Sodium in PDB 8gne: Crystal Structure of Human Adenosine A2A Receptor in Complex with An Insurmountable Inverse Agonist, Kw-6356.

The structure of Crystal Structure of Human Adenosine A2A Receptor in Complex with An Insurmountable Inverse Agonist, Kw-6356., PDB code: 8gne was solved by M.Suzuki, J.Saito, H.Miyagi, M.Yasunaga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.17 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	39.35, 180.51, 141.24, 90, 90, 90
R / Rfree (%)	19 / 23.5

The binding sites of Sodium atom in the Crystal Structure of Human Adenosine A2A Receptor in Complex with An Insurmountable Inverse Agonist, Kw-6356. (pdb code 8gne). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Human Adenosine A2A Receptor in Complex with An Insurmountable Inverse Agonist, Kw-6356., PDB code: 8gne:

Sodium binding site 1 out of 1 in the Crystal Structure of Human Adenosine A2A Receptor in Complex with An Insurmountable Inverse Agonist, Kw-6356.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Adenosine A2A Receptor in Complex with An Insurmountable Inverse Agonist, Kw-6356. within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1224 b:59.9 occ:1.00 OD1 A:ASP52 2.6 38.6 1.0 O A:HOH1337 2.6 37.3 1.0 OG A:SER91 2.9 29.2 1.0 O A:HOH1359 3.2 69.8 1.0 CG A:ASP52 3.3 35.9 1.0 O A:HOH1328 3.4 50.7 1.0 OD2 A:ASP52 3.4 37.3 1.0 CB A:SER91 3.6 28.4 1.0 OD1 A:ASN280 3.6 34.9 1.0 CD1 A:LEU48 4.0 28.5 1.0 CE2 A:PHE242 4.3 30.5 1.0 OG A:SER281 4.4 35.3 1.0 CD2 A:PHE242 4.5 29.6 1.0 O A:HOH1309 4.5 29.8 1.0 CB A:ASP52 4.8 32.5 1.0 CG A:ASN280 4.8 33.3 1.0 CA A:SER91 4.9 27.3 1.0 CG A:LEU48 4.9 28.8 1.0

Y.Ohno, M.Suzuki, H.Asada, T.Kanda, M.Saki, H.Miyagi, M.Yasunaga, C.Suno, S.Iwata, J.I.Saito, S.Uchida. In Vitro Pharmacological Profile of Kw-6356, A Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist. Mol.Pharmacol. 2023.
ISSN: ESSN 1521-0111
PubMed: 36894319
DOI: 10.1124/MOLPHARM.122.000633