Sodium in the structure of High Resolution Crystal Structure of Cypet Mutant A167I (pdb 3la1)

The binding sites of Sodium atom in the structure of High Resolution Crystal Structure of Cypet Mutant A167I (pdb code 3la1). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3la1 structure was solved by X.HU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 34.9-1.3 Space group P212121 a (A) 50.777 b (A) 63.129 c (A) 69.746 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 12.7 Rfree (%) 15.9 Sodium Binding Sites: Sodium binding site 1 out of 2 in 3la1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3la1. 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: His148, A: Asn149, A: Tyr151, A: Hoh424, A: Hoh498, A: Hoh657, A: Hoh658, conact list: Atom Atom Distance (A) Na CB A:His148 3.71 Na ND1 A:His148 3.83 Na C A:His148 3.89 Na CG A:His148 4.25 Na CA A:His148 3.69 Na O A:Asn149 4.21 Na N A:Asn149 3.13 Na CB A:Asn149 3.92 Na ND2 A:Asn149 4.34 Na C A:Asn149 4.65 Na OD1 A:Asn149 4.97 Na CG A:Asn149 4.25 Na CA A:Asn149 4.05 Na CE2 A:Tyr151 4.70 Na OH A:Tyr151 4.62 Na O A:Hoh424 3.27 Na O A:Hoh498 2.72 Na O A:Hoh657 2.33 Na O A:Hoh658 2.69 interactive model: Sodium binding site 2 out of 2 in 3la1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3la1. 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: Tyr145, A: Gln204, A: Ser205, A: Ala206, A: Leu221, A: Glu222, A: Phe223, A: Hoh634, conact list: Atom Atom Distance (A) Na CD1 A:Tyr145 4.85 Na CZ A:Tyr145 4.79 Na CE1 A:Tyr145 3.99 Na OH A:Tyr145 4.65 Na O A:Gln204 3.69 Na CB A:Gln204 4.44 Na C A:Gln204 4.19 Na N A:Ser205 4.54 Na C A:Ser205 4.29 Na CA A:Ser205 4.48 Na N A:Ala206 3.69 Na CB A:Ala206 3.56 Na CA A:Ala206 4.24 Na O A:Leu221 2.89 Na CB A:Leu221 4.45 Na CD2 A:Leu221 4.43 Na C A:Leu221 3.74 Na CG A:Leu221 4.08 Na CA A:Leu221 4.71 Na N A:Glu222 4.28 Na C A:Glu222 4.67 Na CA A:Glu222 4.26 Na N A:Phe223 4.55 Na CE2 A:Phe223 3.91 Na CD2 A:Phe223 3.59 Na CG A:Phe223 4.78 Na O A:Hoh634 2.83 interactive model: