Fluorine in PDB 5zxh: The Structure of MT189-Tubulin Complex

The structure of The Structure of MT189-Tubulin Complex, PDB code: 5zxh was solved by Z.P.Li, Y.X.Wang, T.Meng, J.L.Yang, Q.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.910, 157.060, 182.838, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.9

The structure of The Structure of MT189-Tubulin Complex also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Calcium	(Ca)	3 atoms

The binding sites of Fluorine atom in the The Structure of MT189-Tubulin Complex (pdb code 5zxh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Structure of MT189-Tubulin Complex, PDB code: 5zxh:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Structure of MT189-Tubulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of MT189-Tubulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F506 b:28.4 occ:1.00 F23 B:9LX506 0.0 28.4 1.0 C22 B:9LX506 1.4 30.5 1.0 C24 B:9LX506 2.4 30.9 1.0 C21 B:9LX506 2.4 29.7 1.0 CG B:LYS350 3.3 33.6 1.0 CB B:LYS350 3.5 30.8 1.0 OG1 A:THR179 3.5 36.9 1.0 N25 B:9LX506 3.6 30.4 1.0 C20 B:9LX506 3.7 29.4 1.0 CD2 B:LEU246 3.8 58.5 1.0 CA A:THR179 4.0 34.8 1.0 C19 B:9LX506 4.2 30.7 1.0 O B:THR351 4.3 27.1 1.0 CD1 B:LEU246 4.3 58.8 1.0 CB A:THR179 4.4 37.3 1.0 CG B:LEU246 4.4 57.4 1.0 N B:THR351 4.4 28.7 1.0 CA B:LYS350 4.4 28.7 1.0 C B:LYS350 4.4 29.0 1.0 C26 B:9LX506 4.4 30.2 1.0 O A:THR179 4.4 29.3 1.0 C A:THR179 4.5 34.1 1.0 C27 B:9LX506 4.6 31.0 1.0 O A:SER178 4.6 31.7 1.0 CD B:LYS350 4.7 35.8 1.0 C B:THR351 4.8 26.9 1.0 C09 B:9LX506 4.8 30.1 1.0 C06 B:9LX506 4.9 29.6 1.0 O B:LYS350 4.9 30.1 1.0

Fluorine binding site 2 out of 2 in the The Structure of MT189-Tubulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Structure of MT189-Tubulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F503 b:52.4 occ:1.00 F23 D:9LX503 0.0 52.4 1.0 C22 D:9LX503 1.4 52.7 1.0 C24 D:9LX503 2.4 54.2 1.0 C21 D:9LX503 2.4 52.0 1.0 CB D:LYS350 3.4 33.6 1.0 N25 D:9LX503 3.6 55.5 1.0 C20 D:9LX503 3.7 52.7 1.0 CG D:LYS350 3.9 33.9 1.0 O C:SER178 4.1 37.6 1.0 C19 D:9LX503 4.1 56.7 1.0 CA C:THR179 4.1 33.8 1.0 O C:THR179 4.2 28.3 1.0 CD D:LYS350 4.3 33.6 1.0 N D:THR351 4.4 33.6 1.0 C C:THR179 4.4 29.1 1.0 CD2 D:LEU246 4.4 73.5 1.0 CD1 D:LEU246 4.5 74.6 1.0 C26 D:9LX503 4.6 40.6 1.0 C27 D:9LX503 4.6 42.1 1.0 CA D:LYS350 4.6 32.5 1.0 O D:THR351 4.6 33.2 1.0 C D:LYS350 4.8 33.1 1.0 C09 D:9LX503 4.8 53.4 1.0 C D:THR351 4.9 32.7 1.0 C C:SER178 4.9 35.2 1.0 N C:THR179 5.0 35.9 1.0

Z.P.Li, L.L.Ma, C.Y.Wu, T.Meng, L.P.Ma, W.Zheng, Y.Yu, Q.Chen, J.L.Yang, J.G.Shen. The Structure of MT189-Tubulin Complex Provides Insights Into Drug Design Lett.Drug Des.Discovery 2019.
ISSN: ISSN 1570-1808
DOI: 10.2174/1570180816666181122122655