Sodium in PDB 2q1h: Ancestral Corticoid Receptor in Complex with Aldosterone

The structure of Ancestral Corticoid Receptor in Complex with Aldosterone, PDB code: 2q1h was solved by E.A.Ortlund, J.T.Bridgham, M.R.Redinbo, J.W.Thornton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.27 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.658, 79.658, 113.871, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 22.2

The binding sites of Sodium atom in the Ancestral Corticoid Receptor in Complex with Aldosterone (pdb code 2q1h). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Ancestral Corticoid Receptor in Complex with Aldosterone, PDB code: 2q1h:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Ancestral Corticoid Receptor in Complex with Aldosterone


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ancestral Corticoid Receptor in Complex with Aldosterone within 5.0Å range: probe atom residue distance (Å) B Occ A:Na248 b:59.1 occ:1.00 OD1 A:ASP60 2.9 43.3 1.0 OG1 A:THR63 3.3 38.1 1.0 O A:ASP59 3.9 45.2 1.0 C A:ASP59 3.9 47.0 1.0 N A:ASP60 4.0 45.6 1.0 CA A:ASP60 4.0 44.7 1.0 CB A:THR63 4.1 36.4 1.0 CG A:ASP60 4.1 44.8 1.0 CB A:ASP59 4.1 50.9 1.0 CD2 A:LEU149 4.2 44.6 1.0 CG2 A:THR63 4.5 36.1 1.0 CG A:LYS150 4.5 48.5 1.0 O A:HOH518 4.5 58.4 1.0 CB A:ASP60 4.6 44.0 1.0 CA A:LEU149 4.7 45.9 1.0 N A:LYS150 4.7 47.2 1.0 CG A:PRO145 4.7 36.8 1.0 CE A:LYS150 4.7 50.3 1.0 O A:GLY148 4.7 45.7 1.0 CA A:ASP59 4.7 48.7 1.0 CD A:LYS150 4.9 50.1 1.0

Sodium binding site 2 out of 2 in the Ancestral Corticoid Receptor in Complex with Aldosterone


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Ancestral Corticoid Receptor in Complex with Aldosterone within 5.0Å range: probe atom residue distance (Å) B Occ A:Na249 b:60.8 occ:1.00 OE2 A:GLU121 2.8 39.0 1.0 OE1 A:GLN117 3.1 48.7 1.0 O A:GLN120 3.5 27.4 1.0 C A:GLN120 3.6 27.9 1.0 CD A:GLU121 3.7 37.1 1.0 N A:GLU121 3.8 26.8 1.0 CA A:GLU121 3.9 27.2 1.0 CB A:GLN120 3.9 28.9 1.0 CD A:ARG124 4.0 35.1 1.0 CG A:GLU121 4.0 35.1 1.0 CB A:ARG124 4.1 30.7 1.0 NE A:ARG124 4.1 36.4 1.0 CD A:GLN117 4.3 44.7 1.0 CA A:GLN120 4.4 27.6 1.0 CB A:GLU121 4.6 29.9 1.0 NE2 A:GLN117 4.6 43.3 1.0 O A:HOH558 4.6 65.4 1.0 CG A:ARG124 4.7 33.4 1.0 O A:HOH550 4.7 55.3 1.0 O A:GLN117 4.8 27.1 1.0 OE1 A:GLU121 4.8 41.0 1.0 NE2 A:GLN120 4.9 42.2 1.0

E.A.Ortlund, J.T.Bridgham, M.R.Redinbo, J.W.Thornton. Crystal Structure of An Ancient Protein: Evolution By Conformational Epistasis. Science V. 317 1544 2007.
ISSN: ISSN 0036-8075
PubMed: 17702911
DOI: 10.1126/SCIENCE.1142819