Calcium in the structure of Rec. Lignin Peroxidase H8 Oxidatively Processed (pdb 1b80)

The binding sites of Calcium atom in the structure of Rec. Lignin Peroxidase H8 Oxidatively Processed (pdb code 1b80). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 1b80 structure was solved by W.BLODIG, A.T.SMITH, W.A.DOYLE, K.PIONTEK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.7 Space group C2221 a (A) 73.480 b (A) 94.930 c (A) 230.130 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17 Rfree (%) 20.8 Calcium Binding Sites: Calcium binding site 1 out of 4 in 1b80 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1b80. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His47, A: Asp48, A: Ser49, A: Ala51, A: Gly65, A: Gly66, A: Ala67, A: Asp68, A: Gly69, A: Ser70, A: Ile71, A: Glu78, A: Hoh459, A: Hoh562, A: Hoh565, conact list: Atom Atom Distance (A) Ca O A:His47 4.89 Ca O A:Asp48 2.52 Ca CB A:Asp48 4.32 Ca OD2 A:Asp48 4.32 Ca C A:Asp48 3.47 Ca OD1 A:Asp48 2.50 Ca CG A:Asp48 3.53 Ca CA A:Asp48 3.84 Ca N A:Ser49 4.60 Ca CA A:Ser49 4.99 Ca O A:Ala51 4.58 Ca CB A:Ala51 4.41 Ca C A:Gly65 4.98 Ca O A:Gly66 2.58 Ca N A:Gly66 4.35 Ca C A:Gly66 3.75 Ca CA A:Gly66 4.50 Ca N A:Ala67 4.68 Ca CA A:Ala67 4.82 Ca N A:Asp68 4.15 Ca CB A:Asp68 4.67 Ca OD2 A:Asp68 3.92 Ca C A:Asp68 4.98 Ca OD1 A:Asp68 2.55 Ca CG A:Asp68 3.51 Ca CA A:Asp68 4.86 Ca N A:Gly69 4.61 Ca C A:Gly69 4.98 Ca N A:Ser70 3.98 Ca CB A:Ser70 3.71 Ca OG A:Ser70 2.58 Ca C A:Ser70 4.87 Ca CA A:Ser70 4.34 Ca N A:Ile71 4.40 Ca OE1 A:Glu78 4.74 Ca OE2 A:Glu78 4.68 Ca O A:Hoh459 2.53 Ca O A:Hoh562 4.29 Ca O A:Hoh565 2.55 interactive model: Calcium binding site 2 out of 4 in 1b80 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 1b80. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ser177, A: Val178, A: Asp194, A: Thr196, A: Pro197, A: Ile199, A: Phe200, A: Asp201, A: Gln203, A: Hoh373, conact list: Atom Atom Distance (A) Ca O A:Ser177 2.48 Ca CB A:Ser177 3.69 Ca OG A:Ser177 2.58 Ca C A:Ser177 3.44 Ca CA A:Ser177 3.71 Ca N A:Val178 4.61 Ca CG1 A:Val178 4.85 Ca CB A:Asp194 4.46 Ca OD2 A:Asp194 2.50 Ca OD1 A:Asp194 2.73 Ca CG A:Asp194 2.99 Ca O A:Thr196 2.45 Ca N A:Thr196 4.29 Ca CB A:Thr196 3.61 Ca CG2 A:Thr196 4.92 Ca OG1 A:Thr196 2.61 Ca C A:Thr196 3.40 Ca CA A:Thr196 3.94 Ca N A:Pro197 4.28 Ca C A:Pro197 4.99 Ca CA A:Pro197 4.52 Ca O A:Ile199 2.53 Ca N A:Ile199 4.41 Ca CB A:Ile199 4.61 Ca C A:Ile199 3.75 Ca CA A:Ile199 4.51 Ca N A:Phe200 4.72 Ca C A:Phe200 4.94 Ca CA A:Phe200 4.79 Ca O A:Asp201 4.56 Ca N A:Asp201 4.12 Ca CB A:Asp201 4.66 Ca OD2 A:Asp201 3.80 Ca C A:Asp201 4.81 Ca OD1 A:Asp201 2.53 Ca CG A:Asp201 3.46 Ca CA A:Asp201 4.74 Ca N A:Gln203 4.97 Ca CB A:Gln203 4.65 Ca O A:Hoh373 4.60 interactive model: Calcium binding site 3 out of 4 in 1b80 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Calcium in the PDB 1b80. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His47, B: Asp48, B: Ser49, B: Ala51, B: Gly66, B: Ala67, B: Asp68, B: Gly69, B: Ser70, B: Ile71, B: Glu78, B: Hoh433, B: Hoh576, B: Hoh577, conact list: Atom Atom Distance (A) Ca O B:His47 4.95 Ca O B:Asp48 2.54 Ca CB B:Asp48 4.24 Ca OD2 B:Asp48 4.24 Ca C B:Asp48 3.47 Ca OD1 B:Asp48 2.46 Ca CG B:Asp48 3.48 Ca CA B:Asp48 3.83 Ca N B:Ser49 4.58 Ca O B:Ala51 4.64 Ca CB B:Ala51 4.67 Ca O B:Gly66 2.55 Ca N B:Gly66 4.35 Ca C B:Gly66 3.71 Ca CA B:Gly66 4.43 Ca N B:Ala67 4.70 Ca CA B:Ala67 4.85 Ca N B:Asp68 4.11 Ca CB B:Asp68 4.69 Ca OD2 B:Asp68 3.95 Ca C B:Asp68 4.93 Ca OD1 B:Asp68 2.51 Ca CG B:Asp68 3.56 Ca CA B:Asp68 4.83 Ca N B:Gly69 4.55 Ca C B:Gly69 4.96 Ca N B:Ser70 3.95 Ca CB B:Ser70 3.61 Ca OG B:Ser70 2.55 Ca C B:Ser70 4.83 Ca CA B:Ser70 4.33 Ca N B:Ile71 4.45 Ca OE1 B:Glu78 4.75 Ca OE2 B:Glu78 4.58 Ca O B:Hoh433 4.22 Ca O B:Hoh576 2.42 Ca O B:Hoh577 2.56 interactive model: Calcium binding site 4 out of 4 in 1b80 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Calcium in the PDB 1b80. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Ser177, B: Val178, B: Asp194, B: Thr196, B: Pro197, B: Ile199, B: Phe200, B: Asp201, B: Gln203, B: Hoh466, conact list: Atom Atom Distance (A) Ca O B:Ser177 2.48 Ca CB B:Ser177 3.68 Ca OG B:Ser177 2.55 Ca C B:Ser177 3.50 Ca CA B:Ser177 3.76 Ca N B:Val178 4.62 Ca CG1 B:Val178 4.81 Ca CB B:Asp194 4.52 Ca OD2 B:Asp194 2.53 Ca OD1 B:Asp194 2.79 Ca CG B:Asp194 3.04 Ca O B:Thr196 2.44 Ca N B:Thr196 4.29 Ca CB B:Thr196 3.57 Ca CG2 B:Thr196 4.84 Ca OG1 B:Thr196 2.56 Ca C B:Thr196 3.33 Ca CA B:Thr196 3.91 Ca N B:Pro197 4.20 Ca C B:Pro197 4.95 Ca CA B:Pro197 4.47 Ca O B:Ile199 2.55 Ca N B:Ile199 4.42 Ca CB B:Ile199 4.57 Ca C B:Ile199 3.75 Ca CA B:Ile199 4.47 Ca N B:Phe200 4.72 Ca C B:Phe200 4.94 Ca CA B:Phe200 4.79 Ca O B:Asp201 4.59 Ca N B:Asp201 4.14 Ca CB B:Asp201 4.60 Ca OD2 B:Asp201 3.79 Ca C B:Asp201 4.85 Ca OD1 B:Asp201 2.50 Ca CG B:Asp201 3.41 Ca CA B:Asp201 4.79 Ca N B:Gln203 4.96 Ca CB B:Gln203 4.69 Ca O B:Hoh466 4.55 interactive model: