Sodium in the structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II With 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide (pdb 3hlj)

The binding sites of Sodium atom in the structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II With 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide (pdb code 3hlj). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3hlj structure was solved by S.GRAZULIS, E.MANAKOVA, D.GOLOVENKO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 23.8-1.4 Space group P1211 a (A) 42.140 b (A) 40.927 c (A) 72.036 alpha (°) 90.00 beta (°) 104.23 gamma (°) 90.00 Rfactor (%) 17.5 Rfree (%) 20.6 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3hlj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3hlj. 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: Gly6, A: Tyr7, A: Gly8, A: Asn11, A: Phe231, A: Hoh358, conact list: Atom Atom Distance (A) Na N A:Gly6 4.89 Na C A:Gly6 3.94 Na CA A:Gly6 3.67 Na O A:Tyr7 4.85 Na N A:Tyr7 3.18 Na CB A:Tyr7 4.46 Na CD2 A:Tyr7 4.64 Na C A:Tyr7 4.35 Na CA A:Tyr7 4.14 Na N A:Gly8 4.56 Na ND2 A:Asn11 4.30 Na OD1 A:Asn11 4.59 Na CG A:Asn11 4.89 Na CB A:Phe231 4.46 Na CE2 A:Phe231 4.27 Na CD1 A:Phe231 4.01 Na CD2 A:Phe231 4.06 Na CZ A:Phe231 4.35 Na CE1 A:Phe231 4.22 Na CG A:Phe231 3.95 Na O A:Hoh358 3.04 interactive model: