Fluorine in PDB 5s5p: Tubulin-Z53825177-Complex

The structure of Tubulin-Z53825177-Complex, PDB code: 5s5p 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)	80.32 / 2.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.71, 160.63, 179.04, 90, 90, 90
R / Rfree (%)	22.4 / 26.5

The structure of Tubulin-Z53825177-Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Tubulin-Z53825177-Complex (pdb code 5s5p). 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-Z53825177-Complex, PDB code: 5s5p:

Fluorine binding site 1 out of 1 in the Tubulin-Z53825177-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z53825177-Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F504 b:87.3 occ:0.77 F1 C:VVG504 0.0 87.3 0.8 C8 C:VVG504 1.4 77.7 0.8 O1 C:VVG504 2.2 92.8 0.8 H4 C:VVG504 2.2 95.0 0.8 C7 C:VVG504 2.3 73.2 0.8 C3 C:VVG504 2.4 82.7 0.8 H10 C:VVG504 2.5 88.3 0.8 S1 C:VVG504 2.7 94.6 0.8 C2 C:VVG504 2.8 78.8 0.8 N1 C:VVG504 2.8 76.8 0.8 CG2 C:THR253 2.9 77.0 1.0 H5 C:VVG504 3.0 95.0 0.8 C6 C:VVG504 3.6 86.5 0.8 C4 C:VVG504 3.6 79.7 0.8 H6 C:VVG504 3.7 92.6 0.8 NE2 C:GLN256 3.8 84.5 1.0 CA C:THR253 3.8 82.5 1.0 N C:THR253 3.9 83.4 1.0 CB C:THR253 4.0 81.2 1.0 O2 C:VVG504 4.1 89.3 0.8 C5 C:VVG504 4.1 82.4 0.8 C1 C:VVG504 4.2 80.3 0.8 C C:LEU252 4.3 82.6 1.0 H3 C:VVG504 4.3 96.8 0.8 H9 C:VVG504 4.3 104.3 0.8 CD2 C:LEU252 4.4 76.7 1.0 H7 C:VVG504 4.4 96.2 0.8 CG C:LEU252 4.4 73.6 1.0 CB C:LEU252 4.5 75.9 1.0 H1 C:VVG504 4.6 96.8 0.8 NE2 C:GLN133 4.6 97.2 1.0 O C:LEU252 4.6 77.8 1.0 CD C:GLN256 4.6 85.2 1.0 H2 C:VVG504 4.8 96.8 0.8 CD C:GLN133 4.9 93.9 1.0 OG C:SER165 5.0 82.9 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