Chlorine in PDB 6fii: Tubulin-Spongistatin Complex

The structure of Tubulin-Spongistatin Complex, PDB code: 6fii was solved by G.Menchon, A.E.Prota, D.Lucena Angell, P.Bucher, R.Mueller, I.Paterson, J.F.Diaz, K.-H.Altmann, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.17 / 2.41
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.670, 159.920, 181.010, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21.6

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

Magnesium	(Mg)	5 atoms
Calcium	(Ca)	3 atoms

The binding sites of Chlorine atom in the Tubulin-Spongistatin Complex (pdb code 6fii). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Tubulin-Spongistatin Complex, PDB code: 6fii:

Chlorine binding site 1 out of 1 in the Tubulin-Spongistatin Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Spongistatin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:0.8 occ:1.00 CL1 D:SG9502 0.0 0.8 1.0 C50 D:SG9502 1.8 0.7 1.0 H48 D:SG9502 2.7 0.1 1.0 C51 D:SG9502 2.7 0.4 1.0 C49 D:SG9502 2.8 99.1 1.0 H512 D:SG9502 2.9 0.5 1.0 C48 D:SG9502 3.1 86.7 1.0 CD D:PRO175 3.2 87.2 1.0 CG D:PRO175 3.3 78.3 1.0 N D:PRO175 3.5 85.0 1.0 H511 D:SG9502 3.7 0.5 1.0 H49 D:SG9502 3.7 0.9 1.0 OE1 D:GLN394 3.8 89.3 1.0 C D:SER174 3.9 85.9 1.0 CA D:SER174 4.1 82.1 1.0 N D:SER174 4.2 80.8 1.0 CD D:GLN394 4.2 91.7 1.0 CA D:PRO175 4.2 89.7 1.0 NE2 D:GLN394 4.2 96.0 1.0 CB D:PRO175 4.2 80.8 1.0 C D:PRO173 4.3 74.0 1.0 O D:PRO173 4.4 72.0 1.0 C47 D:SG9502 4.5 78.2 1.0 CB D:PRO173 4.5 66.4 1.0 H442 D:SG9502 4.5 0.4 1.0 CG D:PRO184 4.7 72.6 1.0 CD D:PRO184 4.7 81.3 1.0 O D:SER174 4.7 89.4 1.0 H462 D:SG9502 4.8 98.8 1.0 CB D:GLU183 4.8 75.5 1.0 C45 D:SG9502 4.9 92.0 1.0 C46 D:SG9502 5.0 82.3 1.0

G.Menchon, A.E.Prota, D.Lucena-Agell, P.Bucher, R.Jansen, H.Irschik, R.Muller, I.Paterson, J.F.Diaz, K.H.Altmann, M.O.Steinmetz. A Fluorescence Anisotropy Assay to Discover and Characterize Ligands Targeting the Maytansine Site of Tubulin. Nat Commun V. 9 2106 2018.
ISSN: ESSN 2041-1723
PubMed: 29844393
DOI: 10.1038/S41467-018-04535-8