Chlorine in PDB 6iiv: Crystal Structure of the Human Thromboxane A2 Receptor Bound to Daltroban

The structure of Crystal Structure of the Human Thromboxane A2 Receptor Bound to Daltroban, PDB code: 6iiv was solved by H.Fan, Q.Zhao, B.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.35 / 3.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.530, 152.170, 125.220, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.7

The structure of Crystal Structure of the Human Thromboxane A2 Receptor Bound to Daltroban also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Human Thromboxane A2 Receptor Bound to Daltroban (pdb code 6iiv). 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 the Human Thromboxane A2 Receptor Bound to Daltroban, PDB code: 6iiv:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Human Thromboxane A2 Receptor Bound to Daltroban


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 the Human Thromboxane A2 Receptor Bound to Daltroban within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl9001 b:96.5 occ:1.00 CL A:A909001 0.0 96.5 1.0 C11 A:A909001 1.7 93.2 1.0 C10 A:A909001 2.7 91.7 1.0 C12 A:A909001 2.7 93.1 1.0 CH2 A:TRP258 3.4 84.7 1.0 O A:MET112 3.5 80.7 1.0 CE1 A:PHE184 3.5 85.6 1.0 CZ3 A:TRP258 3.6 84.3 1.0 CZ A:PHE184 3.8 84.8 1.0 CA A:GLY116 3.9 82.7 1.0 CD1 A:LEU294 3.9 94.2 1.0 CE A:MET112 4.0 83.1 1.0 C13 A:A909001 4.0 94.4 1.0 C9 A:A909001 4.0 92.1 1.0 CZ A:PHE200 4.2 90.5 1.0 C A:MET112 4.3 80.5 1.0 CD2 A:LEU261 4.5 79.7 1.0 C8 A:A909001 4.5 94.2 1.0 CD1 A:PHE184 4.5 85.8 1.0 N A:GLY116 4.6 82.6 1.0 CB A:MET112 4.7 78.0 1.0 CZ2 A:TRP258 4.7 85.1 1.0 CA A:MET112 4.8 75.6 1.0 CE2 A:PHE184 4.9 87.8 1.0 CE2 A:PHE200 4.9 93.2 1.0 SD A:MET112 4.9 86.1 1.0 CE3 A:TRP258 5.0 83.8 1.0

H.Fan, S.Chen, X.Yuan, S.Han, H.Zhang, W.Xia, Y.Xu, Q.Zhao, B.Wu. Structural Basis For Ligand Recognition of the Human Thromboxane A2RECEPTOR. Nat. Chem. Biol. V. 15 27 2019.
ISSN: ESSN 1552-4469
PubMed: 30510189
DOI: 10.1038/S41589-018-0170-9