Fluorine in PDB 5s5z: Tubulin-Z2856434944-Complex

The structure of Tubulin-Z2856434944-Complex, PDB code: 5s5z 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)	91.08 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.18, 158.03, 182.1, 90, 90, 90
R / Rfree (%)	20.9 / 25.3

The structure of Tubulin-Z2856434944-Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Tubulin-Z2856434944-Complex (pdb code 5s5z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Tubulin-Z2856434944-Complex, PDB code: 5s5z:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Tubulin-Z2856434944-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tubulin-Z2856434944-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:54.7 occ:0.85 F1 B:AWD505 0.0 54.7 0.8 C10 B:AWD505 1.4 64.2 0.8 C9 B:AWD505 2.3 58.3 0.8 C11 B:AWD505 2.3 59.9 0.8 H15 B:AWD505 2.5 69.9 0.8 H16 B:AWD505 2.5 71.9 0.8 CG1 B:VAL181 2.9 61.4 1.0 O B:ASP179 3.6 59.4 1.0 C8 B:AWD505 3.6 56.4 0.8 CG C:PRO348 3.6 56.0 1.0 C12 B:AWD505 3.6 62.0 0.8 ND2 C:ASN258 3.7 54.3 1.0 CB C:PRO348 3.7 58.8 1.0 CB B:VAL181 4.0 47.7 1.0 N B:VAL181 4.0 49.0 1.0 CA B:VAL181 4.0 50.6 1.0 C B:ASP179 4.0 57.8 1.0 C7 B:AWD505 4.1 60.4 0.8 CD C:PRO348 4.3 59.4 1.0 H7 B:AWD505 4.4 67.7 0.8 H17 B:AWD505 4.4 74.5 0.8 C B:THR180 4.4 54.8 1.0 H3 B:AWD507 4.5 65.1 0.8 N B:THR180 4.6 59.5 1.0 CG C:ASN258 4.6 53.9 1.0 CA B:ASP179 4.6 57.9 1.0 O C:GLY350 4.8 65.9 1.0 CA B:THR180 4.8 57.1 1.0 CA C:PRO348 4.9 55.1 1.0 O B:THR180 4.9 59.7 1.0 H5 B:AWD507 5.0 70.5 0.8

Fluorine binding site 2 out of 3 in the Tubulin-Z2856434944-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Tubulin-Z2856434944-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F506 b:73.9 occ:1.00 F1 B:AWD506 0.0 73.9 1.0 C10 B:AWD506 1.4 67.1 1.0 C9 B:AWD506 2.3 59.8 1.0 C11 B:AWD506 2.3 66.4 1.0 H15 B:AWD506 2.5 71.8 1.0 H16 B:AWD506 2.5 79.7 1.0 CD1 B:LEU227 3.0 62.0 1.0 CB B:PRO222 3.1 69.6 1.0 O B:PRO222 3.3 74.2 1.0 CD2 B:TYR210 3.4 63.3 1.0 C B:PRO222 3.5 71.1 1.0 CD2 B:LEU227 3.6 57.5 1.0 C8 B:AWD506 3.6 64.8 1.0 C12 B:AWD506 3.6 63.6 1.0 CE2 B:TYR210 3.9 66.2 1.0 CG B:LEU227 3.9 63.4 1.0 CA B:PRO222 3.9 64.8 1.0 N B:THR223 4.1 71.5 1.0 C7 B:AWD506 4.1 65.9 1.0 CG B:PRO222 4.1 69.9 1.0 CG2 B:VAL177 4.2 57.9 1.0 O B:THR223 4.3 73.5 1.0 H7 B:AWD506 4.4 77.8 1.0 H17 B:AWD506 4.4 76.4 1.0 C B:THR223 4.4 70.1 1.0 CA B:THR223 4.5 70.8 1.0 CG B:TYR210 4.5 61.9 1.0 CG1 B:VAL177 4.6 58.0 1.0 CD B:PRO222 4.7 66.4 1.0 N B:PRO222 4.7 68.1 1.0 CB B:TYR210 4.8 56.4 1.0 CB B:VAL177 4.9 55.2 1.0 CA B:TYR210 5.0 66.7 1.0

Fluorine binding site 3 out of 3 in the Tubulin-Z2856434944-Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Tubulin-Z2856434944-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F507 b:61.0 occ:0.77 F1 B:AWD507 0.0 61.0 0.8 C10 B:AWD507 1.4 64.0 0.8 C11 B:AWD507 2.3 63.8 0.8 C9 B:AWD507 2.3 56.7 0.8 H16 B:AWD507 2.5 76.5 0.8 H15 B:AWD507 2.5 68.0 0.8 O C:ASP345 3.3 64.4 1.0 C12 B:AWD507 3.6 59.4 0.8 C8 B:AWD507 3.6 55.5 0.8 O C:CYS347 3.7 57.4 1.0 CB B:ALA397 3.9 60.8 1.0 C7 B:AWD507 4.1 58.8 0.8 C C:CYS347 4.1 55.8 1.0 C C:TRP346 4.2 57.8 1.0 N C:CYS347 4.2 55.0 1.0 C C:ASP345 4.2 59.3 1.0 H17 B:AWD507 4.4 71.3 0.8 H7 B:AWD507 4.4 66.6 0.8 CA C:TRP346 4.4 59.7 1.0 O C:TRP346 4.6 63.1 1.0 N C:TRP346 4.7 59.7 1.0 N C:PRO348 4.7 59.6 1.0 CA C:CYS347 4.7 56.2 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