Sodium in the structure of Crystal Structure Analysis Of A Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase' (pdb 3k7f)

The binding sites of Sodium atom in the structure of Crystal Structure Analysis Of A Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase' (pdb code 3k7f). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3k7f structure was solved by M.MILENI, R.C.STEVENS, D.L.BOGER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 38.5-1.9 Space group P3221 a (A) 103.870 b (A) 103.870 c (A) 255.410 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 15.4 Rfree (%) 18.8 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3k7f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3k7f. 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: Ile407, B: Gly485, B: Arg486, B: Ile530, B: Trp531, B: Hoh4, B: Hoh5, B: Hoh6, B: Hoh810, B: Hoh913, conact list: Atom Atom Distance (A) Na CD1 B:Ile407 4.80 Na O B:Gly485 4.71 Na O B:Arg486 4.68 Na C B:Arg486 4.88 Na CA B:Arg486 4.65 Na CG2 B:Ile530 4.86 Na CD1 B:Trp531 4.09 Na CZ2 B:Trp531 4.95 Na CE2 B:Trp531 4.49 Na NE1 B:Trp531 3.37 Na O B:Hoh4 3.03 Na O B:Hoh5 3.10 Na O B:Hoh6 4.96 Na O B:Hoh810 3.01 Na O B:Hoh913 3.49 interactive model: