Sodium in PDB 5mzp: Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Caffeine at 2.1A Resolution

The structure of Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Caffeine at 2.1A Resolution, PDB code: 5mzp was solved by K.Y.R.Cheng, E.Segala, N.Robertson, F.Deflorian, A.S.Dore, J.C.Errey, C.Fiez-Vandal, F.H.Marshall, R.M.Cooke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.53 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	39.442, 179.870, 139.640, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22

The binding sites of Sodium atom in the Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Caffeine at 2.1A Resolution (pdb code 5mzp). 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 Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Caffeine at 2.1A Resolution, PDB code: 5mzp:

Sodium binding site 1 out of 1 in the Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Caffeine at 2.1A Resolution


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 Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Caffeine at 2.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2400 b:48.6 occ:1.00 O A:HOH2573 2.4 54.5 1.0 OD1 A:ASP52 2.5 37.4 1.0 OG A:SER91 2.5 27.4 1.0 O A:HOH2546 2.5 44.7 1.0 O A:HOH2507 2.6 34.9 1.0 CB A:SER91 3.3 23.9 1.0 CG A:ASP52 3.5 33.1 1.0 ND2 A:ASN280 3.8 30.3 1.0 OD2 A:ASP52 3.9 35.5 1.0 CD1 A:LEU48 4.2 25.1 1.0 OG A:SER281 4.2 28.3 1.0 O A:HOH2524 4.4 47.5 1.0 CE2 A:PHE242 4.4 26.1 1.0 O A:HOH2537 4.5 19.9 1.0 CD2 A:PHE242 4.6 23.0 1.0 O A:LEU48 4.6 21.3 1.0 CA A:SER91 4.7 20.7 1.0 CB A:ALA51 4.7 19.1 1.0 N A:ASP52 4.8 17.3 1.0 CB A:ASP52 4.8 22.1 1.0 O A:LEU87 4.9 23.7 1.0 CA A:ASP52 4.9 20.0 1.0

R.K.Y.Cheng, E.Segala, N.Robertson, F.Deflorian, A.S.Dore, J.C.Errey, C.Fiez-Vandal, F.H.Marshall, R.M.Cooke. Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Structure V. 25 1275 2017.
ISSN: ISSN 1878-4186
PubMed: 28712806
DOI: 10.1016/J.STR.2017.06.012