Sodium in the structure of Agao 6-Phenyl-2,3-Hexadienylamine Complex (pdb 3kn4)

The binding sites of Sodium atom in the structure of Agao 6-Phenyl-2,3-Hexadienylamine Complex (pdb code 3kn4). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3kn4 structure was solved by Y.H.NGUYEN, K.E.ERNBERG, J.M.GUSS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.0 Space group C121 a (A) 157.888 b (A) 63.335 c (A) 92.213 alpha (°) 90.00 beta (°) 112.09 gamma (°) 90.00 Rfactor (%) 17.6 Rfree (%) 22.1 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3kn4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3kn4. 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: Arg49, A: Asp440, A: Met441, A: Ala442, A: Phe446, A: Tyr546, A: Asp581, A: Ile582, A: Val583, A: Hoh760, conact list: Atom Atom Distance (A) Na NH2 A:Arg49 4.06 Na O A:Asp440 4.51 Na CB A:Asp440 4.48 Na OD2 A:Asp440 4.40 Na C A:Asp440 3.80 Na OD1 A:Asp440 2.32 Na CG A:Asp440 3.57 Na CA A:Asp440 4.19 Na O A:Met441 2.37 Na N A:Met441 3.30 Na CB A:Met441 4.31 Na C A:Met441 3.40 Na CA A:Met441 3.82 Na N A:Ala442 4.60 Na CD1 A:Phe446 4.06 Na CE1 A:Phe446 4.53 Na CB A:Tyr546 4.99 Na O A:Asp581 4.74 Na CB A:Asp581 4.48 Na OD2 A:Asp581 4.52 Na C A:Asp581 3.86 Na OD1 A:Asp581 2.40 Na CG A:Asp581 3.64 Na CA A:Asp581 4.11 Na O A:Ile582 2.37 Na N A:Ile582 3.24 Na C A:Ile582 3.37 Na CG1 A:Ile582 4.84 Na CA A:Ile582 3.88 Na N A:Val583 4.52 Na CG2 A:Val583 4.74 Na CA A:Val583 4.98 Na O A:Hoh760 2.78 interactive model: