Fluorine in PDB 5s5x: Tubulin-Z45705015-Complex

The structure of Tubulin-Z45705015-Complex, PDB code: 5s5x 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)	63.41 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.96, 159.13, 178.6, 90, 90, 90
R / Rfree (%)	20.7 / 24.3

The structure of Tubulin-Z45705015-Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Tubulin-Z45705015-Complex (pdb code 5s5x). 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-Z45705015-Complex, PDB code: 5s5x:

Fluorine binding site 1 out of 1 in the Tubulin-Z45705015-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z45705015-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:96.5 occ:1.00 F B:S9S505 0.0 96.5 1.0 C6 B:S9S505 1.4 93.3 1.0 C7 B:S9S505 2.3 90.0 1.0 C5 B:S9S505 2.3 95.6 1.0 H3 B:S9S505 2.5 108.1 1.0 H2 B:S9S505 2.5 114.8 1.0 O B:PRO222 3.1 75.1 1.0 C B:PRO222 3.2 74.2 1.0 CB B:PRO222 3.3 71.2 1.0 CD1 B:LEU227 3.5 69.6 1.0 C8 B:S9S505 3.6 92.1 1.0 C4 B:S9S505 3.6 97.2 1.0 N B:THR223 3.6 70.2 1.0 CD2 B:TYR210 3.7 79.7 1.0 O B:THR223 3.8 64.5 1.0 C B:THR223 3.8 65.9 1.0 CA B:THR223 3.9 66.5 1.0 CA B:PRO222 3.9 75.5 1.0 CE2 B:TYR210 4.1 84.2 1.0 CD2 B:LEU227 4.1 55.3 1.0 C3 B:S9S505 4.1 95.1 1.0 CG B:PRO222 4.3 80.5 1.0 H4 B:S9S505 4.4 110.6 1.0 H1 B:S9S505 4.4 116.7 1.0 CG B:LEU227 4.4 61.9 1.0 N B:TYR224 4.4 63.1 1.0 N B:PRO222 4.7 74.9 1.0 CD B:PRO222 4.8 78.5 1.0 CG1 B:VAL177 4.8 68.7 1.0 CG B:TYR210 4.9 71.9 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