Sodium in PDB 8rw0: Crystal Structure of the Adenosine A2A Receptor in Complex with Istradefylline

The structure of Crystal Structure of the Adenosine A2A Receptor in Complex with Istradefylline, PDB code: 8rw0 was solved by H.Glover, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.42 / 1.94
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	39.333, 179.345, 139.86, 90, 90, 90
R / Rfree (%)	19.2 / 21.7

The binding sites of Sodium atom in the Crystal Structure of the Adenosine A2A Receptor in Complex with Istradefylline (pdb code 8rw0). 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 the Adenosine A2A Receptor in Complex with Istradefylline, PDB code: 8rw0:

Sodium binding site 1 out of 1 in the Crystal Structure of the Adenosine A2A Receptor in Complex with Istradefylline


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 the Adenosine A2A Receptor in Complex with Istradefylline within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1228 b:41.8 occ:1.00 O A:HOH1339 2.3 33.8 1.0 OD1 A:ASP52 2.4 30.4 1.0 OG A:SER91 2.6 21.8 1.0 O A:HOH1383 2.6 29.7 1.0 O A:HOH1364 2.6 26.6 1.0 CG A:ASP52 3.4 29.2 1.0 CB A:SER91 3.4 17.2 1.0 OD2 A:ASP52 3.6 29.1 1.0 OD1 A:ASN280 3.9 23.4 1.0 OG A:SER281 4.2 25.2 1.0 CD1 A:LEU48 4.2 22.4 1.0 O A:HOH1363 4.3 34.3 1.0 O A:HOH1345 4.3 19.5 1.0 CE2 A:PHE242 4.4 20.1 1.0 CD2 A:PHE242 4.5 20.4 1.0 CB A:ASP52 4.7 22.1 1.0 CA A:SER91 4.7 17.2 1.0 CB A:ALA51 4.8 18.3 1.0 O A:LEU87 4.8 17.9 1.0 N A:ASP52 4.8 18.1 1.0 O A:LEU48 4.9 18.0 1.0 CA A:ASP52 4.9 19.7 1.0

H.Glover, T.Sassmannshausen, Q.Bertrand, M.Trabuco, C.Slavov, A.Bacchin, F.Andres, Y.Kondo, R.Stipp, M.Wranik, G.Khusainov, M.Carrillo, D.Kekilli, J.Nan, A.Gonzalez, R.Cheng, W.Neidhart, T.Weinert, F.Leonarski, F.Dworkowski, M.Kepa, J.Wachtveitl, M.Hennig, J.Standfuss. Photoswitch Dissociation From A G Protein-Coupled Receptor Resolved By Time-Resolved Serial Crystallography. Nat Commun V. 15 10837 2024.
ISSN: ESSN 2041-1723
PubMed: 39738009
DOI: 10.1038/S41467-024-55109-W