Chlorine in PDB 5sba: Tubulin-Maytansinoid-4B-Complex

The structure of Tubulin-Maytansinoid-4B-Complex, PDB code: 5sba was solved by P.Marzullo, Z.Boiarska, H.Perez-Pena, A.-C.Abel, B.Alvarez-Bernad, D.Lucena-Agell, F.Vasile, M.Sironi, M.O.Steinmetz, A.E.Prota, J.F.Diaz, S.Pieraccini, D.Passarella, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.49 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.174, 156.45, 180.827, 90, 90, 90
R / Rfree (%)	18.4 / 22.7

The structure of Tubulin-Maytansinoid-4B-Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Tubulin-Maytansinoid-4B-Complex (pdb code 5sba). 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-Maytansinoid-4B-Complex, PDB code: 5sba:

Chlorine binding site 1 out of 1 in the Tubulin-Maytansinoid-4B-Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Maytansinoid-4B-Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:107.5 occ:1.00 CL33 D:5IJ503 0.0 107.5 1.0 C6 D:5IJ503 1.8 92.1 1.0 C1 D:5IJ503 2.7 86.1 1.0 C5 D:5IJ503 2.8 89.8 1.0 O34 D:5IJ503 2.9 77.1 1.0 N31 D:5IJ503 3.2 85.5 1.0 C36 D:5IJ503 3.5 85.5 1.0 CZ D:PHE404 3.6 76.7 1.0 C35 D:5IJ503 3.6 68.1 1.0 C28 D:5IJ503 3.9 79.8 1.0 CG2 D:VAL181 3.9 78.8 1.0 C2 D:5IJ503 4.0 78.0 1.0 C4 D:5IJ503 4.1 82.9 1.0 CE2 D:PHE404 4.1 82.2 1.0 C27 D:5IJ503 4.2 69.9 1.0 CG1 D:VAL181 4.4 76.8 1.0 CE1 D:PHE404 4.6 81.7 1.0 C3 D:5IJ503 4.6 80.5 1.0 O32 D:5IJ503 4.7 84.4 1.0 CB D:VAL181 4.8 78.6 1.0

P.Marzullo, Z.Boiarska, H.Perez-Pena, A.C.Abel, B.Alvarez-Bernad, D.Lucena-Agell, F.Vasile, M.Sironi, K.H.Altmann, A.E.Prota, J.F.Diaz, S.Pieraccini, D.Passarella. Maytansinol Derivatives: Side Reactions As A Chance For New Tubulin Binders. Chemistry 2021.
ISSN: ISSN 0947-6539
PubMed: 34788896
DOI: 10.1002/CHEM.202103520