Chlorine in PDB 5sbc: Tubulin-Maytansinoid-5A-Complex

The structure of Tubulin-Maytansinoid-5A-Complex, PDB code: 5sbc 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)	48.02 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.911, 157.908, 181.461, 90, 90, 90
R / Rfree (%)	18.6 / 22.8

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

Magnesium	(Mg)	5 atoms
Calcium	(Ca)	4 atoms

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

Chlorine binding site 1 out of 1 in the Tubulin-Maytansinoid-5A-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-5A-Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:112.9 occ:1.00 CL33 D:5JS503 0.0 112.9 1.0 C6 D:5JS503 1.8 105.0 1.0 C1 D:5JS503 2.7 105.4 1.0 C5 D:5JS503 2.8 105.4 1.0 O34 D:5JS503 2.9 100.2 1.0 N31 D:5JS503 3.2 109.8 1.0 C36 D:5JS503 3.4 94.9 1.0 CZ D:PHE404 3.8 107.9 1.0 C35 D:5JS503 3.8 92.8 1.0 C28 D:5JS503 3.8 103.6 1.0 C27 D:5JS503 4.0 85.6 1.0 C2 D:5JS503 4.0 93.1 1.0 C4 D:5JS503 4.1 102.0 1.0 CG2 D:VAL181 4.3 92.4 1.0 CE1 D:PHE404 4.4 116.9 1.0 C3 D:5JS503 4.6 98.5 1.0 O32 D:5JS503 4.6 96.8 1.0 CE2 D:PHE404 4.7 110.1 1.0 CG1 D:VAL181 4.7 86.4 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