Fluorine in PDB 5s62: Tubulin-Z100642432-Complex

The structure of Tubulin-Z100642432-Complex, PDB code: 5s62 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)	63.60 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.48, 159.44, 179.83, 90, 90, 90
R / Rfree (%)	21.1 / 26.7

The structure of Tubulin-Z100642432-Complex also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Bromine	(Br)	1 atom
Magnesium	(Mg)	5 atoms

The binding sites of Fluorine atom in the Tubulin-Z100642432-Complex (pdb code 5s62). 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-Z100642432-Complex, PDB code: 5s62:

Fluorine binding site 1 out of 1 in the Tubulin-Z100642432-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z100642432-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:113.0 occ:1.00 F B:WJ7505 0.0 113.0 1.0 C6 B:WJ7505 1.4 110.0 1.0 C7 B:WJ7505 2.4 114.7 1.0 C5 B:WJ7505 2.4 106.3 1.0 H8 B:WJ7505 2.5 137.9 1.0 H7 B:WJ7505 2.5 127.8 1.0 CD1 B:LEU227 3.3 79.7 1.0 CD2 B:LEU227 3.6 76.6 1.0 C4 B:WJ7505 3.6 107.0 1.0 C8 B:WJ7505 3.6 116.3 1.0 CD1 B:TYR210 3.6 82.1 1.0 CB B:PRO222 3.7 90.8 1.0 O B:PRO222 3.7 96.8 1.0 C B:PRO222 3.9 96.1 1.0 CG B:LEU227 4.0 78.8 1.0 C3 B:WJ7505 4.1 112.3 1.0 N B:THR223 4.2 93.0 1.0 C B:THR223 4.3 83.4 1.0 CG1 B:VAL177 4.3 91.0 1.0 O B:THR223 4.3 86.8 1.0 CE1 B:TYR210 4.4 90.8 1.0 H6 B:WJ7505 4.4 128.6 1.0 CA B:PRO222 4.4 91.6 1.0 CA B:THR223 4.4 89.4 1.0 CG2 B:VAL177 4.5 87.1 1.0 CG B:PRO222 4.5 90.7 1.0 CG B:TYR210 4.5 89.9 1.0 CB B:TYR210 4.5 86.2 1.0 N B:TYR224 4.7 88.6 1.0 CA B:TYR210 4.9 87.8 1.0 CD B:PRO222 5.0 95.9 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