Sodium in the structure of Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89 (pdb 4drt)

The binding sites of Sodium atom in the structure of Three Dimensional Structure of De Novo Designed Serine Hydrolase OSH26, Northeast Structural Genomics Consortium (Nesg) Target OR89 (pdb code 4drt). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 4drt structure was solved by A.KUZIN, M.SU, S.RAJAGOPALAN, J.SEETHARAMAN, S.SAHDEV, R.XIAO, C.CICCOSANTI, D.BAKER, J.K.EVERETT, T.B.ACTON, G.T.MONTELIONE, L.TONG, J.F.HUNT, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.5-2.0 Space group P32 a (A) 50.114 b (A) 50.114 c (A) 134.205 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 12.3 Rfree (%) 15.6 Sodium Binding Sites: Sodium binding site 1 out of 1 in 4drt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 4drt. 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: Mse59, A: Lys60, A: Gly62, A: Lys63, A: Phe64, A: Lys65, A: Hoh639, A: Hoh721, conact list: Atom Atom Distance (A) Na O A:Mse59 2.47 Na CB A:Mse59 4.28 Na CE A:Mse59 4.63 Na C A:Mse59 3.49 Na CA A:Mse59 3.93 Na N A:Lys60 4.67 Na O A:Gly62 4.86 Na N A:Gly62 4.04 Na C A:Gly62 4.33 Na CA A:Gly62 3.54 Na N A:Lys63 4.90 Na O A:Phe64 3.15 Na C A:Phe64 4.21 Na N A:Lys65 4.86 Na CB A:Lys65 4.85 Na CA A:Lys65 4.64 Na O A:Hoh639 4.63 Na O A:Hoh721 4.81 interactive model: