Fluorine in PDB 5s4u: Tubulin-Z30620520-Complex

The structure of Tubulin-Z30620520-Complex, PDB code: 5s4u was solved by T.Muehlethaler, D.Gioia, A.E.Prota, M.E.Sharpe, A.Cavalli, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.56 / 2.39
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.88, 158.88, 178.91, 90, 90, 90
R / Rfree (%)	21.1 / 25.2

The structure of Tubulin-Z30620520-Complex also contains other interesting chemical elements:

Magnesium	(Mg)	5 atoms
Calcium	(Ca)	4 atoms

The binding sites of Fluorine atom in the Tubulin-Z30620520-Complex (pdb code 5s4u). 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 Tubulin-Z30620520-Complex, PDB code: 5s4u:

Fluorine binding site 1 out of 1 in the Tubulin-Z30620520-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z30620520-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:78.6 occ:1.00 F B:GX4505 0.0 78.6 1.0 C B:GX4505 1.3 78.3 1.0 C1 B:GX4505 2.4 81.1 1.0 C5 B:GX4505 2.4 79.2 1.0 H17 B:GX4505 2.5 97.3 1.0 H2 B:GX4505 2.5 95.1 1.0 CG2 A:THR179 3.2 75.2 1.0 C B:THR353 3.2 67.0 1.0 O B:THR353 3.3 66.5 1.0 N B:THR353 3.3 66.1 1.0 CB B:LYS352 3.5 64.0 1.0 C B:LYS352 3.5 72.2 1.0 N B:ALA354 3.6 72.0 1.0 CB B:ALA354 3.6 80.6 1.0 C2 B:GX4505 3.6 81.2 1.0 C4 B:GX4505 3.6 80.1 1.0 CA B:THR353 3.7 67.7 1.0 CB A:THR179 3.8 72.6 1.0 O B:LYS352 3.9 70.1 1.0 CA B:ALA354 4.1 79.5 1.0 C3 B:GX4505 4.1 81.3 1.0 CA B:LYS352 4.2 68.0 1.0 H16 B:GX4505 4.4 97.5 1.0 H1 B:GX4505 4.4 96.1 1.0 O B:ALA317 4.5 71.0 1.0 CA A:THR179 4.7 70.2 1.0 CG B:LYS352 4.7 71.9 1.0 OG1 A:THR179 4.9 70.2 1.0 O B:HOH644 4.9 68.9 1.0

T.Muhlethaler, D.Gioia, A.E.Prota, M.E.Sharpe, A.Cavalli, M.O.Steinmetz. Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl. V. 60 13331 2021.
ISSN: ESSN 1521-3773
PubMed: 33951246
DOI: 10.1002/ANIE.202100273