Iodine in PDB 8x17: Cryo-Em Structure of Adenosine Receptor A3AR Bound to CF102

The structure of Cryo-Em Structure of Adenosine Receptor A3AR Bound to CF102 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the Cryo-Em Structure of Adenosine Receptor A3AR Bound to CF102 (pdb code 8x17). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Cryo-Em Structure of Adenosine Receptor A3AR Bound to CF102, PDB code: 8x17:

Iodine binding site 1 out of 1 in the Cryo-Em Structure of Adenosine Receptor A3AR Bound to CF102


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Cryo-Em Structure of Adenosine Receptor A3AR Bound to CF102 within 5.0Å range: probe atom residue distance (Å) B Occ R:I401 b:20.0 occ:1.00 I28 R:XS0401 0.0 20.0 1.0 C24 R:XS0401 2.1 20.0 1.0 C25 R:XS0401 3.0 20.0 1.0 C23 R:XS0401 3.1 20.0 1.0 NE2 R:GLN167 3.2 98.3 1.0 OE1 R:GLN167 3.8 98.3 1.0 CD R:GLN167 3.9 98.3 1.0 NE2 R:GLN261 4.1 93.7 1.0 OH R:TYR265 4.1 99.5 1.0 C22 R:XS0401 4.4 20.0 1.0 C26 R:XS0401 4.4 20.0 1.0 CZ R:TYR265 4.8 99.5 1.0 C27 R:XS0401 4.9 20.0 1.0

H.Cai, S.Guo, Y.Xu, J.Sun, J.Li, Z.Xia, Y.Jiang, X.Xie, H.E.Xu. Cryo-Em Structures of Adenosine Receptor A3AR Bound to Selective Agonists Nat Commun V. 15 3252 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-47207-6