Fluorine in PDB 5s4z: Tubulin-Z28290384-Complex

The structure of Tubulin-Z28290384-Complex, PDB code: 5s4z 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)	63.53 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.36, 159.26, 178.54, 90, 90, 90
R / Rfree (%)	20.5 / 24.2

The structure of Tubulin-Z28290384-Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Tubulin-Z28290384-Complex (pdb code 5s4z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Tubulin-Z28290384-Complex, PDB code: 5s4z:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Tubulin-Z28290384-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z28290384-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:68.2 occ:0.79 F18 B:WN1505 0.0 68.2 0.8 C17 B:WN1505 1.4 64.7 0.8 H12 B:WN1505 2.3 74.2 0.8 C12 B:WN1505 2.4 60.8 0.8 C16 B:WN1505 2.4 63.6 0.8 H11 B:WN1505 2.5 76.4 0.8 N11 B:WN1505 2.7 61.8 0.8 O B:HOH622 2.8 59.3 1.0 CB B:CYS241 2.9 79.4 1.0 O B:VAL238 3.3 56.5 1.0 SG B:CYS241 3.5 92.5 1.0 C15 B:WN1505 3.6 61.5 0.8 C13 B:WN1505 3.6 62.4 0.8 N B:CYS241 3.9 75.6 1.0 H8 B:WN1505 3.9 69.8 0.8 CA B:CYS241 3.9 80.5 1.0 C09 B:WN1505 4.0 60.2 0.8 CD1 B:LEU255 4.0 61.6 1.0 C14 B:WN1505 4.1 60.0 0.8 C B:VAL238 4.4 54.5 1.0 H2 B:WN1505 4.4 73.8 0.8 H1 B:WN1505 4.4 74.9 0.8 N B:LEU242 4.4 73.4 1.0 C B:CYS241 4.5 80.4 1.0 CD2 B:LEU242 4.5 75.6 1.0 CG B:LEU242 4.6 68.9 1.0 C06 B:WN1505 4.6 58.2 0.8 CG1 B:ILE318 4.7 64.8 1.0 C07 B:WN1505 4.8 57.0 0.8 CD2 B:LEU255 4.8 59.1 1.0 O10 B:WN1505 4.9 60.8 0.8

Fluorine binding site 2 out of 2 in the Tubulin-Z28290384-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Tubulin-Z28290384-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F506 b:48.8 occ:0.71 F18 B:WN1506 0.0 48.8 0.7 C17 B:WN1506 1.4 45.6 0.7 C12 B:WN1506 2.3 46.2 0.7 C16 B:WN1506 2.4 48.1 0.7 H12 B:WN1506 2.4 56.9 0.7 H11 B:WN1506 2.5 57.7 0.7 N11 B:WN1506 2.7 47.4 0.7 O B:HOH670 2.7 53.7 1.0 O B:HOH607 2.9 49.2 1.0 CA B:VAL181 3.1 39.1 1.0 O B:VAL181 3.5 38.1 1.0 CG C:PRO348 3.5 50.9 1.0 O B:THR180 3.6 40.5 1.0 C13 B:WN1506 3.6 49.3 0.7 C15 B:WN1506 3.6 39.4 0.7 C B:VAL181 3.7 37.7 1.0 CB B:VAL181 3.9 42.3 1.0 C09 B:WN1506 4.0 43.2 0.7 CB C:PRO348 4.0 47.7 1.0 N B:VAL181 4.1 35.8 1.0 C14 B:WN1506 4.1 43.3 0.7 CG1 B:VAL181 4.1 47.0 1.0 C B:THR180 4.2 42.1 1.0 OG B:SER178 4.2 51.9 1.0 CD B:PRO184 4.3 37.2 1.0 H1 B:WN1506 4.4 59.1 0.7 H2 B:WN1506 4.4 47.2 0.7 CD C:PRO348 4.5 49.4 1.0 O C:HOH800 4.5 49.0 1.0 H8 B:WN1506 4.6 55.0 0.7 O10 B:WN1506 4.7 48.9 0.7 CG B:PRO184 4.7 42.2 1.0 O C:HOH822 4.7 57.6 1.0 C07 B:WN1506 4.8 47.9 0.7 N B:VAL182 4.8 36.4 1.0 CB B:SER178 5.0 46.8 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