Chlorine in PDB 4i50: Crystal Structure of Tubulin-Stathmin-Ttl-Epothilone A Complex

The structure of Crystal Structure of Tubulin-Stathmin-Ttl-Epothilone A Complex, PDB code: 4i50 was solved by A.E.Prota, K.Bargsten, D.Zurwerra, J.J.Field, 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)	77.57 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.620, 155.130, 180.410, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 24.6

The structure of Crystal Structure of Tubulin-Stathmin-Ttl-Epothilone A Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Crystal Structure of Tubulin-Stathmin-Ttl-Epothilone A Complex (pdb code 4i50). 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 Crystal Structure of Tubulin-Stathmin-Ttl-Epothilone A Complex, PDB code: 4i50:

Chlorine binding site 1 out of 1 in the Crystal Structure of Tubulin-Stathmin-Ttl-Epothilone A Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Tubulin-Stathmin-Ttl-Epothilone A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:74.0 occ:1.00 H A:LYS163 2.4 86.8 1.0 HB2 A:LYS163 2.6 0.3 1.0 HD3 A:LYS164 2.8 0.8 1.0 HA A:TYR161 2.9 79.9 1.0 N A:LYS163 3.3 72.3 1.0 CB A:LYS163 3.4 86.9 1.0 HZ3 A:LYS164 3.4 0.3 1.0 HG3 A:LYS163 3.6 1.0 1.0 CD A:LYS164 3.6 91.5 1.0 C A:TYR161 3.6 53.5 1.0 CA A:TYR161 3.7 66.6 1.0 H A:GLY162 3.7 63.9 1.0 N A:GLY162 3.8 53.2 1.0 CA A:LYS163 3.8 87.9 1.0 HD2 A:LYS163 3.8 0.2 1.0 HD2 A:LYS164 3.8 0.8 1.0 HB3 A:TYR161 3.9 66.0 1.0 CG A:LYS163 3.9 100.0 1.0 HE2 A:LYS164 4.0 0.2 1.0 O A:TYR161 4.1 68.2 1.0 H A:LYS164 4.1 84.0 1.0 NZ A:LYS164 4.1 0.3 1.0 HB3 A:LYS163 4.1 0.3 1.0 CE A:LYS164 4.2 95.1 1.0 C A:LYS163 4.2 78.2 1.0 N A:LYS164 4.3 70.0 1.0 CB A:TYR161 4.3 55.0 1.0 C A:GLY162 4.3 60.9 1.0 CD A:LYS163 4.4 0.8 1.0 HB2 A:LYS164 4.4 75.6 1.0 HD2 A:TYR161 4.4 49.2 1.0 HZ2 A:LYS164 4.5 0.3 1.0 CA A:GLY162 4.6 52.2 1.0 HA A:LYS163 4.7 0.5 1.0 O A:ASP160 4.7 59.4 1.0 HZ1 A:LYS164 4.8 0.3 1.0 CG A:LYS164 4.8 74.3 1.0 HG2 A:LYS163 4.8 1.0 1.0 N A:TYR161 4.9 68.8 1.0 HA3 A:GLY162 4.9 62.7 1.0 HD3 A:LYS163 4.9 0.2 1.0 CB A:LYS164 5.0 63.0 1.0 O A:LYS163 5.0 74.4 1.0 HG2 A:LYS164 5.0 89.2 1.0

A.E.Prota, K.Bargsten, D.Zurwerra, J.J.Field, J.F.Diaz, K.H.Altmann, M.O.Steinmetz. Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents. Science V. 339 587 2013.
ISSN: ISSN 0036-8075
PubMed: 23287720
DOI: 10.1126/SCIENCE.1230582