Fluorine in PDB 4tyj: Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase

All present enzymatic activity of Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase:
2.7.10.1;

The structure of Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase, PDB code: 4tyj was solved by E.Lesca, A.Lammens, R.Huber, M.Augustin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.03 / 2.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.281, 66.281, 176.033, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.7

The binding sites of Fluorine atom in the Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase (pdb code 4tyj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase, PDB code: 4tyj:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:48.9 occ:1.00 F1 A:0LI801 0.0 48.9 1.0 C19 A:0LI801 1.4 43.0 1.0 F3 A:0LI801 2.3 45.5 1.0 F2 A:0LI801 2.3 43.9 1.0 C17 A:0LI801 2.4 44.1 1.0 C18 A:0LI801 2.7 42.2 1.0 O A:ILE628 2.9 39.0 1.0 CA A:ALA629 3.5 39.9 1.0 C A:ILE628 3.5 38.4 1.0 CG2 A:ILE533 3.5 46.5 1.0 C16 A:0LI801 3.7 41.0 1.0 N A:ALA629 3.8 40.0 1.0 C A:ALA629 4.0 38.5 1.0 C13 A:0LI801 4.1 45.1 1.0 CG2 A:ILE534 4.1 41.5 1.0 CG2 A:ILE628 4.2 38.3 1.0 O A:ALA629 4.4 36.7 1.0 C20 A:0LI801 4.4 39.1 1.0 N A:ASP630 4.5 44.4 1.0 CB A:ILE628 4.6 39.1 1.0 N A:ILE534 4.6 45.5 1.0 O1 A:0LI801 4.7 47.8 1.0 CA A:ILE628 4.7 38.2 1.0 CB A:ALA629 4.8 40.7 1.0 CB A:ILE533 4.8 47.4 1.0 C15 A:0LI801 4.8 43.2 1.0 CD1 A:ILE533 4.9 50.0 1.0 N2 A:0LI801 4.9 46.6 1.0 C14 A:0LI801 5.0 46.0 1.0

Fluorine binding site 2 out of 3 in the Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:43.9 occ:1.00 F2 A:0LI801 0.0 43.9 1.0 C19 A:0LI801 1.4 43.0 1.0 F3 A:0LI801 2.3 45.5 1.0 F1 A:0LI801 2.3 48.9 1.0 C17 A:0LI801 2.4 44.1 1.0 C20 A:0LI801 2.9 39.1 1.0 C16 A:0LI801 3.0 41.0 1.0 CD1 A:ILE527 3.2 52.5 1.0 C18 A:0LI801 3.5 42.2 1.0 CD1 A:LEU603 4.0 55.9 1.0 CG2 A:ILE533 4.1 46.5 1.0 CD2 A:LEU603 4.2 51.6 1.0 C15 A:0LI801 4.3 43.2 1.0 CG A:LEU603 4.4 53.6 1.0 N3 A:0LI801 4.4 38.3 1.0 CG1 A:ILE527 4.6 53.3 1.0 C13 A:0LI801 4.7 45.1 1.0 CG2 A:ILE527 4.9 52.2 1.0 CD2 A:HIS610 4.9 38.3 1.0 C21 A:0LI801 4.9 41.7 1.0 C14 A:0LI801 5.0 46.0 1.0

Fluorine binding site 3 out of 3 in the Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:45.5 occ:1.00 F3 A:0LI801 0.0 45.5 1.0 C19 A:0LI801 1.4 43.0 1.0 F1 A:0LI801 2.3 48.9 1.0 F2 A:0LI801 2.3 43.9 1.0 C17 A:0LI801 2.4 44.1 1.0 C16 A:0LI801 3.0 41.0 1.0 CD2 A:HIS610 3.1 38.3 1.0 C20 A:0LI801 3.2 39.1 1.0 NE2 A:HIS610 3.2 37.2 1.0 C18 A:0LI801 3.4 42.2 1.0 O A:ALA629 3.5 36.7 1.0 C A:ALA629 3.7 38.5 1.0 CG2 A:ILE628 3.8 38.3 1.0 CA A:ALA629 4.1 39.9 1.0 N A:ASP630 4.2 44.4 1.0 CB A:ASP630 4.2 49.6 1.0 N A:ALA629 4.3 40.0 1.0 CG A:HIS610 4.3 39.0 1.0 C15 A:0LI801 4.3 43.2 1.0 CD2 A:LEU603 4.3 51.6 1.0 CE1 A:HIS610 4.3 33.9 1.0 N3 A:0LI801 4.4 38.3 1.0 C24 A:0LI801 4.4 36.9 1.0 O A:ILE628 4.4 39.0 1.0 C A:ILE628 4.4 38.4 1.0 C13 A:0LI801 4.5 45.1 1.0 CA A:ASP630 4.8 48.2 1.0 CB A:ILE628 4.8 39.1 1.0 ND1 A:HIS610 4.9 33.3 1.0 C14 A:0LI801 4.9 46.0 1.0

E.Lesca, A.Lammens, R.Huber, M.Augustin. Structural Analysis of the Human Fibroblast Growth Factor Receptor 4 Kinase. J.Mol.Biol. 2014.
ISSN: ESSN 1089-8638
PubMed: 25219510
DOI: 10.1016/J.JMB.2014.09.004