Potassium in the structure of Crystal Structure of H159A Apah Complexed With N8-Acetylspermidine (pdb 3q9c)

The binding sites of Potassium atom in the structure of Crystal Structure of H159A Apah Complexed With N8-Acetylspermidine (pdb code 3q9c). This binding sites where shown with 5.0 Angstroms radius around Potassium atom. The 3q9c structure was solved by P.M.LOMBARDI, D.W.CHRISTIANSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.3 Space group P1 a (A) 117.461 b (A) 120.154 c (A) 118.448 alpha (°) 98.47 beta (°) 94.41 gamma (°) 115.89 Rfactor (%) 18.6 Rfree (%) 22.7 Potassium Binding Sites: Potassium binding site 1 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Potassium in the PDB 3q9c. 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: Asp193, A: Val194, A: Asp195, A: Phe196, A: His197, A: His198, A: Gly199, A: Ser216, A: Leu217, A: His218, A: Hoh347, conact list: Atom Atom Distance (A) K O A:Asp193 2.76 K CB A:Asp193 3.68 K OD2 A:Asp193 4.06 K C A:Asp193 3.47 K OD1 A:Asp193 2.58 K CG A:Asp193 3.22 K CA A:Asp193 4.23 K O A:Val194 4.73 K N A:Val194 4.15 K C A:Val194 4.05 K CA A:Val194 4.31 K O A:Asp195 2.52 K N A:Asp195 3.63 K CB A:Asp195 4.20 K C A:Asp195 3.56 K OD1 A:Asp195 4.97 K CA A:Asp195 4.05 K O A:Phe196 4.67 K N A:Phe196 4.68 K C A:Phe196 4.54 K O A:His197 2.76 K N A:His197 4.56 K C A:His197 3.71 K CA A:His197 4.76 K N A:His198 4.30 K C A:His198 4.46 K CA A:His198 4.10 K N A:Gly199 4.33 K CB A:Ser216 4.02 K OG A:Ser216 2.86 K C A:Ser216 4.41 K CA A:Ser216 4.38 K O A:Leu217 2.65 K N A:Leu217 3.77 K C A:Leu217 3.60 K CA A:Leu217 4.40 K N A:His218 4.42 K CB A:His218 3.87 K ND1 A:His218 4.32 K CG A:His218 4.54 K CA A:His218 4.39 K O A:Hoh347 4.46 interactive model: Potassium binding site 2 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Potassium in the PDB 3q9c. 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: B: His158, B: Asp193, B: Val194, B: Asp195, B: Phe196, B: His197, B: His198, B: Gly199, B: Ser216, B: Leu217, B: His218, B: Hoh350, conact list: Atom Atom Distance (A) K ND1 B:His158 4.90 K CE1 B:His158 4.91 K O B:Asp193 2.92 K CB B:Asp193 3.74 K OD2 B:Asp193 4.08 K C B:Asp193 3.57 K OD1 B:Asp193 2.50 K CG B:Asp193 3.22 K CA B:Asp193 4.30 K O B:Val194 4.78 K N B:Val194 4.24 K C B:Val194 4.12 K CA B:Val194 4.43 K O B:Asp195 2.55 K N B:Asp195 3.67 K CB B:Asp195 4.20 K C B:Asp195 3.54 K OD1 B:Asp195 4.67 K CG B:Asp195 4.98 K CA B:Asp195 4.04 K O B:Phe196 4.68 K N B:Phe196 4.64 K C B:Phe196 4.51 K CA B:Phe196 4.99 K O B:His197 2.67 K N B:His197 4.50 K C B:His197 3.66 K CA B:His197 4.70 K N B:His198 4.31 K C B:His198 4.46 K CA B:His198 4.14 K N B:Gly199 4.30 K CB B:Ser216 4.13 K OG B:Ser216 2.97 K C B:Ser216 4.57 K CA B:Ser216 4.53 K O B:Leu217 2.57 K N B:Leu217 3.91 K C B:Leu217 3.61 K CA B:Leu217 4.50 K N B:His218 4.42 K CB B:His218 3.85 K ND1 B:His218 4.30 K CG B:His218 4.53 K CA B:His218 4.39 K O B:Hoh350 4.69 interactive model: Potassium binding site 3 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Potassium in the PDB 3q9c. 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: C: His158, C: Asp193, C: Val194, C: Asp195, C: Phe196, C: His197, C: His198, C: Gly199, C: Ser216, C: Leu217, C: His218, C: Hoh360, conact list: Atom Atom Distance (A) K ND1 C:His158 4.90 K CE1 C:His158 4.82 K O C:Asp193 2.91 K CB C:Asp193 3.76 K OD2 C:Asp193 4.01 K C C:Asp193 3.48 K OD1 C:Asp193 2.44 K CG C:Asp193 3.19 K CA C:Asp193 4.23 K O C:Val194 4.68 K N C:Val194 4.09 K C C:Val194 4.04 K CA C:Val194 4.34 K O C:Asp195 2.48 K N C:Asp195 3.65 K CB C:Asp195 4.17 K C C:Asp195 3.52 K OD1 C:Asp195 4.70 K CG C:Asp195 5.00 K CA C:Asp195 4.02 K O C:Phe196 4.62 K N C:Phe196 4.65 K C C:Phe196 4.50 K O C:His197 2.76 K N C:His197 4.57 K C C:His197 3.74 K CA C:His197 4.79 K N C:His198 4.37 K C C:His198 4.55 K CA C:His198 4.18 K N C:Gly199 4.40 K CB C:Ser216 4.18 K OG C:Ser216 2.94 K C C:Ser216 4.51 K CA C:Ser216 4.53 K O C:Leu217 2.62 K N C:Leu217 3.92 K C C:Leu217 3.65 K CA C:Leu217 4.50 K N C:His218 4.47 K CB C:His218 3.87 K ND1 C:His218 4.34 K CG C:His218 4.59 K CA C:His218 4.42 K O C:Hoh360 4.73 interactive model: Potassium binding site 4 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Potassium in the PDB 3q9c. 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: D: His158, D: Asp193, D: Val194, D: Asp195, D: Phe196, D: His197, D: His198, D: Gly199, D: Ser216, D: Leu217, D: His218, D: Hoh346, conact list: Atom Atom Distance (A) K ND1 D:His158 4.81 K CE1 D:His158 4.78 K O D:Asp193 2.82 K CB D:Asp193 3.51 K OD2 D:Asp193 4.01 K C D:Asp193 3.44 K OD1 D:Asp193 2.56 K CG D:Asp193 3.14 K CA D:Asp193 4.10 K O D:Val194 4.92 K N D:Val194 4.16 K C D:Val194 4.21 K CA D:Val194 4.47 K O D:Asp195 2.75 K N D:Asp195 3.77 K CB D:Asp195 4.25 K C D:Asp195 3.72 K OD1 D:Asp195 4.93 K CA D:Asp195 4.17 K O D:Phe196 4.92 K N D:Phe196 4.82 K C D:Phe196 4.72 K O D:His197 2.77 K N D:His197 4.68 K C D:His197 3.78 K CA D:His197 4.86 K N D:His198 4.39 K C D:His198 4.45 K CA D:His198 4.16 K N D:Gly199 4.24 K CB D:Ser216 4.03 K OG D:Ser216 2.93 K C D:Ser216 4.55 K CA D:Ser216 4.50 K O D:Leu217 2.77 K N D:Leu217 3.96 K C D:Leu217 3.73 K CA D:Leu217 4.58 K N D:His218 4.51 K CB D:His218 3.94 K ND1 D:His218 4.36 K CG D:His218 4.58 K CA D:His218 4.49 K O D:Hoh346 4.68 interactive model: Potassium binding site 5 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Potassium in the PDB 3q9c. 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: E: Asp193, E: Val194, E: Asp195, E: Phe196, E: His197, E: His198, E: Gly199, E: Ser216, E: Leu217, E: His218, E: Hoh349, conact list: Atom Atom Distance (A) K O E:Asp193 2.98 K CB E:Asp193 3.75 K OD2 E:Asp193 4.04 K C E:Asp193 3.60 K OD1 E:Asp193 2.74 K CG E:Asp193 3.29 K CA E:Asp193 4.31 K O E:Val194 4.79 K N E:Val194 4.29 K C E:Val194 4.19 K CA E:Val194 4.53 K O E:Asp195 2.56 K N E:Asp195 3.78 K CB E:Asp195 4.24 K C E:Asp195 3.61 K OD1 E:Asp195 4.93 K CA E:Asp195 4.11 K O E:Phe196 4.66 K N E:Phe196 4.73 K C E:Phe196 4.55 K O E:His197 2.75 K N E:His197 4.58 K C E:His197 3.70 K CA E:His197 4.76 K N E:His198 4.29 K C E:His198 4.42 K CA E:His198 4.08 K N E:Gly199 4.25 K CB E:Ser216 4.09 K OG E:Ser216 2.87 K C E:Ser216 4.49 K CA E:Ser216 4.50 K O E:Leu217 2.73 K N E:Leu217 3.91 K C E:Leu217 3.61 K CA E:Leu217 4.48 K N E:His218 4.32 K CB E:His218 3.79 K ND1 E:His218 4.34 K CG E:His218 4.51 K CA E:His218 4.29 K O E:Hoh349 4.68 interactive model: Potassium binding site 6 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Potassium in the PDB 3q9c. 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: F: His158, F: Asp193, F: Val194, F: Asp195, F: Phe196, F: His197, F: His198, F: Gly199, F: Ser216, F: Leu217, F: His218, F: Hoh349, conact list: Atom Atom Distance (A) K ND1 F:His158 4.93 K CE1 F:His158 4.88 K O F:Asp193 2.94 K CB F:Asp193 3.76 K OD2 F:Asp193 4.14 K C F:Asp193 3.58 K OD1 F:Asp193 2.56 K CG F:Asp193 3.28 K CA F:Asp193 4.31 K O F:Val194 4.86 K N F:Val194 4.24 K C F:Val194 4.18 K CA F:Val194 4.42 K O F:Asp195 2.60 K N F:Asp195 3.76 K CB F:Asp195 4.35 K C F:Asp195 3.64 K OD1 F:Asp195 4.85 K CA F:Asp195 4.18 K O F:Phe196 4.77 K N F:Phe196 4.72 K C F:Phe196 4.54 K O F:His197 2.59 K N F:His197 4.46 K C F:His197 3.56 K CA F:His197 4.64 K N F:His198 4.15 K C F:His198 4.39 K CA F:His198 4.00 K N F:Gly199 4.19 K CB F:Ser216 4.19 K OG F:Ser216 2.96 K C F:Ser216 4.54 K CA F:Ser216 4.54 K O F:Leu217 2.57 K N F:Leu217 3.88 K C F:Leu217 3.61 K CA F:Leu217 4.48 K N F:His218 4.44 K CB F:His218 3.80 K ND1 F:His218 4.10 K CG F:His218 4.39 K CA F:His218 4.42 K O F:Hoh349 4.93 interactive model: Potassium binding site 7 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Potassium in the PDB 3q9c. 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: G: His158, G: Asp193, G: Val194, G: Asp195, G: Phe196, G: His197, G: His198, G: Gly199, G: Ser216, G: Leu217, G: His218, G: Hoh350, conact list: Atom Atom Distance (A) K ND1 G:His158 4.97 K CE1 G:His158 4.98 K O G:Asp193 3.10 K CB G:Asp193 3.72 K OD2 G:Asp193 4.04 K C G:Asp193 3.55 K OD1 G:Asp193 2.64 K CG G:Asp193 3.25 K CA G:Asp193 4.27 K O G:Val194 4.59 K N G:Val194 4.10 K C G:Val194 4.00 K CA G:Val194 4.30 K O G:Asp195 2.55 K N G:Asp195 3.69 K CB G:Asp195 4.26 K C G:Asp195 3.60 K OD1 G:Asp195 4.97 K CA G:Asp195 4.10 K O G:Phe196 4.65 K N G:Phe196 4.73 K C G:Phe196 4.56 K O G:His197 2.77 K N G:His197 4.62 K C G:His197 3.72 K CA G:His197 4.80 K N G:His198 4.28 K C G:His198 4.43 K CA G:His198 4.04 K N G:Gly199 4.32 K CB G:Ser216 4.29 K OG G:Ser216 3.18 K C G:Ser216 4.53 K CA G:Ser216 4.58 K O G:Leu217 2.54 K N G:Leu217 3.85 K C G:Leu217 3.56 K CA G:Leu217 4.41 K N G:His218 4.38 K CB G:His218 3.83 K ND1 G:His218 4.32 K CG G:His218 4.54 K CA G:His218 4.36 K O G:Hoh350 4.47 interactive model: Potassium binding site 8 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Potassium in the PDB 3q9c. 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: H: His158, H: Asp193, H: Val194, H: Asp195, H: Phe196, H: His197, H: His198, H: Gly199, H: Ser216, H: Leu217, H: His218, H: Hoh365, conact list: Atom Atom Distance (A) K ND1 H:His158 4.84 K CE1 H:His158 4.80 K O H:Asp193 3.03 K CB H:Asp193 3.60 K OD2 H:Asp193 3.97 K C H:Asp193 3.57 K OD1 H:Asp193 2.57 K CG H:Asp193 3.15 K CA H:Asp193 4.22 K O H:Val194 4.72 K N H:Val194 4.24 K C H:Val194 4.13 K CA H:Val194 4.47 K O H:Asp195 2.67 K N H:Asp195 3.74 K CB H:Asp195 4.14 K C H:Asp195 3.61 K OD1 H:Asp195 4.77 K CA H:Asp195 4.07 K O H:Phe196 4.72 K N H:Phe196 4.68 K C H:Phe196 4.52 K O H:His197 2.75 K N H:His197 4.46 K C H:His197 3.62 K CA H:His197 4.65 K N H:His198 4.19 K C H:His198 4.40 K CA H:His198 4.06 K N H:Gly199 4.22 K CB H:Ser216 4.24 K OG H:Ser216 3.08 K C H:Ser216 4.65 K CA H:Ser216 4.65 K O H:Leu217 2.64 K N H:Leu217 3.97 K C H:Leu217 3.63 K CA H:Leu217 4.54 K N H:His218 4.39 K CB H:His218 3.80 K ND1 H:His218 4.25 K CG H:His218 4.47 K CA H:His218 4.35 K O H:Hoh365 4.71 interactive model: Potassium binding site 9 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Potassium in the PDB 3q9c. 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: I: His158, I: Asp193, I: Val194, I: Asp195, I: Phe196, I: His197, I: His198, I: Gly199, I: Ser216, I: Leu217, I: His218, I: Hoh353, conact list: Atom Atom Distance (A) K ND1 I:His158 4.91 K CE1 I:His158 4.87 K O I:Asp193 3.04 K CB I:Asp193 3.76 K OD2 I:Asp193 4.16 K C I:Asp193 3.65 K OD1 I:Asp193 2.58 K CG I:Asp193 3.29 K CA I:Asp193 4.35 K O I:Val194 4.91 K N I:Val194 4.33 K C I:Val194 4.25 K CA I:Val194 4.51 K O I:Asp195 2.68 K N I:Asp195 3.85 K CB I:Asp195 4.36 K C I:Asp195 3.67 K OD1 I:Asp195 4.70 K CA I:Asp195 4.23 K O I:Phe196 4.78 K N I:Phe196 4.71 K C I:Phe196 4.53 K O I:His197 2.62 K N I:His197 4.47 K C I:His197 3.61 K CA I:His197 4.68 K N I:His198 4.21 K C I:His198 4.33 K CA I:His198 4.00 K N I:Gly199 4.20 K CB I:Ser216 4.03 K OG I:Ser216 2.91 K C I:Ser216 4.47 K CA I:Ser216 4.46 K O I:Leu217 2.64 K N I:Leu217 3.91 K C I:Leu217 3.64 K CA I:Leu217 4.51 K N I:His218 4.41 K CB I:His218 3.71 K ND1 I:His218 4.47 K CG I:His218 4.51 K CA I:His218 4.34 K O I:Hoh353 4.73 interactive model: Potassium binding site 10 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Potassium in the PDB 3q9c. 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: J: Asp193, J: Val194, J: Asp195, J: Phe196, J: His197, J: His198, J: Gly199, J: Ser216, J: Leu217, J: His218, J: Hoh359, conact list: Atom Atom Distance (A) K O J:Asp193 2.86 K CB J:Asp193 3.68 K OD2 J:Asp193 4.09 K C J:Asp193 3.52 K OD1 J:Asp193 2.59 K CG J:Asp193 3.24 K CA J:Asp193 4.24 K O J:Val194 4.67 K N J:Val194 4.22 K C J:Val194 4.08 K CA J:Val194 4.43 K O J:Asp195 2.53 K N J:Asp195 3.68 K CB J:Asp195 4.18 K C J:Asp195 3.53 K OD1 J:Asp195 4.74 K CG J:Asp195 4.98 K CA J:Asp195 4.03 K O J:Phe196 4.77 K N J:Phe196 4.65 K C J:Phe196 4.57 K O J:His197 2.84 K N J:His197 4.58 K C J:His197 3.78 K CA J:His197 4.82 K N J:His198 4.36 K C J:His198 4.50 K CA J:His198 4.18 K N J:Gly199 4.39 K CB J:Ser216 4.07 K OG J:Ser216 2.98 K C J:Ser216 4.39 K CA J:Ser216 4.38 K O J:Leu217 2.65 K N J:Leu217 3.81 K C J:Leu217 3.62 K CA J:Leu217 4.45 K N J:His218 4.42 K CB J:His218 3.88 K ND1 J:His218 4.18 K CG J:His218 4.48 K CA J:His218 4.41 K O J:Hoh359 4.57 interactive model: Potassium binding site 11 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 11 of Potassium in the PDB 3q9c. 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: K: His158, K: Asp193, K: Val194, K: Asp195, K: Phe196, K: His197, K: His198, K: Gly199, K: Ser216, K: Leu217, K: His218, K: Hoh370, conact list: Atom Atom Distance (A) K ND1 K:His158 4.93 K CE1 K:His158 4.95 K O K:Asp193 2.97 K CB K:Asp193 3.65 K OD2 K:Asp193 4.08 K C K:Asp193 3.57 K OD1 K:Asp193 2.68 K CG K:Asp193 3.25 K CA K:Asp193 4.24 K O K:Val194 4.84 K N K:Val194 4.27 K C K:Val194 4.23 K CA K:Val194 4.53 K O K:Asp195 2.66 K N K:Asp195 3.84 K CB K:Asp195 4.30 K C K:Asp195 3.68 K OD1 K:Asp195 4.97 K CA K:Asp195 4.19 K O K:Phe196 4.75 K N K:Phe196 4.78 K C K:Phe196 4.59 K O K:His197 2.68 K N K:His197 4.57 K C K:His197 3.60 K CA K:His197 4.71 K N K:His198 4.14 K C K:His198 4.31 K CA K:His198 3.93 K N K:Gly199 4.13 K CB K:Ser216 4.02 K OG K:Ser216 2.81 K C K:Ser216 4.50 K CA K:Ser216 4.49 K O K:Leu217 2.58 K N K:Leu217 3.88 K C K:Leu217 3.62 K CA K:Leu217 4.47 K N K:His218 4.45 K CB K:His218 3.77 K ND1 K:His218 3.92 K CG K:His218 4.29 K CA K:His218 4.44 K O K:Hoh370 4.81 interactive model: Potassium binding site 12 out of 12 in 3q9c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 12 of Potassium in the PDB 3q9c. 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: L: Asp193, L: Val194, L: Asp195, L: Phe196, L: His197, L: His198, L: Gly199, L: Ser216, L: Leu217, L: His218, L: Hoh353, conact list: Atom Atom Distance (A) K O L:Asp193 2.96 K CB L:Asp193 3.53 K OD2 L:Asp193 4.20 K C L:Asp193 3.44 K OD1 L:Asp193 2.68 K CG L:Asp193 3.27 K CA L:Asp193 4.11 K O L:Val194 4.70 K N L:Val194 4.07 K C L:Val194 4.05 K CA L:Val194 4.33 K O L:Asp195 2.69 K N L:Asp195 3.66 K CB L:Asp195 4.13 K C L:Asp195 3.63 K OD1 L:Asp195 4.93 K CA L:Asp195 4.05 K O L:Phe196 4.86 K N L:Phe196 4.74 K C L:Phe196 4.64 K O L:His197 2.80 K N L:His197 4.60 K C L:His197 3.74 K CA L:His197 4.80 K N L:His198 4.33 K C L:His198 4.57 K CA L:His198 4.17 K N L:Gly199 4.42 K CB L:Ser216 4.02 K OG L:Ser216 2.90 K C L:Ser216 4.46 K CA L:Ser216 4.41 K O L:Leu217 2.70 K N L:Leu217 3.80 K C L:Leu217 3.61 K CA L:Leu217 4.43 K N L:His218 4.38 K CB L:His218 3.81 K ND1 L:His218 4.15 K CG L:His218 4.43 K CA L:His218 4.37 K O L:Hoh353 4.66 interactive model: