Chlorine in PDB 8b7b: Tubulin - Maytansinoid - 6 Complex

The structure of Tubulin - Maytansinoid - 6 Complex, PDB code: 8b7b was solved by Z.Boiarska, H.Perez-Pena, A.-C.Abel, P.Marzullo, B.Alvarez-Bernad, F.Bonato, B.Santini, D.Horvath, D.Lucena-Agell, F.Vasile, M.Sironi, J.F.Diaz, M.O.Steinmetz, A.E.Prota, S.Pieraccini, D.Passarella, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.83 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.085, 155.637, 181.924, 90, 90, 90
R / Rfree (%)	18.4 / 22.4

The structure of Tubulin - Maytansinoid - 6 Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Tubulin - Maytansinoid - 6 Complex (pdb code 8b7b). 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 - 6 Complex, PDB code: 8b7b:

Chlorine binding site 1 out of 1 in the Tubulin - Maytansinoid - 6 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 - 6 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:114.3 occ:1.00 CL1 D:PX0503 0.0 114.3 1.0 C7 D:PX0503 1.7 104.6 1.0 C2 D:PX0503 2.7 104.5 1.0 C6 D:PX0503 2.7 102.9 1.0 O1 D:PX0503 2.9 114.4 1.0 N1 D:PX0503 3.0 106.1 1.0 C8 D:PX0503 3.4 87.5 1.0 CZ D:PHE404 3.5 109.7 1.0 C9 D:PX0503 3.8 101.2 1.0 C3 D:PX0503 4.0 96.7 1.0 C5 D:PX0503 4.0 106.5 1.0 C10 D:PX0503 4.2 88.7 1.0 CE2 D:PHE404 4.2 101.9 1.0 CG1 D:VAL181 4.2 105.8 1.0 C1 D:PX0503 4.3 105.3 1.0 CE1 D:PHE404 4.5 103.6 1.0 C4 D:PX0503 4.5 94.4 1.0 O2 D:PX0503 4.5 104.0 1.0 CB D:VAL181 5.0 104.8 1.0

Z.Boiarska, H.Perez-Pena, A.C.Abel, P.Marzullo, B.Alvarez-Bernad, F.Bonato, B.Santini, D.Horvath, D.Lucena-Agell, F.Vasile, M.Sironi, J.F.Diaz, A.E.Prota, S.Pieraccini, D.Passarella. Maytansinol Functionalization: Towards Useful Probes For Studying Microtubule Dynamics. Chemistry V. 29 03431 2023.
ISSN: ISSN 0947-6539
PubMed: 36468686
DOI: 10.1002/CHEM.202203431