Sodium in the structure of Mycobacterium Tuberculosis Chorismate Synthase in Complex With Nca (pdb 2qhf)

The binding sites of Sodium atom in the structure of Mycobacterium Tuberculosis Chorismate Synthase in Complex With Nca (pdb code 2qhf). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2qhf structure was solved by M.BRUNING, G.P.BOURENKOV, N.I.STRIZHOV, H.D.BARTUNIK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.6-1.6 Space group P6422 a (A) 132.589 b (A) 132.589 c (A) 159.565 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 16.4 Rfree (%) 18.6 Sodium Binding Sites: Sodium binding site 1 out of 2 in 2qhf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2qhf. 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: Ala24, A: Gly25, A: Ser374, A: Leu375, A: Ala376, A: Hoh913, A: Hoh914, A: Hoh918, A: Hoh919, A: Hoh920, A: Hoh989, A: Hoh1011, conact list: Atom Atom Distance (A) Na O A:Ala24 4.08 Na C A:Ala24 4.76 Na O A:Gly25 4.70 Na N A:Gly25 4.83 Na C A:Gly25 4.78 Na CA A:Gly25 4.03 Na CB A:Ser374 3.82 Na OG A:Ser374 4.07 Na C A:Ser374 4.33 Na CA A:Ser374 4.55 Na N A:Leu375 3.67 Na CB A:Leu375 3.94 Na C A:Leu375 4.14 Na CA A:Leu375 4.09 Na N A:Ala376 3.26 Na CB A:Ala376 3.73 Na CA A:Ala376 4.10 Na O A:Hoh913 2.99 Na O A:Hoh914 4.82 Na O A:Hoh918 3.67 Na O A:Hoh919 4.55 Na O A:Hoh920 2.79 Na O A:Hoh989 2.83 Na O A:Hoh1011 4.19 interactive model: Sodium binding site 2 out of 2 in 2qhf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 2qhf. 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: Pro180, A: Asn293, A: Pro307, A: Arg309, A: Hoh959, A: Hoh960, A: Hoh963, A: Hoh1065, conact list: Atom Atom Distance (A) Na CB A:Pro180 4.82 Na CD A:Pro180 3.63 Na CG A:Pro180 3.49 Na O A:Asn293 4.81 Na CB A:Asn293 3.58 Na ND2 A:Asn293 2.95 Na OD1 A:Asn293 4.96 Na CG A:Asn293 3.75 Na CA A:Asn293 4.91 Na O A:Pro307 4.88 Na CB A:Pro307 3.94 Na CD A:Pro307 4.28 Na CG A:Pro307 3.91 Na CD A:Arg309 3.75 Na CZ A:Arg309 4.83 Na CG A:Arg309 4.46 Na NE A:Arg309 3.73 Na O A:Hoh959 4.47 Na O A:Hoh960 2.92 Na O A:Hoh963 4.37 Na O A:Hoh1065 2.63 interactive model: