Sodium in PDB 4amj: Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol

The structure of Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol, PDB code: 4amj was solved by T.Warne, P.C.Edwards, A.G.Leslie, C.G.Tate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.33 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.056, 62.196, 100.926, 90.00, 109.17, 90.00
R / Rfree (%)	20.2 / 24

The binding sites of Sodium atom in the Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol (pdb code 4amj). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol, PDB code: 4amj:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1360 b:43.9 occ:1.00 O A:HOH2014 2.3 57.8 1.0 O A:CYS198 2.4 40.9 1.0 O A:ASP195 2.4 46.5 1.0 O A:HOH2028 2.6 43.7 1.0 O A:CYS192 2.6 38.2 1.0 O A:HOH2015 2.8 41.6 1.0 O A:HOH2013 3.4 63.8 1.0 C A:ASP195 3.5 51.5 1.0 C A:CYS198 3.5 42.7 1.0 C A:CYS192 3.6 39.2 1.0 O A:TYR193 3.8 48.2 1.0 C A:TYR193 3.8 43.0 1.0 CA A:TYR193 3.9 37.8 1.0 CB A:CYS198 4.1 41.0 1.0 N A:CYS198 4.2 38.9 1.0 CA A:CYS198 4.2 41.9 1.0 N A:TYR193 4.2 37.1 1.0 CA A:PRO196 4.3 49.6 1.0 N A:ASP195 4.3 49.5 1.0 N A:PRO196 4.3 51.5 1.0 CA A:ASP195 4.4 48.3 1.0 C A:PRO196 4.5 47.3 1.0 SG A:CYS192 4.5 53.1 1.0 N A:GLN194 4.5 50.1 1.0 N A:CYS199 4.6 42.9 1.0 O A:PRO196 4.6 49.0 1.0 CA A:CYS192 4.8 43.7 1.0 OG A:SER111 4.8 49.1 1.0 CA A:CYS199 4.8 43.2 1.0 C A:GLN194 4.8 52.7 1.0 O A:HOH2016 4.8 50.0 1.0 CB A:ASP195 4.9 43.1 1.0

Sodium binding site 2 out of 2 in the Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Turkey BETA1 Adrenergic Receptor with Stabilising Mutations and Bound Biased Agonist Carvedilol within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1361 b:48.9 occ:1.00 O B:HOH2033 2.5 40.4 1.0 O B:ASP195 2.5 46.8 1.0 O B:CYS192 2.5 35.9 1.0 O B:CYS198 2.5 41.0 1.0 O B:HOH2016 2.9 62.5 1.0 O B:HOH2034 2.9 70.1 1.0 C B:ASP195 3.4 46.7 1.0 O B:TYR193 3.6 47.0 1.0 C B:CYS198 3.6 44.6 1.0 C B:CYS192 3.7 39.7 1.0 C B:TYR193 3.9 46.6 1.0 CA B:TYR193 3.9 41.3 1.0 N B:ASP195 4.0 48.2 1.0 CB B:CYS198 4.0 47.0 1.0 CA B:CYS198 4.2 45.9 1.0 N B:PRO196 4.2 51.2 1.0 N B:CYS198 4.2 44.7 1.0 CA B:PRO196 4.3 50.8 1.0 N B:TYR193 4.3 38.7 1.0 CA B:ASP195 4.3 43.4 1.0 SG B:CYS192 4.4 51.6 1.0 C B:PRO196 4.5 48.4 1.0 O B:HOH2014 4.6 56.3 1.0 O B:PRO196 4.7 43.5 1.0 N B:GLN194 4.7 50.8 1.0 N B:CYS199 4.8 40.8 1.0 CA B:CYS192 4.8 44.3 1.0 CB B:ASP195 4.8 42.5 1.0 C B:GLN194 4.9 53.4 1.0 O B:HOH2037 5.0 46.5 1.0 SG B:CYS198 5.0 49.9 1.0

T.Warne, P.C.Edwards, A.G.Leslie, C.G.Tate. Crystal Structures of A Stabilized BETA1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol Structure V. 20 841 2012.
ISSN: ISSN 0969-2126
PubMed: 22579251
DOI: 10.1016/J.STR.2012.03.014