Fluorine in PDB 5xdk: Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686

All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686:
2.7.10.1;

The structure of Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686, PDB code: 5xdk was solved by X.E.Yan, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.99 / 2.35
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	145.471, 145.471, 145.471, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 24.8

The binding sites of Fluorine atom in the Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686 (pdb code 5xdk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686, PDB code: 5xdk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:38.5 occ:1.00 FAG A:8JC1101 0.0 38.5 1.0 CBT A:8JC1101 1.1 37.7 1.0 FAI A:8JC1101 1.9 32.1 1.0 FAH A:8JC1101 1.9 37.0 1.0 C5 A:8JC1101 2.1 30.4 1.0 NBC A:8JC1101 2.7 36.0 1.0 C4 A:8JC1101 2.7 28.9 1.0 C6 A:8JC1101 3.2 29.2 1.0 CD1 A:LEU844 3.4 29.5 1.0 O A:HOH1222 3.6 35.7 1.0 O A:HOH1283 3.9 37.8 1.0 CBJ A:8JC1101 4.0 36.2 1.0 N3 A:8JC1101 4.0 29.8 1.0 N1 A:8JC1101 4.4 26.6 1.0 OG1 A:THR854 4.4 35.9 1.0 CG A:LEU844 4.6 28.5 1.0 C2 A:8JC1101 4.7 28.4 1.0 SD A:MET790 4.7 43.1 1.0 CE A:MET790 4.7 32.1 1.0 CAQ A:8JC1101 4.7 32.5 1.0 CD2 A:LEU844 4.8 32.1 1.0 CAM A:8JC1101 4.9 33.3 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:37.0 occ:1.00 FAH A:8JC1101 0.0 37.0 1.0 CBT A:8JC1101 1.2 37.7 1.0 FAG A:8JC1101 1.9 38.5 1.0 FAI A:8JC1101 2.0 32.1 1.0 C5 A:8JC1101 2.1 30.4 1.0 C4 A:8JC1101 2.9 28.9 1.0 NBC A:8JC1101 2.9 36.0 1.0 C6 A:8JC1101 3.1 29.2 1.0 CB A:ALA743 3.7 23.1 1.0 CE A:MET790 3.7 32.1 1.0 CG1 A:VAL726 3.9 36.3 1.0 CBJ A:8JC1101 4.1 36.2 1.0 N3 A:8JC1101 4.1 29.8 1.0 CG2 A:VAL726 4.3 32.5 1.0 N1 A:8JC1101 4.3 26.6 1.0 SD A:MET790 4.4 43.1 1.0 CAM A:8JC1101 4.4 33.3 1.0 O A:HOH1283 4.5 37.8 1.0 O A:HOH1222 4.7 35.7 1.0 C2 A:8JC1101 4.7 28.4 1.0 CB A:VAL726 4.7 41.9 1.0 CB A:MET790 4.9 22.8 1.0 CA A:ALA743 5.0 27.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Egfr 696-1022 T790M in Complex with Co-1686 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:32.1 occ:1.00 FAI A:8JC1101 0.0 32.1 1.0 CBT A:8JC1101 1.2 37.7 1.0 FAG A:8JC1101 1.9 38.5 1.0 FAH A:8JC1101 2.0 37.0 1.0 C5 A:8JC1101 2.1 30.4 1.0 C6 A:8JC1101 2.5 29.2 1.0 O A:HOH1222 3.2 35.7 1.0 C4 A:8JC1101 3.4 28.9 1.0 CE A:MET790 3.7 32.1 1.0 CB A:ALA743 3.8 23.1 1.0 CB A:MET790 3.8 22.8 1.0 SD A:MET790 3.8 43.1 1.0 N1 A:8JC1101 3.8 26.6 1.0 NBC A:8JC1101 4.0 36.0 1.0 CD1 A:LEU844 4.0 29.5 1.0 O A:GLN791 4.1 23.4 1.0 CG A:MET790 4.3 30.7 1.0 N3 A:8JC1101 4.5 29.8 1.0 C2 A:8JC1101 4.6 28.4 1.0 O A:HOH1283 4.8 37.8 1.0

X.E.Yan, S.J.Zhu, L.Liang, P.Zhao, H.G.Choi, C.H.Yun. Structural Basis of Mutant-Selectivity and Drug-Resistance Related to Co-1686. Oncotarget V. 8 53508 2017.
ISSN: ESSN 1949-2553
PubMed: 28881827
DOI: 10.18632/ONCOTARGET.18588