Fluorine in PDB 5s5t: Tubulin-Z198194394-Complex

The structure of Tubulin-Z198194394-Complex, PDB code: 5s5t 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 / 2.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.834, 158.225, 178.442, 90, 90, 90
R / Rfree (%)	21.1 / 25.6

The structure of Tubulin-Z198194394-Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Tubulin-Z198194394-Complex (pdb code 5s5t). 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-Z198194394-Complex, PDB code: 5s5t:

Fluorine binding site 1 out of 1 in the Tubulin-Z198194394-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z198194394-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:74.0 occ:1.00 F B:O1M505 0.0 74.0 1.0 C8 B:O1M505 1.4 72.9 1.0 C7 B:O1M505 2.3 70.6 1.0 C9 B:O1M505 2.3 74.4 1.0 H4 B:O1M505 2.5 84.7 1.0 H14 B:O1M505 2.5 89.4 1.0 CD1 B:LEU227 3.1 57.1 1.0 O B:THR223 3.2 58.9 1.0 C B:THR223 3.3 59.5 1.0 O B:PRO222 3.3 68.5 1.0 C B:PRO222 3.4 65.9 1.0 N B:THR223 3.6 63.2 1.0 C10 B:O1M505 3.6 72.8 1.0 C6 B:O1M505 3.6 71.9 1.0 CA B:THR223 3.6 57.1 1.0 CB B:PRO222 3.6 65.9 1.0 CD2 B:LEU227 3.7 54.3 1.0 N B:TYR224 3.9 56.4 1.0 CG B:LEU227 4.0 53.3 1.0 C5 B:O1M505 4.1 74.3 1.0 CD2 B:TYR210 4.1 68.4 1.0 CA B:PRO222 4.2 68.2 1.0 H3 B:O1M505 4.4 86.3 1.0 H5 B:O1M505 4.4 87.3 1.0 CA B:TYR224 4.5 51.8 1.0 CG1 B:VAL177 4.7 66.3 1.0 CE2 B:TYR210 4.7 69.8 1.0 CG B:PRO222 4.8 74.0 1.0 CB B:LEU227 4.9 55.4 1.0 CG2 B:VAL177 4.9 64.6 1.0 CD1 B:TYR224 5.0 50.0 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