Sodium in the structure of 2.37 Angstrom Resolution Crystal Structure of An Alanine Racemase (Alr) From Staphylococcus Aureus Subsp. Aureus Col (pdb 3oo2)

The binding sites of Sodium atom in the structure of 2.37 Angstrom Resolution Crystal Structure of An Alanine Racemase (Alr) From Staphylococcus Aureus Subsp. Aureus Col (pdb code 3oo2). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3oo2 structure was solved by A.S.HALAVATY, L.SHUVALOVA, G.MINASOV, J.WINSOR, I.DUBROVSKA, K.KWON, W.F.ANDERSON, CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES(CSGID), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.6-2.4 Space group P212121 a (A) 47.735 b (A) 118.310 c (A) 129.008 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 25.7 Sodium Binding Sites: Sodium binding site 1 out of 2 in 3oo2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3oo2. 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: Ile154, A: Gln155, A: Tyr157, A: Glu158, A: Gln159, A: Leu160, A: Val161, conact list: Atom Atom Distance (A) Na O A:Ile154 2.64 Na CB A:Ile154 4.96 Na CG2 A:Ile154 3.93 Na C A:Ile154 3.66 Na CA A:Ile154 4.72 Na O A:Gln155 4.82 Na N A:Gln155 4.30 Na C A:Gln155 4.54 Na CA A:Gln155 4.10 Na O A:Tyr157 2.32 Na N A:Tyr157 4.56 Na C A:Tyr157 3.46 Na CA A:Tyr157 4.56 Na O A:Glu158 4.04 Na N A:Glu158 4.16 Na C A:Glu158 4.07 Na CA A:Glu158 4.00 Na N A:Gln159 4.75 Na O A:Leu160 2.24 Na N A:Leu160 4.03 Na CB A:Leu160 4.34 Na C A:Leu160 3.39 Na CA A:Leu160 4.11 Na N A:Val161 4.42 Na CA A:Val161 4.57 interactive model: Sodium binding site 2 out of 2 in 3oo2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3oo2. 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: Ile154, B: Gln155, B: Gln156, B: Tyr157, B: Glu158, B: Leu160, B: Val161, B: Hoh446, conact list: Atom Atom Distance (A) Na O B:Ile154 2.36 Na CB B:Ile154 4.40 Na CG2 B:Ile154 3.49 Na C B:Ile154 3.21 Na CA B:Ile154 4.27 Na O B:Gln155 4.30 Na N B:Gln155 3.81 Na C B:Gln155 4.16 Na CA B:Gln155 3.76 Na N B:Gln156 4.89 Na O B:Tyr157 2.52 Na N B:Tyr157 4.44 Na C B:Tyr157 3.61 Na CA B:Tyr157 4.59 Na O B:Glu158 4.55 Na N B:Glu158 4.37 Na C B:Glu158 4.49 Na CA B:Glu158 4.32 Na O B:Leu160 2.44 Na N B:Leu160 4.35 Na CB B:Leu160 4.38 Na C B:Leu160 3.60 Na CA B:Leu160 4.32 Na N B:Val161 4.61 Na CA B:Val161 4.74 Na O B:Hoh446 2.47 interactive model: