Chlorine in PDB 8b7c: Tubulin-Maytansinoid-12 Complex

The structure of Tubulin-Maytansinoid-12 Complex, PDB code: 8b7c 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)	49.57 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.866, 157.939, 180.57, 90, 90, 90
R / Rfree (%)	18.3 / 21.2

The structure of Tubulin-Maytansinoid-12 Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Tubulin-Maytansinoid-12 Complex (pdb code 8b7c). 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-12 Complex, PDB code: 8b7c:

Chlorine binding site 1 out of 1 in the Tubulin-Maytansinoid-12 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-12 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:69.6 occ:1.00 CL33 D:PWC503 0.0 69.6 1.0 C6 D:PWC503 1.9 77.4 1.0 C5 D:PWC503 2.9 73.4 1.0 C1 D:PWC503 2.9 78.2 1.0 N31 D:PWC503 3.1 71.5 1.0 O34 D:PWC503 3.2 78.8 1.0 C36 D:PWC503 3.6 82.2 1.0 CZ D:PHE404 3.6 92.4 1.0 C28 D:PWC503 3.7 69.8 1.0 C35 D:PWC503 3.7 56.9 1.0 CE2 D:PHE404 4.0 85.8 1.0 C27 D:PWC503 4.1 55.8 1.0 CG1 D:VAL181 4.1 80.6 1.0 C4 D:PWC503 4.3 75.8 1.0 C2 D:PWC503 4.3 76.3 1.0 O32 D:PWC503 4.4 73.0 1.0 CE1 D:PHE404 4.6 92.0 1.0 CB D:VAL181 4.7 73.1 1.0 C3 D:PWC503 4.8 74.8 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