Sodium in the structure of Crystal Structure Of Fused Docking Domains From Pikaiii and Pikaiv of the Pikromycin Polyketide Synthase (pdb 3f5h)

The binding sites of Sodium atom in the structure of Crystal Structure Of Fused Docking Domains From Pikaiii and Pikaiv of the Pikromycin Polyketide Synthase (pdb code 3f5h). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3f5h structure was solved by T.J.BUCHHOLZ, T.W.GEDERS, F.E.BARTLEY, K.A.REYNOLDS, J.L.SMITH, D.H.SHERMAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.8-1.8 Space group C2221 a (A) 59.016 b (A) 117.944 c (A) 41.773 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 25 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3f5h Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3f5h. 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: B: Arg28, B: Arg29, B: Asp31, B: Arg32, B: Arg33, B: Gln34, B: Glu35, B: Hoh44, B: Hoh101, B: Hoh105, B: Hoh138, B: Hoh140, conact list: Atom Atom Distance (A) Na O B:Arg28 2.32 Na CB B:Arg28 4.80 Na C B:Arg28 3.42 Na CA B:Arg28 4.44 Na O B:Arg29 4.53 Na N B:Arg29 4.17 Na C B:Arg29 4.40 Na CA B:Arg29 4.04 Na O B:Asp31 2.25 Na N B:Asp31 4.20 Na CB B:Asp31 3.84 Na OD2 B:Asp31 4.84 Na C B:Asp31 3.39 Na OD1 B:Asp31 4.80 Na CG B:Asp31 4.37 Na CA B:Asp31 4.02 Na N B:Arg32 4.48 Na C B:Arg32 4.91 Na CA B:Arg32 4.70 Na N B:Arg33 4.88 Na NE2 B:Gln34 4.77 Na N B:Gln34 4.11 Na OE1 B:Gln34 2.56 Na CB B:Gln34 3.81 Na CD B:Gln34 3.71 Na C B:Gln34 4.57 Na CG B:Gln34 4.36 Na CA B:Gln34 4.35 Na N B:Glu35 4.74 Na O B:Hoh44 2.28 Na O B:Hoh101 4.75 Na O B:Hoh105 4.25 Na O B:Hoh138 4.47 Na O B:Hoh140 2.24 interactive model: