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Fluorine in PDB 4wkq: 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib

Enzymatic activity of 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib

All present enzymatic activity of 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib:
2.7.10.1;

Protein crystallography data

The structure of 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib, PDB code: 4wkq was solved by Y.Yosaatmadja, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 1.85
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 143.714, 143.714, 143.714, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 22.5

Other elements in 4wkq:

The structure of 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib (pdb code 4wkq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib, PDB code: 4wkq:

Fluorine binding site 1 out of 1 in 4wkq

Go back to Fluorine Binding Sites List in 4wkq
Fluorine binding site 1 out of 1 in the 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:48.9
occ:1.00
FAB A:IRE1101 0.0 48.9 1.0
CAW A:IRE1101 1.3 46.7 1.0
CAX A:IRE1101 2.4 46.4 1.0
CAD A:IRE1101 2.4 47.5 1.0
CL A:IRE1101 3.0 45.8 1.0
OE2 A:GLU762 3.4 42.3 1.0
SD A:MET766 3.4 41.1 1.0
O A:HOH1279 3.4 38.6 1.0
CAG A:IRE1101 3.6 47.4 1.0
CD1 A:LEU788 3.6 45.1 1.0
CAE A:IRE1101 3.6 43.7 1.0
CD A:LYS745 3.7 57.8 1.0
CE A:MET766 3.8 41.7 1.0
CAY A:IRE1101 4.1 46.2 1.0
NZ A:LYS745 4.2 58.8 1.0
CE A:LYS745 4.3 59.5 1.0
CB A:LYS745 4.3 53.3 1.0
CB A:LEU788 4.3 42.6 1.0
CD A:GLU762 4.3 41.2 1.0
CG A:LYS745 4.5 55.6 1.0
CG A:LEU788 4.5 46.3 1.0
O A:HOH1320 4.8 39.3 1.0
CG A:GLU762 4.8 39.2 1.0
OG1 A:THR854 4.9 35.3 1.0

Reference:

Y.Yosaatmadja, C.J.Squire, M.Mckeage, J.U.Flanagan. 1.85 Angstrom Structure of Egfr Kinase Domain with Gefitinib To Be Published.
Page generated: Sun Dec 13 12:14:26 2020

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