Potassium in the structure of Crystal Structures Of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase (pdb 2b1i)

The binding sites of Potassium atom in the structure of Crystal Structures Of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase (pdb code 2b1i). This binding sites where shown with 5.0 Angstroms radius around Potassium atom. The 2b1i structure was solved by L.XU, Y.CHONG, I.HWANG, A.D'ONOFRIO, K.AMORE, G.P.BEARDSLEY, C.LI, A.J.OLSON, D.L.BOGER, I.A.WILSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 38.1-2.0 Space group P1211 a (A) 56.000 b (A) 106.500 c (A) 101.000 alpha (°) 90.00 beta (°) 91.50 gamma (°) 90.00 Rfactor (%) 19.8 Rfree (%) 24.9 Potassium Binding Sites: Potassium binding site 1 out of 2 in 2b1i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Potassium in the PDB 2b1i. 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: Val426, A: Lys427, A: Thr429, A: Gln430, A: Ser431, A: Ser433, A: Asp540, A: Leu590, A: Phe591, A: His592, conact list: Atom Atom Distance (A) K O A:Val426 2.64 K C A:Val426 3.78 K CG1 A:Val426 4.29 K CA A:Val426 4.68 K O A:Lys427 4.49 K N A:Lys427 4.64 K C A:Lys427 4.56 K CA A:Lys427 4.70 K O A:Thr429 2.59 K N A:Thr429 4.18 K CB A:Thr429 4.84 K OG1 A:Thr429 4.38 K C A:Thr429 3.77 K CA A:Thr429 4.42 K O A:Gln430 4.71 K N A:Gln430 4.81 K C A:Gln430 4.48 K N A:Ser431 4.36 K CB A:Ser431 4.07 K OG A:Ser431 2.74 K CA A:Ser431 4.34 K N A:Ser433 4.74 K CB A:Ser433 3.94 K OG A:Ser433 3.00 K CA A:Ser433 4.95 K CB A:Asp540 3.75 K OD2 A:Asp540 2.91 K OD1 A:Asp540 4.93 K CG A:Asp540 3.77 K O A:Leu590 2.61 K CB A:Leu590 4.76 K C A:Leu590 3.76 K CA A:Leu590 4.89 K O A:Phe591 4.75 K N A:Phe591 4.38 K C A:Phe591 3.97 K CA A:Phe591 4.02 K O A:His592 4.74 K N A:His592 3.62 K CB A:His592 3.65 K CG A:His592 4.88 K CA A:His592 4.26 interactive model: Potassium binding site 2 out of 2 in 2b1i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Potassium in the PDB 2b1i. 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: Val426, B: Lys427, B: Tyr428, B: Thr429, B: Gln430, B: Ser431, B: Ser433, B: Asp540, B: Leu590, B: Phe591, B: His592, conact list: Atom Atom Distance (A) K O B:Val426 2.47 K C B:Val426 3.66 K CG1 B:Val426 4.21 K CA B:Val426 4.54 K O B:Lys427 4.49 K N B:Lys427 4.54 K C B:Lys427 4.43 K CA B:Lys427 4.59 K N B:Tyr428 4.84 K O B:Thr429 2.66 K N B:Thr429 4.07 K CB B:Thr429 4.39 K C B:Thr429 3.80 K CA B:Thr429 4.36 K O B:Gln430 4.80 K N B:Gln430 4.87 K C B:Gln430 4.50 K N B:Ser431 4.23 K CB B:Ser431 4.15 K OG B:Ser431 2.89 K CA B:Ser431 4.33 K N B:Ser433 4.86 K CB B:Ser433 4.12 K OG B:Ser433 2.82 K CB B:Asp540 3.78 K OD2 B:Asp540 3.09 K CG B:Asp540 3.89 K O B:Leu590 2.70 K CB B:Leu590 4.84 K C B:Leu590 3.86 K CA B:Leu590 4.99 K O B:Phe591 4.84 K N B:Phe591 4.49 K C B:Phe591 4.08 K CA B:Phe591 4.17 K O B:His592 4.86 K N B:His592 3.73 K CB B:His592 3.58 K CG B:His592 4.76 K CA B:His592 4.32 interactive model: