Chlorine in PDB 8b7a: Tubulin - Maytansinoid - 4 Complex

The structure of Tubulin - Maytansinoid - 4 Complex, PDB code: 8b7a 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, F.J.Diaz, M.O.Steinmetz, A.E.Prota, S.Piaraccini, D.Passarella, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.15 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.271, 158.55, 181.846, 90, 90, 90
R / Rfree (%)	18.1 / 22.3

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

Calcium	(Ca)	5 atoms
Magnesium	(Mg)	6 atoms

The binding sites of Chlorine atom in the Tubulin - Maytansinoid - 4 Complex (pdb code 8b7a). 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 - 4 Complex, PDB code: 8b7a:

Chlorine binding site 1 out of 1 in the Tubulin - Maytansinoid - 4 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 - 4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:127.9 occ:1.00 CL33 D:Q0F503 0.0 127.9 1.0 C6 D:Q0F503 1.8 117.8 1.0 C1 D:Q0F503 2.7 108.7 1.0 C5 D:Q0F503 2.8 107.4 1.0 O34 D:Q0F503 2.9 109.2 1.0 N31 D:Q0F503 3.2 102.9 1.0 C36 D:Q0F503 3.5 108.9 1.0 C35 D:Q0F503 3.7 100.3 1.0 CZ D:PHE404 3.7 115.2 1.0 C28 D:Q0F503 3.9 94.1 1.0 C2 D:Q0F503 4.0 99.2 1.0 C4 D:Q0F503 4.1 98.2 1.0 CE2 D:PHE404 4.1 111.1 1.0 C27 D:Q0F503 4.2 75.2 1.0 CG1 D:VAL181 4.3 102.0 1.0 C3 D:Q0F503 4.6 90.0 1.0 O32 D:Q0F503 4.7 103.2 1.0 CE1 D:PHE404 4.8 116.3 1.0 CB D:VAL181 4.8 99.2 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