Sodium in the structure of Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant (pdb 1ikp)

The binding sites of Sodium atom in the structure of Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant (pdb code 1ikp). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 1ikp structure was solved by D.B.MCKAY, J.E.WEDEKIND, C.B.TRAME, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 21.8-1.4 Space group P1211 a (A) 59.910 b (A) 99.070 c (A) 58.630 alpha (°) 90.00 beta (°) 97.34 gamma (°) 90.00 Rfactor (%) 20.5 Rfree (%) 22.8 Sodium Binding Sites: Sodium binding site 1 out of 2 in 1ikp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 1ikp. 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: Asn62, A: Ala63, A: Ser65, A: Glu76, A: Gly77, A: Gly78, A: Hoh718, A: Hoh719, A: Hoh874, A: Hoh1039, conact list: Atom Atom Distance (A) Na O A:Asn62 2.42 Na CB A:Asn62 4.30 Na C A:Asn62 3.59 Na CA A:Asn62 4.36 Na O A:Ala63 4.79 Na N A:Ala63 4.60 Na C A:Ala63 4.68 Na CA A:Ala63 4.74 Na OG A:Ser65 4.57 Na O A:Glu76 4.97 Na OE2 A:Glu76 4.52 Na N A:Gly77 4.90 Na C A:Gly77 4.77 Na CA A:Gly77 4.18 Na O A:Gly78 4.77 Na N A:Gly78 4.97 Na O A:Hoh718 3.92 Na O A:Hoh719 2.25 Na O A:Hoh874 2.27 Na O A:Hoh1039 2.40 interactive model: Sodium binding site 2 out of 2 in 1ikp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 1ikp. 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: Asp54, A: Ala55, A: Asp69, A: Gly70, A: Glu157, A: Hoh751, A: Hoh1074, A: Hoh1105, A: Hoh1214, conact list: Atom Atom Distance (A) Na O A:Asp54 2.38 Na CB A:Asp54 4.44 Na OD2 A:Asp54 4.52 Na C A:Asp54 3.57 Na CG A:Asp54 4.55 Na CA A:Asp54 4.62 Na N A:Ala55 4.34 Na CB A:Ala55 4.23 Na CA A:Ala55 4.23 Na O A:Asp69 2.76 Na CB A:Asp69 4.16 Na C A:Asp69 3.38 Na CA A:Asp69 3.70 Na N A:Gly70 4.38 Na CA A:Gly70 4.88 Na O A:Glu157 4.23 Na O A:Hoh751 4.67 Na O A:Hoh1074 2.53 Na O A:Hoh1105 2.31 Na O A:Hoh1214 2.40 interactive model: