Sodium in the structure of Crystal Structure of Human Pl Kinase With Bound Theophylline (pdb 3kbi)

The binding sites of Sodium atom in the structure of Crystal Structure of Human Pl Kinase With Bound Theophylline (pdb code 3kbi). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3kbi structure was solved by M.K.SAFO, F.N.MUSAYEV, A.K.GANDHI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.2-2.1 Space group I222 a (A) 92.302 b (A) 115.848 c (A) 171.904 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.4 Rfree (%) 25.5 Sodium Binding Sites: Sodium binding site 1 out of 2 in 3kbi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3kbi. 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: Asp113, A: Val115, A: Thr148, A: Asn150, A: Glu153, A: Thr186, A: Gly234, A: Hoh662, A: Hoh669, A: Hoh670, A: Hoh671, A: Hoh672, A: Hoh720, A: Hoh767, A: Hoh892, A: Hoh939, conact list: Atom Atom Distance (A) Na OD2 A:Asp113 4.03 Na OD1 A:Asp113 3.92 Na CG A:Asp113 4.41 Na CG2 A:Val115 4.99 Na O A:Thr148 4.69 Na CB A:Asn150 4.90 Na ND2 A:Asn150 4.50 Na OE1 A:Glu153 4.02 Na OE2 A:Glu153 4.13 Na CD A:Glu153 4.48 Na OG1 A:Thr186 4.82 Na CA A:Gly234 4.71 Na O A:Hoh662 4.91 Na O A:Hoh669 2.66 Na O A:Hoh670 2.75 Na O A:Hoh671 2.82 Na O A:Hoh672 2.65 Na O A:Hoh720 3.39 Na O A:Hoh767 4.77 Na O A:Hoh892 4.82 Na O A:Hoh939 2.71 interactive model: Sodium binding site 2 out of 2 in 3kbi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3kbi. 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: Asp113, B: Thr148, B: Asn150, B: Glu153, B: Thr186, B: Gly234, B: Hoh768, B: Hoh791, B: Hoh814, B: Hoh815, B: Hoh837, B: Hoh838, B: Hoh928, B: Hoh936, B: Hoh937, B: Hoh938, conact list: Atom Atom Distance (A) Na OD2 B:Asp113 4.29 Na OD1 B:Asp113 4.34 Na CG B:Asp113 4.76 Na O B:Thr148 4.84 Na CB B:Asn150 4.95 Na ND2 B:Asn150 4.53 Na OE1 B:Glu153 4.41 Na OE2 B:Glu153 4.95 Na OG1 B:Thr186 4.56 Na CA B:Gly234 4.43 Na O B:Hoh768 4.86 Na O B:Hoh791 4.99 Na O B:Hoh814 2.84 Na O B:Hoh815 2.61 Na O B:Hoh837 4.02 Na O B:Hoh838 2.87 Na O B:Hoh928 4.63 Na O B:Hoh936 2.64 Na O B:Hoh937 3.15 Na O B:Hoh938 4.14 interactive model: