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Sodium in PDB 5mzj: Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Theophylline at 2.0A Resolution

Protein crystallography data

The structure of Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Theophylline at 2.0A Resolution, PDB code: 5mzj was solved by 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, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.60 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 39.246, 179.867, 139.398, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 20.5

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Theophylline at 2.0A Resolution (pdb code 5mzj). 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 Theophylline at 2.0A Resolution, PDB code: 5mzj:

Sodium binding site 1 out of 1 in 5mzj

Go back to Sodium Binding Sites List in 5mzj
Sodium binding site 1 out of 1 in the Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Theophylline at 2.0A 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 Theophylline at 2.0A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na2400

b:35.9
occ:1.00
O A:HOH2567 2.2 32.9 1.0
OD1 A:ASP52 2.4 26.9 1.0
OG A:SER91 2.5 17.3 1.0
O A:HOH2534 2.6 30.4 1.0
O A:HOH2604 2.6 34.9 1.0
CB A:SER91 3.4 15.1 1.0
CG A:ASP52 3.4 29.7 1.0
OD2 A:ASP52 3.8 32.2 1.0
OD1 A:ASN280 3.9 27.2 1.0
CD1 A:LEU48 4.1 23.8 1.0
O A:HOH2597 4.2 35.5 1.0
OG A:SER281 4.2 23.3 1.0
O A:HOH2556 4.3 21.6 1.0
CE1 A:PHE242 4.3 21.7 1.0
CD1 A:PHE242 4.5 19.8 1.0
CA A:SER91 4.7 17.4 1.0
CB A:ASP52 4.7 19.4 1.0
CB A:ALA51 4.8 16.8 1.0
O A:LEU87 4.8 19.9 1.0
O A:LEU48 4.8 20.2 1.0
N A:ASP52 4.8 16.2 1.0
O A:HOH2622 4.8 38.7 1.0
CA A:ASP52 4.9 14.6 1.0
CG A:ASN280 5.0 25.2 1.0

Reference:

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
Page generated: Mon Aug 18 01:13:44 2025

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