Chlorine in PDB 6fjf: Tubulin-Fcmaytansine Complex

The structure of Tubulin-Fcmaytansine Complex, PDB code: 6fjf was solved by G.Menchon, A.E.Prota, D.Lucena Angell, P.Bucher, R.Mueller, I.Paterson, J.F.Diaz, K.-H.Altmann, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.55 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.373, 156.739, 180.956, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.8

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

Magnesium	(Mg)	5 atoms
Calcium	(Ca)	2 atoms

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

Chlorine binding site 1 out of 1 in the Tubulin-Fcmaytansine Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Fcmaytansine Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:94.9 occ:1.00 CL27 D:DKE503 0.0 94.9 1.0 C22 D:DKE503 1.8 94.7 1.0 C23 D:DKE503 2.7 92.4 1.0 C21 D:DKE503 2.8 93.3 1.0 O25 D:DKE503 2.9 100.0 1.0 N30 D:DKE503 3.1 87.9 1.0 C65 D:DKE503 3.3 0.3 1.0 C32 D:DKE503 3.6 81.0 1.0 C74 D:DKE503 3.6 0.6 1.0 C64 D:DKE503 3.6 0.9 1.0 C66 D:DKE503 3.7 0.9 1.0 CZ D:PHE404 3.7 85.9 1.0 C31 D:DKE503 3.9 84.3 1.0 C26 D:DKE503 4.0 0.4 1.0 C54 D:DKE503 4.0 0.7 1.0 C24 D:DKE503 4.0 82.2 1.0 C20 D:DKE503 4.1 89.1 1.0 C63 D:DKE503 4.1 0.9 1.0 C75 D:DKE503 4.1 0.3 1.0 C69 D:DKE503 4.2 0.3 1.0 O67 D:DKE503 4.2 0.9 1.0 C77 D:DKE503 4.2 0.7 1.0 C62 D:DKE503 4.2 1.0 1.0 CG2 D:VAL181 4.2 68.6 1.0 CG1 D:VAL181 4.2 69.1 1.0 C33 D:DKE503 4.3 72.9 1.0 CE1 D:PHE404 4.3 83.9 1.0 C76 D:DKE503 4.4 0.1 1.0 C68 D:DKE503 4.4 0.8 1.0 C53 D:DKE503 4.5 0.7 1.0 C19 D:DKE503 4.6 78.1 1.0 CE2 D:PHE404 4.6 85.5 1.0 O34 D:DKE503 4.7 88.6 1.0 CB D:VAL181 4.9 67.3 1.0

G.Menchon, A.E.Prota, D.Lucena-Agell, P.Bucher, R.Jansen, H.Irschik, R.Muller, I.Paterson, J.F.Diaz, K.H.Altmann, M.O.Steinmetz. A Fluorescence Anisotropy Assay to Discover and Characterize Ligands Targeting the Maytansine Site of Tubulin. Nat Commun V. 9 2106 2018.
ISSN: ESSN 2041-1723
PubMed: 29844393
DOI: 10.1038/S41467-018-04535-8