Chlorine in PDB 7u99: Egfr Kinase in Complex with A Macrocyclic Inhibitor

All present enzymatic activity of Egfr Kinase in Complex with A Macrocyclic Inhibitor:
2.7.10.1;

The structure of Egfr Kinase in Complex with A Macrocyclic Inhibitor, PDB code: 7u99 was solved by T.S.Beyett, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	102.91 / 2.50
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	145.532, 145.532, 145.532, 90, 90, 90
R / Rfree (%)	18.7 / 21.4

The binding sites of Chlorine atom in the Egfr Kinase in Complex with A Macrocyclic Inhibitor (pdb code 7u99). 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 Kinase in Complex with A Macrocyclic Inhibitor, PDB code: 7u99:

Chlorine binding site 1 out of 1 in the Egfr Kinase in Complex with A Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Egfr Kinase in Complex with A Macrocyclic Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:75.4 occ:1.00 CL01 A:M0R1101 0.0 75.4 1.0 C02 A:M0R1101 1.7 62.4 1.0 C03 A:M0R1101 2.7 55.4 1.0 C30 A:M0R1101 2.7 53.3 1.0 CB A:LEU788 3.6 61.9 1.0 CB A:LYS745 3.8 67.9 1.0 CG2 A:THR790 3.9 52.9 1.0 SD A:MET766 4.0 65.6 1.0 C04 A:M0R1101 4.0 58.5 1.0 CB A:THR790 4.0 49.9 1.0 C06 A:M0R1101 4.0 52.9 1.0 CD1 A:LEU788 4.0 65.3 1.0 CD A:LYS745 4.2 69.9 1.0 CE A:MET766 4.2 57.1 1.0 O A:LEU788 4.3 59.9 1.0 CG A:LEU788 4.4 74.3 1.0 C05 A:M0R1101 4.5 63.5 1.0 C A:LEU788 4.5 58.3 1.0 CG A:LYS745 4.6 69.9 1.0 CA A:LEU788 4.7 59.8 1.0 OG1 A:THR790 4.8 59.6 1.0 CE A:LYS745 4.9 75.1 1.0 OE2 A:GLU762 4.9 81.0 1.0 CD1 A:LEU777 4.9 54.9 1.0 O A:HOH1222 4.9 65.7 1.0 N A:LYS745 4.9 65.2 1.0 N A:THR790 4.9 50.6 1.0

J.A.Amrhein, T.S.Beyett, W.W.Feng, A.Kramer, J.Weckesser, I.K.Schaeffner, J.K.Rana, P.A.Janne, M.J.Eck, S.Knapp, T.Hanke. Macrocyclization of Quinazoline-Based Egfr Inhibitors Leads to Exclusive Mutant Selectivity For Egfr L858R and DEL19. J.Med.Chem. V. 65 15679 2022.
ISSN: ISSN 0022-2623
PubMed: 36384036
DOI: 10.1021/ACS.JMEDCHEM.2C01041