Fluorine in PDB 7vmk: Crystal Structure of Tubulin with 3

The structure of Crystal Structure of Tubulin with 3, PDB code: 7vmk was solved by Z.Jifa, T.Lun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.73 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.831, 157.513, 182.187, 90, 90, 90
R / Rfree (%)	19.4 / 23.2

The structure of Crystal Structure of Tubulin with 3 also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Crystal Structure of Tubulin with 3 (pdb code 7vmk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Tubulin with 3, PDB code: 7vmk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Tubulin with 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Tubulin with 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:F508 b:45.5 occ:1.00 F22 B:7PL508 0.0 45.5 1.0 C21 B:7PL508 1.4 41.5 1.0 F24 B:7PL508 2.2 40.7 1.0 F23 B:7PL508 2.2 43.1 1.0 C19 B:7PL508 2.4 33.9 1.0 C20 B:7PL508 2.8 33.3 1.0 CB B:ALA352 3.1 32.2 1.0 C B:THR351 3.4 34.4 1.0 O B:THR351 3.4 40.9 1.0 N B:ALA352 3.5 32.8 1.0 C18 B:7PL508 3.5 35.0 1.0 CA B:ALA352 3.8 36.4 1.0 N B:THR351 4.0 31.2 1.0 CA B:THR351 4.0 35.6 1.0 CD2 B:LEU246 4.1 62.5 1.0 C15 B:7PL508 4.2 33.5 1.0 C B:LYS350 4.2 34.2 1.0 O B:LYS350 4.4 40.2 1.0 CB B:LYS350 4.4 32.8 1.0 O B:ALA315 4.5 36.8 1.0 CG2 A:THR179 4.5 54.4 1.0 C17 B:7PL508 4.7 31.4 1.0 C04 B:7PL508 4.9 35.8 1.0 C16 B:7PL508 4.9 34.7 1.0 C03 B:7PL508 4.9 35.7 1.0 CG1 B:ILE316 5.0 41.0 1.0 CD1 B:LEU246 5.0 68.4 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Tubulin with 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Tubulin with 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:F508 b:43.1 occ:1.00 F23 B:7PL508 0.0 43.1 1.0 C21 B:7PL508 1.4 41.5 1.0 F22 B:7PL508 2.2 45.5 1.0 F24 B:7PL508 2.3 40.7 1.0 C19 B:7PL508 2.4 33.9 1.0 C18 B:7PL508 2.7 35.0 1.0 O B:LYS350 2.8 40.2 1.0 CA B:ALA314 3.2 32.6 1.0 CB B:ALA314 3.2 28.2 1.0 C B:LYS350 3.3 34.2 1.0 N B:ALA315 3.3 42.5 1.0 C B:ALA314 3.6 37.2 1.0 C20 B:7PL508 3.7 33.3 1.0 N B:THR351 3.7 31.2 1.0 CA B:THR351 3.8 35.6 1.0 O B:ALA315 3.8 36.8 1.0 CB B:LYS350 3.8 32.8 1.0 C B:THR351 4.0 34.4 1.0 C17 B:7PL508 4.1 31.4 1.0 CA B:LYS350 4.1 32.0 1.0 N B:ALA352 4.3 32.8 1.0 C B:ALA315 4.3 38.4 1.0 CA B:ALA315 4.4 29.5 1.0 N B:ALA314 4.5 25.1 1.0 O B:VAL313 4.5 35.4 1.0 O B:THR351 4.5 40.9 1.0 CB B:ALA352 4.7 32.2 1.0 C15 B:7PL508 4.8 33.5 1.0 CG1 B:ILE316 4.8 41.0 1.0 O B:ALA314 4.8 40.2 1.0 N B:LYS350 4.8 29.0 1.0 CD1 B:ILE316 4.8 44.5 1.0 C16 B:7PL508 4.9 34.7 1.0 C B:VAL313 4.9 31.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Tubulin with 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Tubulin with 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:F508 b:40.7 occ:1.00 F24 B:7PL508 0.0 40.7 1.0 C21 B:7PL508 1.4 41.5 1.0 F22 B:7PL508 2.2 45.5 1.0 F23 B:7PL508 2.3 43.1 1.0 C19 B:7PL508 2.4 33.9 1.0 C20 B:7PL508 3.1 33.3 1.0 C03 B:7PL508 3.1 35.7 1.0 C18 B:7PL508 3.3 35.0 1.0 C04 B:7PL508 3.5 35.8 1.0 CB B:ALA314 3.7 28.2 1.0 CD1 B:ILE316 3.7 44.5 1.0 CG1 B:ILE316 3.7 41.0 1.0 CB B:ALA352 4.1 32.2 1.0 C02 B:7PL508 4.2 28.6 1.0 C15 B:7PL508 4.3 33.5 1.0 CD1 B:LEU253 4.5 29.6 1.0 CA B:ALA314 4.5 32.6 1.0 C17 B:7PL508 4.5 31.4 1.0 CD2 B:LEU246 4.6 62.5 1.0 O B:ALA315 4.7 36.8 1.0 N B:ALA315 4.8 42.5 1.0 C05 B:7PL508 4.8 35.0 1.0 C B:ALA314 4.9 37.2 1.0 N B:ALA352 4.9 32.8 1.0 C13 B:7PL508 4.9 30.9 1.0 C16 B:7PL508 4.9 34.7 1.0

Z.Jifa, T.Lun. Crystal Structure of Tubulin with 3 To Be Published.