Sodium in the structure of Crystal Structure of Uncharacterized Tim-Barrel Protein BB4693 From Bordetella Bronchiseptica (pdb 3irs)

The binding sites of Sodium atom in the structure of Crystal Structure of Uncharacterized Tim-Barrel Protein BB4693 From Bordetella Bronchiseptica (pdb code 3irs). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3irs structure was solved by Y.PATSKOVSKY, V.MALASHKEVICH, R.TORO, R.FOTI, M.DICKEY, J.DO, J.M.SAUDER, F.M.RAUSHEL, S.K.BURLEY, S.C.ALMO, NEW YORK SGX RESEARCH CENTER FORSTRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.8 Space group C121 a (A) 74.234 b (A) 126.775 c (A) 85.671 alpha (°) 90.00 beta (°) 97.37 gamma (°) 90.00 Rfactor (%) 16.8 Rfree (%) 21.4 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3irs Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3irs. 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: Trp193, A: Gln195, A: Glu196, B: Trp193, B: Gln195, B: Glu196, C: Trp193, C: Gln195, C: Glu196, A: Hoh301, B: Hoh312, C: Hoh297, conact list: Atom Atom Distance (A) Na CE3 A:Trp193 4.53 Na CZ3 A:Trp193 4.90 Na OE1 A:Gln195 4.58 Na OE1 A:Glu196 3.41 Na OE2 A:Glu196 2.13 Na CD A:Glu196 3.13 Na CG A:Glu196 4.48 Na CE3 B:Trp193 4.42 Na CZ3 B:Trp193 4.85 Na OE1 B:Gln195 4.83 Na OE1 B:Glu196 3.31 Na OE2 B:Glu196 2.21 Na CD B:Glu196 3.13 Na CG B:Glu196 4.53 Na CE3 C:Trp193 4.61 Na CZ3 C:Trp193 4.96 Na OE1 C:Gln195 4.77 Na OE1 C:Glu196 3.51 Na OE2 C:Glu196 2.28 Na CD C:Glu196 3.25 Na CG C:Glu196 4.58 Na O A:Hoh301 2.17 Na O B:Hoh312 2.20 Na O C:Hoh297 2.13 interactive model: