Potassium in the structure of Crystal Structure of Staphylococcal Superantigen-Like Protein 11 in Complex With Sialyl Lewis X (pdb 2rdg)

The binding sites of Potassium atom in the structure of Crystal Structure of Staphylococcal Superantigen-Like Protein 11 in Complex With Sialyl Lewis X (pdb code 2rdg). This binding sites where shown with 5.0 Angstroms radius around Potassium atom. The 2rdg structure was solved by M.C.CHUNG, B.D.WINES, H.BAKER, R.J.LANGLEY, E.N.BAKER, J.D.FRASER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 22.4-1.6 Space group C121 a (A) 97.031 b (A) 57.945 c (A) 43.462 alpha (°) 90.00 beta (°) 101.83 gamma (°) 90.00 Rfactor (%) 17.4 Rfree (%) 20.7 Potassium Binding Sites: Potassium binding site 1 out of 3 in 2rdg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Potassium in the PDB 2rdg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Potassium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gln99, A: Asn100, A: Val101, A: Lys162, A: Hoh664, A: Hoh832, A: Hoh859, A: Hoh910, A: Hoh916, A: Hoh944, A: Hoh945, conact list: Atom Atom Distance (A) K NE2 A:Gln99 4.16 K OE1 A:Gln99 2.89 K CD A:Gln99 3.64 K CG A:Gln99 4.62 K O A:Asn100 2.64 K N A:Asn100 4.49 K C A:Asn100 3.85 K CA A:Asn100 4.73 K N A:Val101 4.73 K CG1 A:Val101 4.58 K CA A:Val101 4.64 K NZ A:Lys162 4.56 K O A:Hoh664 2.73 K O A:Hoh832 2.91 K O A:Hoh859 3.03 K O A:Hoh910 4.59 K O A:Hoh916 4.21 K O A:Hoh944 2.70 K O A:Hoh945 4.40 interactive model: Potassium binding site 2 out of 3 in 2rdg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Potassium in the PDB 2rdg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Potassium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gln8, A: Gln11, A: Cit608, A: Hoh757, A: Hoh854, A: Hoh902, conact list: Atom Atom Distance (A) K NE2 A:Gln8 4.00 K OE1 A:Gln8 3.18 K CD A:Gln8 3.99 K NE2 A:Gln11 4.34 K OE1 A:Gln11 2.78 K CD A:Gln11 3.86 K C6 A:Cit608 3.73 K O5 A:Cit608 4.79 K O2 A:Cit608 2.76 K C1 A:Cit608 3.83 K O1 A:Cit608 4.79 K C3 A:Cit608 3.83 K O7 A:Cit608 2.90 K O3 A:Cit608 4.67 K O6 A:Cit608 3.04 K C2 A:Cit608 4.39 K O A:Hoh757 3.62 K O A:Hoh854 3.00 K O A:Hoh902 3.27 interactive model: Potassium binding site 3 out of 3 in 2rdg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Potassium in the PDB 2rdg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Potassium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ser108, A: Thr109, A: Gly110, A: Gln111, A: His112, A: Thr113, A: Thr114, A: Hoh752, conact list: Atom Atom Distance (A) K CB A:Ser108 3.84 K OG A:Ser108 2.96 K C A:Ser108 4.99 K CA A:Ser108 4.24 K N A:Thr109 4.86 K O A:Gly110 2.90 K N A:Gly110 4.85 K C A:Gly110 4.13 K O A:Gln111 3.56 K N A:Gln111 4.91 K C A:Gln111 4.01 K CA A:Gln111 4.74 K N A:His112 4.44 K C A:His112 4.38 K CA A:His112 4.63 K O A:Thr113 3.14 K N A:Thr113 3.91 K C A:Thr113 3.92 K CA A:Thr113 4.54 K N A:Thr114 4.74 K OG1 A:Thr114 3.80 K O A:Hoh752 2.93 interactive model: