Chlorine in PDB 4o2a: Tubulin-BAL27862 Complex

The structure of Tubulin-BAL27862 Complex, PDB code: 4o2a was solved by A.E.Prota, D.Franck, F.Bachmann, K.Bargsten, R.M.Buey, J.Pohlmann, S.Reinelt, H.Lane, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.36 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.530, 158.120, 179.730, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.2

The structure of Tubulin-BAL27862 Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Tubulin-BAL27862 Complex (pdb code 4o2a). 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-BAL27862 Complex, PDB code: 4o2a:

Chlorine binding site 1 out of 1 in the Tubulin-BAL27862 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-BAL27862 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:78.5 occ:1.00 N A:LYS163 3.3 62.4 1.0 CB A:LYS163 3.5 68.9 1.0 CD A:LYS164 3.5 57.8 1.0 N A:GLY162 3.6 46.9 1.0 C A:TYR161 3.6 47.0 1.0 CA A:TYR161 3.7 41.3 1.0 CG A:LYS163 3.7 74.4 1.0 CE A:LYS164 3.9 58.7 1.0 CA A:LYS163 3.9 64.9 1.0 O A:TYR161 4.2 48.6 1.0 N A:LYS164 4.3 58.4 1.0 C A:GLY162 4.3 56.2 1.0 CA A:GLY162 4.4 50.4 1.0 CB A:TYR161 4.5 39.9 1.0 O A:ASP160 4.5 61.9 1.0 NZ A:LYS164 4.6 60.2 1.0 C A:LYS163 4.6 63.1 1.0 N A:TYR161 4.8 45.9 1.0 CG A:LYS164 4.9 50.9 1.0

A.E.Prota, F.Danel, F.Bachmann, K.Bargsten, R.M.Buey, J.Pohlmann, S.Reinelt, H.Lane, M.O.Steinmetz. The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization. J.Mol.Biol. V. 426 1848 2014.
ISSN: ISSN 0022-2836
PubMed: 24530796
DOI: 10.1016/J.JMB.2014.02.005