Sodium in the structure of Human Pancreatic Alpha-Amylase Complexed With Azide (pdb 3baw)

The binding sites of Sodium atom in the structure of Human Pancreatic Alpha-Amylase Complexed With Azide (pdb code 3baw). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3baw structure was solved by R.MAURUS, G.D.BRAYER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.0 Space group P212121 a (A) 51.810 b (A) 67.360 c (A) 129.730 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.3 Rfree (%) 21.4 Sodium Binding Sites: Sodium binding site 1 out of 3 in 3baw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3baw. 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: Arg195, A: Asp197, A: Ala198, A: Glu233, A: Asp300, A: Azi500, A: Hoh615, A: Hoh619, A: Hoh628, A: Hoh630, A: Hoh736, A: Hoh837, A: Hoh884, A: Hoh927, conact list: Atom Atom Distance (A) Na NH2 A:Arg195 4.47 Na OD1 A:Asp197 4.03 Na CG A:Asp197 4.86 Na N A:Ala198 4.70 Na CB A:Ala198 5.00 Na CA A:Ala198 4.89 Na OE1 A:Glu233 2.83 Na OE2 A:Glu233 2.70 Na CD A:Glu233 3.13 Na CG A:Glu233 4.63 Na OD2 A:Asp300 4.62 Na N1 A:Azi500 4.96 Na O A:Hoh615 2.63 Na O A:Hoh619 4.20 Na O A:Hoh628 3.22 Na O A:Hoh630 4.13 Na O A:Hoh736 2.66 Na O A:Hoh837 4.95 Na O A:Hoh884 3.89 Na O A:Hoh927 2.82 interactive model: Sodium binding site 2 out of 3 in 3baw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3baw. 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: Asn5, A: Thr6, A: Gln7, A: Gln8, A: Hoh596, A: Hoh669, A: Hoh808, A: Hoh878, conact list: Atom Atom Distance (A) Na C A:Asn5 4.98 Na O A:Thr6 3.34 Na C A:Thr6 4.55 Na C A:Gln7 4.98 Na NE2 A:Gln8 4.46 Na N A:Gln8 4.51 Na OE1 A:Gln8 4.18 Na CD A:Gln8 4.48 Na CA A:Gln8 4.90 Na O A:Hoh596 3.29 Na O A:Hoh669 4.34 Na O A:Hoh808 3.75 Na O A:Hoh878 4.02 interactive model: Sodium binding site 3 out of 3 in 3baw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Sodium in the PDB 3baw. 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: Pca1, A: Lys227, A: Hoh824, A: Hoh968, conact list: Atom Atom Distance (A) Na OE A:Pca1 4.49 Na CB A:Lys227 4.50 Na CD A:Lys227 3.67 Na CG A:Lys227 3.31 Na O A:Hoh824 4.93 Na O A:Hoh968 4.62 interactive model: