Sodium in the structure of Agao in Complex With WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B) (pdb 2cg1)

The binding sites of Sodium atom in the structure of Agao in Complex With WC11B (Ru-Wire Inhibitor, 11-Carbon Linker, Data Set B) (pdb code 2cg1). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2cg1 structure was solved by D.B.LANGLEY, A.P.DUFF, H.C.FREEMAN, J.M.GUSS, G.A.JUDA, D.M.DOOLEY, S.M.CONTAKES, N.W.HALPERN-MANNERS, A.R.DUNN, H.B.GRAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-1.7 Space group C121 a (A) 157.919 b (A) 63.042 c (A) 92.067 alpha (°) 90.00 beta (°) 112.19 gamma (°) 90.00 Rfactor (%) 16 Rfree (%) 17.9 Sodium Binding Sites: Sodium binding site 1 out of 1 in 2cg1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2cg1. 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: Asn273, A: Asp440, A: Met441, A: Ala442, A: Phe446, A: Asn448, A: Tyr546, A: Asp581, A: Ile582, A: Val583, A: Hoh2301, conact list: Atom Atom Distance (A) Na HH22 A:Arg49 4.04 Na HH21 A:Arg49 3.48 Na NH2 A:Arg49 4.09 Na HB3 A:Asn273 4.76 Na O A:Asp440 4.47 Na CB A:Asp440 4.57 Na HA A:Asp440 3.88 Na OD2 A:Asp440 4.41 Na OD1 A:Asp440 2.39 Na C A:Asp440 3.83 Na CG A:Asp440 3.65 Na CA A:Asp440 4.26 Na HB2 A:Met441 3.86 Na N A:Met441 3.37 Na CB A:Met441 4.43 Na C A:Met441 3.41 Na CA A:Met441 3.88 Na O A:Met441 2.35 Na HA A:Met441 4.77 Na H A:Met441 3.19 Na HB2 A:Ala442 4.63 Na N A:Ala442 4.59 Na HA A:Ala442 4.56 Na HB3 A:Phe446 4.90 Na CD1 A:Phe446 3.96 Na HD1 A:Phe446 3.13 Na O A:Phe446 4.87 Na HA A:Phe446 4.54 Na HE1 A:Phe446 3.97 Na CE1 A:Phe446 4.39 Na OD1 A:Asn448 4.97 Na HB2 A:Tyr546 4.03 Na CB A:Tyr546 4.89 Na HB3 A:Tyr546 4.96 Na O A:Asp581 4.65 Na CB A:Asp581 4.45 Na HA A:Asp581 3.55 Na OD2 A:Asp581 4.49 Na OD1 A:Asp581 2.39 Na C A:Asp581 3.81 Na CG A:Asp581 3.63 Na CA A:Asp581 4.05 Na N A:Ile582 3.24 Na HG13 A:Ile582 4.60 Na HG12 A:Ile582 4.52 Na C A:Ile582 3.43 Na CG1 A:Ile582 4.91 Na CA A:Ile582 3.91 Na O A:Ile582 2.45 Na HA A:Ile582 4.51 Na H A:Ile582 2.87 Na N A:Val583 4.58 Na CG2 A:Val583 4.81 Na HG21 A:Val583 4.06 Na HG22 A:Val583 4.67 Na HA A:Val583 4.59 Na O A:Hoh2301 2.70 interactive model: