Fluorine in PDB 5s5s: Tubulin-Z166605480-Complex

The structure of Tubulin-Z166605480-Complex, PDB code: 5s5s 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)	72.32 / 2.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.55, 158.051, 179.339, 90, 90, 90
R / Rfree (%)	21.2 / 25.4

The structure of Tubulin-Z166605480-Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Tubulin-Z166605480-Complex (pdb code 5s5s). 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-Z166605480-Complex, PDB code: 5s5s:

Fluorine binding site 1 out of 1 in the Tubulin-Z166605480-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z166605480-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:53.4 occ:1.00 F1 B:VWA505 0.0 53.4 1.0 C7 B:VWA505 1.4 52.6 1.0 C6 B:VWA505 2.3 48.6 1.0 C8 B:VWA505 2.3 53.5 1.0 H10 B:VWA505 2.5 58.4 1.0 H11 B:VWA505 2.5 64.3 1.0 CD2 B:TYR210 3.2 50.6 1.0 CD1 B:LEU227 3.4 49.1 1.0 CB B:PRO222 3.5 54.4 1.0 O B:PRO222 3.6 50.4 1.0 C5 B:VWA505 3.6 48.9 1.0 C9 B:VWA505 3.6 54.9 1.0 CD2 B:LEU227 3.6 39.8 1.0 CE2 B:TYR210 3.7 51.8 1.0 C B:PRO222 3.7 52.7 1.0 CG2 B:VAL177 4.1 45.5 1.0 O B:THR223 4.1 50.3 1.0 C4 B:VWA505 4.1 51.6 1.0 CG B:LEU227 4.1 48.2 1.0 N B:THR223 4.2 49.2 1.0 CG1 B:VAL177 4.2 43.1 1.0 C B:THR223 4.3 45.2 1.0 CA B:PRO222 4.3 55.5 1.0 CG B:TYR210 4.3 48.9 1.0 H9 B:VWA505 4.4 58.8 1.0 H12 B:VWA505 4.4 66.0 1.0 CA B:THR223 4.4 47.3 1.0 CG B:PRO222 4.5 57.8 1.0 CB B:TYR210 4.6 46.0 1.0 CB B:VAL177 4.8 48.8 1.0 N B:TYR224 4.9 45.8 1.0 CA B:TYR210 4.9 50.1 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