Sodium in the structure of Sr Ca(2+)-Atpase in The HNE2 State Complexed With the Thapsigargin Derivative Boc-12ADT. (pdb 2by4)

The binding sites of Sodium atom in the structure of Sr Ca(2+)-Atpase in The HNE2 State Complexed With the Thapsigargin Derivative Boc-12ADT. (pdb code 2by4). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2by4 structure 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, brief refinement statistics is given in the table below: Resolution (A) 15.0-3.3 Space group P41212 a (A) 71.739 b (A) 71.739 c (A) 593.656 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 25.4 Rfree (%) 31.4 Sodium Binding Sites: Sodium binding site 1 out of 1 in 2by4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2by4. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gln244, A: Lys712, A: Lys713, A: Ala714, A: Glu715, A: Glu732, conact list: Atom Atom Distance (A) Na OE1 A:Gln244 4.57 Na CB A:Gln244 3.01 Na CD A:Gln244 4.61 Na CG A:Gln244 3.60 Na CA A:Gln244 4.36 Na O A:Lys712 2.77 Na C A:Lys712 3.97 Na CA A:Lys712 4.96 Na O A:Lys713 4.84 Na N A:Lys713 4.78 Na C A:Lys713 4.60 Na CA A:Lys713 4.67 Na O A:Ala714 3.37 Na N A:Ala714 4.86 Na C A:Ala714 4.42 Na O A:Glu715 4.24 Na C A:Glu715 4.82 Na CA A:Glu715 4.89 Na OE1 A:Glu732 4.49 Na OE2 A:Glu732 3.59 Na CD A:Glu732 4.08 Na CG A:Glu732 4.82 interactive model: