Calcium in PDB 9by4: Co-Crystal Structure of the Kinase Domain of Egfr with Non-Covalent Osimertinib

All present enzymatic activity of Co-Crystal Structure of the Kinase Domain of Egfr with Non-Covalent Osimertinib:
2.7.10.1;

The structure of Co-Crystal Structure of the Kinase Domain of Egfr with Non-Covalent Osimertinib, PDB code: 9by4 was solved by K.D.Ashtekar, S.E.Stayrook, M.A.Lemmon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.16 / 2.31
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	145.968, 145.968, 145.968, 90, 90, 90
R / Rfree (%)	19.6 / 22

The binding sites of Calcium atom in the Co-Crystal Structure of the Kinase Domain of Egfr with Non-Covalent Osimertinib (pdb code 9by4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Co-Crystal Structure of the Kinase Domain of Egfr with Non-Covalent Osimertinib, PDB code: 9by4:

Calcium binding site 1 out of 1 in the Co-Crystal Structure of the Kinase Domain of Egfr with Non-Covalent Osimertinib


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Co-Crystal Structure of the Kinase Domain of Egfr with Non-Covalent Osimertinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1303 b:115.7 occ:1.00 OD2 A:ASP1008 2.8 79.9 1.0 OD1 A:ASP1008 2.8 84.1 1.0 CG A:ASP1008 3.2 80.3 1.0 CG A:PRO733 3.7 79.0 1.0 CB A:PRO733 4.3 83.7 1.0 CH2 A:TRP731 4.4 69.5 1.0 NH1 A:ARG705 4.6 104.3 1.0 CD1 A:ILE740 4.6 72.3 1.0 CB A:ASP1008 4.7 68.5 1.0 CZ3 A:TRP731 4.7 69.0 1.0 CG2 A:VAL738 4.8 77.2 1.0 O A:VAL1010 4.8 119.7 1.0 C A:VAL1010 4.9 119.2 1.0 CD A:PRO733 4.9 76.0 1.0 NH2 A:ARG705 5.0 114.2 1.0

Y.Tsutsui, K.D.Ashtekar, S.Stayrook, M.A.Lemmon. Comprehensive Characterization of Egfr-Tyrosine Kinase Inhibitor Interactions Probed By Hydrogen-Deuterium Exchange and Mass Spectrometry (Hdx-Ms) To Be Published.