Sodium in PDB 4bvn: Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound

The structure of Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound, PDB code: 4bvn was solved by J.Miller, R.Nehme, T.Warne, P.C.Edwards, A.G.W.Leslie, G.Schertler, C.G.Tate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.88 / 2.10
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.093, 62.127, 95.776, 90.00, 90.00, 90.00
R / Rfree (%)	19.287 / 24.552

The binding sites of Sodium atom in the Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound (pdb code 4bvn). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound, PDB code: 4bvn:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1359 b:36.6 occ:1.00 O A:HOH3005 2.2 35.3 1.0 OG A:SER128 2.4 14.5 1.0 O A:HOH3006 2.4 58.7 1.0 O A:HOH3032 2.4 19.4 1.0 OD1 A:ASP87 2.6 30.0 1.0 CB A:SER128 3.3 14.5 1.0 CG A:ASP87 3.6 23.7 1.0 O A:HOH3003 4.0 26.4 1.0 OD1 A:ASN335 4.1 19.4 1.0 O A:HOH3036 4.1 23.3 1.0 OD2 A:ASP87 4.1 30.4 1.0 CB A:ALA86 4.2 21.4 1.0 OG A:SER336 4.2 21.1 1.0 O A:LEU83 4.4 16.3 1.0 N A:ASP87 4.4 18.6 1.0 O A:CYS124 4.4 18.3 1.0 CA A:ASP87 4.6 19.6 1.0 CE2 A:PHE299 4.6 15.3 1.0 CA A:SER128 4.6 15.0 1.0 C A:ALA86 4.6 19.7 1.0 CB A:ASP87 4.7 20.9 1.0 O A:HOH3037 4.9 48.0 1.0 O A:ALA86 4.9 17.2 1.0

Sodium binding site 2 out of 2 in the Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Ultra-Thermostable BETA1-Adrenoceptor with Cyanopindolol Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1360 b:25.5 occ:1.00 O A:CYS198 2.3 18.9 1.0 O A:ASP195 2.4 25.6 1.0 O A:CYS192 2.4 25.8 1.0 O A:HOH3021 2.5 25.8 1.0 O A:HOH3013 2.9 33.4 1.0 C A:ASP195 3.3 29.2 1.0 C A:CYS198 3.4 21.9 1.0 C A:CYS192 3.5 26.2 1.0 CA A:TYR193 4.0 28.4 1.0 O A:HOH3012 4.0 59.8 1.0 O A:TYR193 4.0 32.8 1.0 CB A:CYS198 4.0 27.2 1.0 CA A:CYS198 4.1 24.3 1.0 N A:CYS198 4.1 23.4 1.0 C A:TYR193 4.1 32.6 1.0 N A:PRO196 4.1 31.0 1.0 CA A:PRO196 4.1 29.7 1.0 N A:TYR193 4.2 25.5 1.0 N A:ASP195 4.3 30.6 1.0 SG A:CYS192 4.3 36.2 1.0 CA A:ASP195 4.3 30.4 1.0 C A:PRO196 4.3 26.4 1.0 O A:PRO196 4.5 27.3 1.0 N A:CYS199 4.6 19.0 1.0 CA A:CYS192 4.6 27.1 1.0 CB A:ASP195 4.8 31.2 1.0 N A:GLN194 4.9 34.6 1.0 CA A:CYS199 4.9 21.6 1.0 N A:GLY197 4.9 24.0 1.0 SG A:CYS198 4.9 30.8 1.0 C A:GLN194 5.0 35.3 1.0

J.L.Miller-Gallacher, R.Nehme, T.Warne, P.C.Edwards, G.F.X.Schertler, A.G.W.Leslie, C.G.Tate. The 2.1 A Resolution Structure of Cyanopindolol-Bound BETA1- Adrenoceptor Identifies An Intramembrane Na+ Ion That Stabilises the Ligand-Free Receptor. Plos One V. 9 92727 2014.
ISSN: ISSN 1932-6203
PubMed: 24663151
DOI: 10.1371/JOURNAL.PONE.0092727