Fluorine in PDB 5xdl: Crystal Structure of Egfr 696-1022 L858R in Complex with Co-1686

All present enzymatic activity of Crystal Structure of Egfr 696-1022 L858R in Complex with Co-1686:
2.7.10.1;

The structure of Crystal Structure of Egfr 696-1022 L858R in Complex with Co-1686, PDB code: 5xdl was solved by X.E.Yan, S.J.Zhu, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.36 / 2.70
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	143.543, 143.543, 143.543, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.6

The binding sites of Fluorine atom in the Crystal Structure of Egfr 696-1022 L858R in Complex with Co-1686 (pdb code 5xdl). 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 L858R in Complex with Co-1686, PDB code: 5xdl:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Egfr 696-1022 L858R 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 L858R in Complex with Co-1686 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:75.4 occ:1.00 FAG A:8JC1101 0.0 75.4 1.0 CBT A:8JC1101 1.4 71.3 1.0 FAH A:8JC1101 2.2 71.7 1.0 FAI A:8JC1101 2.3 65.5 1.0 C5 A:8JC1101 2.3 71.9 1.0 CD1 A:LEU844 3.0 66.8 1.0 C4 A:8JC1101 3.1 66.7 1.0 NBC A:8JC1101 3.1 68.7 1.0 C6 A:8JC1101 3.3 61.6 1.0 OG1 A:THR854 4.1 78.8 1.0 CG A:LEU844 4.2 65.9 1.0 N3 A:8JC1101 4.3 60.5 1.0 CBJ A:8JC1101 4.3 73.2 1.0 CD2 A:LEU844 4.4 63.1 1.0 N1 A:8JC1101 4.5 57.9 1.0 CG2 A:THR854 4.8 70.6 1.0 CB A:THR854 4.8 69.6 1.0 CAQ A:8JC1101 4.9 71.2 1.0 C2 A:8JC1101 4.9 63.3 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Egfr 696-1022 L858R 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 L858R in Complex with Co-1686 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:71.7 occ:1.00 FAH A:8JC1101 0.0 71.7 1.0 CBT A:8JC1101 1.3 71.3 1.0 FAG A:8JC1101 2.2 75.4 1.0 FAI A:8JC1101 2.2 65.5 1.0 C5 A:8JC1101 2.3 71.9 1.0 NBC A:8JC1101 2.7 68.7 1.0 C4 A:8JC1101 2.9 66.7 1.0 C6 A:8JC1101 3.4 61.6 1.0 CG1 A:VAL726 3.7 70.2 1.0 CBJ A:8JC1101 4.0 73.2 1.0 N3 A:8JC1101 4.1 60.5 1.0 CG2 A:VAL726 4.2 72.9 1.0 CB A:ALA743 4.4 62.9 1.0 CE A:LYS745 4.4 96.0 1.0 CAM A:8JC1101 4.6 76.2 1.0 N1 A:8JC1101 4.6 57.9 1.0 CB A:VAL726 4.6 81.4 1.0 OG1 A:THR790 4.7 67.9 1.0 C2 A:8JC1101 4.9 63.3 1.0 CD1 A:LEU844 5.0 66.8 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Egfr 696-1022 L858R 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 L858R in Complex with Co-1686 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:65.5 occ:1.00 FAI A:8JC1101 0.0 65.5 1.0 CBT A:8JC1101 1.4 71.3 1.0 FAH A:8JC1101 2.2 71.7 1.0 FAG A:8JC1101 2.3 75.4 1.0 C5 A:8JC1101 2.3 71.9 1.0 C6 A:8JC1101 2.6 61.6 1.0 OG1 A:THR790 3.1 67.9 1.0 C4 A:8JC1101 3.6 66.7 1.0 CB A:ALA743 3.8 62.9 1.0 N1 A:8JC1101 4.0 57.9 1.0 CD1 A:LEU844 4.1 66.8 1.0 O A:GLN791 4.2 60.1 1.0 NBC A:8JC1101 4.2 68.7 1.0 CB A:THR790 4.3 65.6 1.0 N3 A:8JC1101 4.7 60.5 1.0 C2 A:8JC1101 4.9 63.3 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