Chlorine in PDB 8jjb: Crystal Structure of T2R-Ttl-Y61 Complex

The structure of Crystal Structure of T2R-Ttl-Y61 Complex, PDB code: 8jjb was solved by J.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.06 / 2.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.287, 157.915, 181.748, 90, 90, 90
R / Rfree (%)	22.7 / 26

The structure of Crystal Structure of T2R-Ttl-Y61 Complex also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Crystal Structure of T2R-Ttl-Y61 Complex (pdb code 8jjb). 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 T2R-Ttl-Y61 Complex, PDB code: 8jjb:

Chlorine binding site 1 out of 1 in the Crystal Structure of T2R-Ttl-Y61 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 T2R-Ttl-Y61 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl505 b:61.2 occ:0.00 HE D:ARG251 2.9 67.1 1.0 HH21 D:ARG251 3.4 87.3 1.0 HD11 D:ILE163 3.5 63.4 1.0 NE D:ARG251 3.7 55.8 1.0 HD13 D:ILE163 3.8 63.4 1.0 HA D:ASP161 3.8 85.1 1.0 HZ3 C:TRP407 3.8 49.3 1.0 CD1 D:ILE163 4.1 52.8 1.0 NH2 D:ARG251 4.1 72.7 1.0 C D:ASP161 4.3 54.7 1.0 HG12 D:ILE163 4.3 72.7 1.0 O D:ASP161 4.4 58.7 1.0 CZ D:ARG251 4.4 67.8 1.0 HG3 D:ARG251 4.4 64.3 1.0 CA D:ASP161 4.5 70.9 1.0 HD3 D:ARG251 4.5 49.9 1.0 CD D:ARG251 4.7 41.5 1.0 N D:ARG162 4.7 58.0 1.0 CZ3 C:TRP407 4.7 41.0 1.0 HA D:ILE163 4.7 81.0 1.0 O D:ARG162 4.7 55.1 1.0 C D:ARG162 4.8 54.6 1.0 O D:PRO160 4.8 66.1 1.0 CG1 D:ILE163 4.8 60.5 1.0 HD12 D:ILE163 4.9 63.4 1.0 HH22 D:ARG251 4.9 87.3 1.0 HA D:ARG162 4.9 71.9 1.0 HB2 D:ASP161 5.0 89.6 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