant Inhibitor Series (pdb code 7aei). 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 Studies Towards A Reversible Egfr C797S Triple Mutant Inhibitor Series, PDB code: 7aei:

Chlorine binding site 1 out of 1 in the Studies Towards A Reversible Egfr C797S Triple Mutant Inhibitor Series


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Studies Towards A Reversible Egfr C797S Triple Mutant Inhibitor Series within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:88.1 occ:1.00 CL A:R851101 0.0 88.1 1.0 C20 A:R851101 1.7 87.8 1.0 C19 A:R851101 2.7 86.6 1.0 C21 A:R851101 2.7 87.3 1.0 N7 A:R851101 3.0 90.9 1.0 OG1 A:THR790 3.5 79.7 1.0 O1 A:R851101 3.5 101.2 1.0 CD1 A:LEU844 4.0 74.3 1.0 N5 A:R851101 4.0 84.9 1.0 N6 A:R851101 4.0 83.5 1.0 CB A:ALA743 4.1 75.5 1.0 NZ A:LYS745 4.3 124.0 1.0 C22 A:R851101 4.4 92.4 1.0 C18 A:R851101 4.4 83.7 1.0 OG1 A:THR854 4.6 91.8 1.0 CB A:THR790 4.7 81.0 1.0 CG1 A:VAL726 4.7 109.5 1.0 P A:R851101 4.8 98.7 1.0 O A:GLN791 4.9 73.7 1.0

N.Floch, M.R.V.Finlay, A.Bianco, S.Bickerton, N.Colclough, D.A.Cross, E.M.Cuomo, C.M.Guerot, D.Hargreaves, M.J.Martin, D.Mckerrecher, D.J.O'neill, J.P.Orme, A.Rahi, P.D.Smith, R.A.Ward. Abstract 4451: Evaluation of the Therapeutic Potential of Phosphine Oxide Pyrazole Inhibitors in Tumors Harboring Egfr C797S Mutation Cancer Res. V. 79 4451 2019.
ISSN: ESSN 1538-7445
DOI: 10.1158/1538-7445.AM2019-4451