Sodium in PDB 6ps7: Xfel A2AR Structure By Ligand Exchange From LUF5843 to ZM241385.

The structure of Xfel A2AR Structure By Ligand Exchange From LUF5843 to ZM241385., PDB code: 6ps7 was solved by A.Ishchenko, B.Stauch, G.W.Han, A.Batyuk, A.Shiriaeva, C.Li, N.A.Zatsepin, U.Weierstall, W.Liu, E.Nango, T.Nakane, R.Tanaka, K.Tono, Y.Joti, S.Iwata, I.Moraes, C.Gati, C.Cherezov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.49 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	40.320, 180.490, 142.480, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.1

The binding sites of Sodium atom in the Xfel A2AR Structure By Ligand Exchange From LUF5843 to ZM241385. (pdb code 6ps7). 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 Xfel A2AR Structure By Ligand Exchange From LUF5843 to ZM241385., PDB code: 6ps7:

Sodium binding site 1 out of 1 in the Xfel A2AR Structure By Ligand Exchange From LUF5843 to ZM241385.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Xfel A2AR Structure By Ligand Exchange From LUF5843 to ZM241385. within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1228 b:33.2 occ:1.00 O A:HOH1357 2.4 34.6 1.0 OD1 A:ASP52 2.4 26.4 1.0 OG A:SER91 2.5 24.5 1.0 O A:HOH1380 2.5 39.0 1.0 O A:HOH1319 2.6 30.1 1.0 CG A:ASP52 3.3 26.1 1.0 CB A:SER91 3.4 22.2 1.0 OD2 A:ASP52 3.6 26.6 1.0 OD1 A:ASN280 4.0 28.4 1.0 CD1 A:LEU48 4.1 32.7 1.0 O A:HOH1351 4.3 38.4 1.0 O A:HOH1364 4.4 47.6 1.0 OG A:SER281 4.4 27.8 1.0 O A:HOH1312 4.5 30.5 1.0 CE2 A:PHE242 4.7 29.4 1.0 CB A:ASP52 4.7 24.8 1.0 CA A:SER91 4.7 22.7 1.0 N A:ASP52 4.8 23.8 1.0 CB A:ALA51 4.8 26.2 1.0 O A:LEU87 4.8 26.3 1.0 O A:LEU48 4.8 28.7 1.0 CA A:ASP52 4.9 23.9 1.0 CD2 A:PHE242 4.9 26.4 1.0

A.Ishchenko, B.Stauch, G.W.Han, A.Batyuk, A.Shiriaeva, C.Li, N.A.Zatsepin, U.Weierstall, W.Liu, E.Nango, T.Nakane, R.Tanaka, K.Tono, Y.Joti, S.Iwata, I.Moraes, C.Gati, V.Cherezov. Toward G Protein-Coupled Receptor Structure-Based Drug Design Using X-Ray Lasers Iucrj V. 6 1106 2019.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252519013137