Calcium in the structure of Structure of the FAMILY43 Beta-Xylosidase D15G Mutant From Geobacillus Stearothermophilus (pdb 2exi)

The binding sites of Calcium atom in the structure of Structure of the FAMILY43 Beta-Xylosidase D15G Mutant From Geobacillus Stearothermophilus (pdb code 2exi). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 2exi structure was solved by C.BRUX, K.NIEFIND, D.SHALLOM-SHEZIFI, Y.SHOHAM, D.SCHOMBURG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.1 Space group P43212 a (A) 140.175 b (A) 140.175 c (A) 232.322 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.9 Rfree (%) 27.6 Calcium Binding Sites: Calcium binding site 1 out of 4 in 2exi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 2exi. 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: Asp333, A: Phe334, A: Asp335, A: Gly362, A: His363, A: Asp528, A: Tyr529, A: Hoh3086, A: Hoh3128, A: Hoh3132, conact list: Atom Atom Distance (A) Ca O A:Asp333 2.51 Ca CB A:Asp333 3.97 Ca OD2 A:Asp333 4.99 Ca C A:Asp333 3.55 Ca OD1 A:Asp333 2.87 Ca CG A:Asp333 3.81 Ca CA A:Asp333 4.00 Ca O A:Phe334 4.90 Ca N A:Phe334 4.69 Ca CB A:Phe334 4.88 Ca OD1 A:Asp335 4.80 Ca O A:Gly362 2.21 Ca C A:Gly362 3.29 Ca CA A:Gly362 3.80 Ca N A:His363 4.45 Ca ND1 A:His363 4.84 Ca CE1 A:His363 4.92 Ca CA A:His363 4.87 Ca O A:Asp528 2.53 Ca CB A:Asp528 4.37 Ca OD2 A:Asp528 2.50 Ca C A:Asp528 3.51 Ca OD1 A:Asp528 4.34 Ca CG A:Asp528 3.54 Ca CA A:Asp528 3.98 Ca N A:Tyr529 4.65 Ca O A:Hoh3086 2.60 Ca O A:Hoh3128 2.38 Ca O A:Hoh3132 4.66 interactive model: Calcium binding site 2 out of 4 in 2exi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 2exi. 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: Asp333, B: Phe334, B: Asp335, B: Gly362, B: His363, B: Asp528, B: Tyr529, B: Hoh3065, B: Hoh3172, B: Hoh3504, B: Hoh3544, conact list: Atom Atom Distance (A) Ca O B:Asp333 2.37 Ca CB B:Asp333 3.95 Ca C B:Asp333 3.38 Ca OD1 B:Asp333 4.36 Ca CG B:Asp333 4.63 Ca CA B:Asp333 3.81 Ca N B:Phe334 4.55 Ca CB B:Phe334 4.79 Ca OD1 B:Asp335 4.66 Ca O B:Gly362 2.27 Ca C B:Gly362 3.33 Ca CA B:Gly362 3.79 Ca N B:His363 4.51 Ca ND1 B:His363 4.91 Ca CE1 B:His363 4.99 Ca CA B:His363 4.95 Ca O B:Asp528 2.40 Ca CB B:Asp528 4.32 Ca OD2 B:Asp528 2.32 Ca C B:Asp528 3.42 Ca OD1 B:Asp528 4.42 Ca CG B:Asp528 3.51 Ca CA B:Asp528 3.95 Ca N B:Tyr529 4.55 Ca CB B:Tyr529 4.86 Ca CA B:Tyr529 4.93 Ca O B:Hoh3065 2.72 Ca O B:Hoh3172 2.82 Ca O B:Hoh3504 2.15 Ca O B:Hoh3544 4.41 interactive model: Calcium binding site 3 out of 4 in 2exi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Calcium in the PDB 2exi. 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: C: Asp333, C: Phe334, C: Asp335, C: Gly362, C: His363, C: Asp528, C: Tyr529, C: Hoh3069, C: Hoh3137, C: Hoh3355, conact list: Atom Atom Distance (A) Ca O C:Asp333 2.39 Ca CB C:Asp333 3.80 Ca OD2 C:Asp333 2.85 Ca C C:Asp333 3.34 Ca OD1 C:Asp333 4.93 Ca CG C:Asp333 3.74 Ca CA C:Asp333 3.72 Ca N C:Phe334 4.52 Ca CB C:Phe334 4.89 Ca OD1 C:Asp335 4.65 Ca O C:Gly362 2.40 Ca C C:Gly362 3.45 Ca CA C:Gly362 3.91 Ca N C:His363 4.60 Ca O C:Asp528 2.48 Ca CB C:Asp528 4.36 Ca OD2 C:Asp528 2.82 Ca C C:Asp528 3.45 Ca OD1 C:Asp528 4.24 Ca CG C:Asp528 3.59 Ca CA C:Asp528 3.92 Ca N C:Tyr529 4.56 Ca CB C:Tyr529 4.94 Ca CA C:Tyr529 4.98 Ca O C:Hoh3069 3.00 Ca O C:Hoh3137 2.49 Ca O C:Hoh3355 2.61 interactive model: Calcium binding site 4 out of 4 in 2exi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Calcium in the PDB 2exi. 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: D: Asp333, D: Phe334, D: Asp335, D: Gly362, D: His363, D: Asp528, D: Tyr529, D: Hoh3192, D: Hoh3370, D: Hoh3416, D: Hoh3443, D: Hoh3482, conact list: Atom Atom Distance (A) Ca O D:Asp333 2.30 Ca CB D:Asp333 4.05 Ca C D:Asp333 3.39 Ca OD1 D:Asp333 3.87 Ca CG D:Asp333 4.45 Ca CA D:Asp333 3.92 Ca N D:Phe334 4.54 Ca CB D:Phe334 4.74 Ca CA D:Phe334 4.98 Ca OD1 D:Asp335 4.37 Ca O D:Gly362 2.31 Ca C D:Gly362 3.36 Ca CA D:Gly362 3.82 Ca N D:His363 4.54 Ca CA D:His363 4.95 Ca O D:Asp528 2.33 Ca CB D:Asp528 4.24 Ca OD2 D:Asp528 4.32 Ca C D:Asp528 3.38 Ca OD1 D:Asp528 2.28 Ca CG D:Asp528 3.43 Ca CA D:Asp528 3.88 Ca N D:Tyr529 4.53 Ca CB D:Tyr529 4.84 Ca CA D:Tyr529 4.93 Ca O D:Hoh3192 2.76 Ca O D:Hoh3370 4.22 Ca O D:Hoh3416 4.80 Ca O D:Hoh3443 4.56 Ca O D:Hoh3482 2.64 interactive model: