Sodium in PDB 3own: Potent Macrocyclic Renin Inhibitors

All present enzymatic activity of Potent Macrocyclic Renin Inhibitors:
3.4.23.15;

The structure of Potent Macrocyclic Renin Inhibitors, PDB code: 3own was solved by N.Borkakoti, D.Derbyshire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.89 / 2.00
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	141.827, 141.827, 141.827, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.4

The binding sites of Sodium atom in the Potent Macrocyclic Renin Inhibitors (pdb code 3own). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Potent Macrocyclic Renin Inhibitors, PDB code: 3own:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Potent Macrocyclic Renin Inhibitors


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Potent Macrocyclic Renin Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Na802 b:41.0 occ:0.33 O A:ACT801 3.1 58.9 1.0 C A:ACT801 4.4 58.8 1.0

Sodium binding site 2 out of 2 in the Potent Macrocyclic Renin Inhibitors


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Potent Macrocyclic Renin Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Na803 b:34.1 occ:0.33 OXT A:ACT801 2.4 58.9 1.0 OXT A:ACT804 2.7 58.9 1.0 C A:ACT801 3.6 58.8 1.0 C A:ACT804 3.8 59.0 1.0 CD2 A:LEU118 4.0 22.8 1.0 CD2 A:PHE250 4.2 40.5 1.0 CH3 A:ACT804 4.2 59.1 1.0 O A:ACT801 4.4 58.9 1.0 CE2 A:PHE250 4.4 41.5 1.0 CH3 A:ACT801 4.5 58.5 1.0 O A:ACT804 4.8 58.3 1.0

C.Sund, O.Belda, D.Wiktelius, C.Sahlberg, L.Vrang, S.Sedig, E.Hamelink, I.Henderson, T.Agback, K.Jansson, N.Borkakoti, D.Derbyshire, A.Eneroth, B.Samuelsson. Design and Synthesis of Potent Macrocyclic Renin Inhibitors. Bioorg.Med.Chem.Lett. V. 21 358 2011.
ISSN: ISSN 0960-894X
PubMed: 21112780
DOI: 10.1016/J.BMCL.2010.10.140