Chlorine in PDB 5sbe: Tubulin-Maytansinoid-5C-Complex

The structure of Tubulin-Maytansinoid-5C-Complex, PDB code: 5sbe 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)	48.06 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.118, 158.404, 181.377, 90, 90, 90
R / Rfree (%)	19.2 / 23

The structure of Tubulin-Maytansinoid-5C-Complex also contains other interesting chemical elements:

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

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

Chlorine binding site 1 out of 1 in the Tubulin-Maytansinoid-5C-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-5C-Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:106.9 occ:0.80 CL33 D:5L5503 0.0 106.9 0.8 C6 D:5L5503 1.9 97.9 0.8 C1 D:5L5503 2.8 93.0 0.8 C5 D:5L5503 2.9 99.7 0.8 N31 D:5L5503 3.0 100.1 0.8 O34 D:5L5503 3.0 91.3 0.8 C28 D:5L5503 3.4 95.9 0.8 C35 D:5L5503 3.5 84.2 0.8 C36 D:5L5503 3.6 91.9 0.8 C27 D:5L5503 3.8 87.2 0.8 CG1 D:VAL181 4.0 104.8 1.0 O32 D:5L5503 4.1 99.6 0.8 C2 D:5L5503 4.2 92.4 0.8 C4 D:5L5503 4.2 94.9 0.8 CZ D:PHE404 4.2 113.1 1.0 CB D:VAL181 4.3 97.5 1.0 C3 D:5L5503 4.7 93.8 0.8 CE2 D:PHE404 4.9 113.8 1.0 CE1 D:PHE404 5.0 113.0 1.0 CG2 D:VAL181 5.0 98.1 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