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Sodium in PDB 2by4: Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT.

Enzymatic activity of Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT.

All present enzymatic activity of Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT.:
3.6.3.8;

Protein crystallography data

The structure of Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT., PDB code: 2by4 was solved by A.L.Jensen, J.V.Moller, H.Soehoel, S.R.Denmeade, J.T.Isaacs, C.E.Olsen, S.B.Christensen, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 3.3
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 71.739, 71.739, 593.656, 90.00, 90.00, 90.00
R / Rfree (%) 25.4 / 31.4

Other elements in 2by4:

The structure of Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT. also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT. (pdb code 2by4). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT., PDB code: 2by4:

Sodium binding site 1 out of 1 in 2by4

Go back to Sodium Binding Sites List in 2by4
Sodium binding site 1 out of 1 in the Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Sr Ca(2+)-Atpase in the HNE2 State Complexed with the Thapsigargin Derivative Boc-12ADT. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1999

b:49.3
occ:1.00
 O A:LYS712 2.8 60.3 1.0
CB A:GLN244 3.0 0.8 1.0
O A:ALA714 3.4 61.8 1.0
OE2 A:GLU732 3.6 60.8 1.0
CG A:GLN244 3.6 0.4 1.0
C A:LYS712 4.0 62.4 1.0
CD A:GLU732 4.1 62.2 1.0
O A:GLU715 4.2 66.1 1.0
CA A:GLN244 4.4 0.9 1.0
C A:ALA714 4.4 62.0 1.0
OE1 A:GLU732 4.5 61.5 1.0
OE1 A:GLN244 4.6 0.6 1.0
C A:LYS713 4.6 63.2 1.0
CD A:GLN244 4.6 0.7 1.0
CA A:LYS713 4.7 62.2 1.0
N A:LYS713 4.8 61.5 1.0
CG A:GLU732 4.8 60.6 1.0
C A:GLU715 4.8 65.7 1.0
O A:LYS713 4.8 65.8 1.0
N A:ALA714 4.9 62.8 1.0
CA A:GLU715 4.9 64.6 1.0
CA A:LYS712 5.0 64.2 1.0

Reference:

H.Soehoel, A.L.Jensen, J.V.Moller, P.Nissen, S.R.Denmeade, J.T.Isaacs, C.E.Olsen, S.B.Christensen. Natural Products As Starting Materials For Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells Bioorg.Med.Chem. V. 14 2810 2006.
ISSN: ISSN 0968-0896
PubMed: 16412648
DOI: 10.1016/J.BMC.2005.12.001
Page generated: Mon Oct 7 02:02:32 2024

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