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Sodium in PDB 3own: Potent Macrocyclic Renin Inhibitors

Enzymatic activity of Potent Macrocyclic Renin Inhibitors

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

Protein crystallography data

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

Sodium Binding Sites:

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 3own

Go back to Sodium Binding Sites List in 3own
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 3own

Go back to Sodium Binding Sites List in 3own
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

Reference:

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
Page generated: Tue Dec 15 06:20:34 2020

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