Chlorine in PDB 8jjc: Tubulin-Y62

The structure of Tubulin-Y62, PDB code: 8jjc was solved by J.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.74 / 2.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.493, 157.005, 180.398, 90, 90, 90
R / Rfree (%)	23.5 / 26.4

The structure of Tubulin-Y62 also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Tubulin-Y62 (pdb code 8jjc). 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-Y62, PDB code: 8jjc:

Chlorine binding site 1 out of 1 in the Tubulin-Y62


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tubulin-Y62 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl504 b:66.4 occ:0.00 HH12 D:ARG251 2.5 75.4 1.0 HH11 D:ARG251 2.8 75.4 1.0 NH1 D:ARG251 2.9 62.8 1.0 HD11 D:ILE163 3.2 71.9 1.0 HD13 D:ILE163 3.5 71.9 1.0 HA D:ASP161 3.8 88.7 1.0 CD1 D:ILE163 3.8 59.9 1.0 HZ3 C:TRP407 3.9 66.9 1.0 O D:ASP161 4.0 70.5 1.0 C D:ASP161 4.0 70.0 1.0 CZ D:ARG251 4.2 68.0 1.0 HG12 D:ILE163 4.2 76.2 1.0 N D:ARG162 4.3 64.6 1.0 O D:ARG162 4.3 69.5 1.0 C D:ARG162 4.3 68.2 1.0 HD3 D:ARG251 4.4 74.1 1.0 HA D:ILE163 4.4 75.5 1.0 CA D:ASP161 4.4 73.9 1.0 HA D:ARG162 4.5 83.7 1.0 HH22 D:ARG251 4.5 85.2 1.0 HD12 D:ILE163 4.6 71.9 1.0 CG1 D:ILE163 4.6 63.5 1.0 H D:ARG162 4.6 77.6 1.0 CA D:ARG162 4.6 69.7 1.0 O D:PRO160 4.7 71.4 1.0 CZ3 C:TRP407 4.8 55.7 1.0 N D:ILE163 4.8 66.0 1.0 HB2 D:ARG251 4.8 79.2 1.0 NH2 D:ARG251 4.8 71.0 1.0

C.Zhang, W.Yan, Y.Liu, M.Tang, Y.Teng, F.Wang, X.Hu, M.Zhao, J.Yang, Y.Li. Structure-Based Design and Synthesis of BML284 Derivatives: A Novel Class of Colchicine-Site Noncovalent Tubulin Degradation Agents. Eur.J.Med.Chem. V. 268 16265 2024.
ISSN: ISSN 0223-5234
PubMed: 38430854
DOI: 10.1016/J.EJMECH.2024.116265