Calcium in the structure of CPGH89CBM32-6 Produced By Clostridium Perfringens (pdb 4a42)

The binding sites of Calcium atom in the structure of CPGH89CBM32-6 Produced By Clostridium Perfringens (pdb code 4a42). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 4a42 structure was solved by E.FICKO-BLEAN, C.P.STUART, M.D.SUITS, M.CID, M.TESSIER, R.J.WOODS, A.B.BORASTON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 28.2-1.6 Space group P43 a (A) 48.810 b (A) 48.810 c (A) 98.180 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.66 Rfree (%) 23.87 Calcium Binding Sites: Calcium binding site 1 out of 2 in 4a42 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 4a42. 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: Asn1517, A: Leu1518, A: Arg1519, A: Asp1520, A: Gly1521, A: Asn1522, A: Glu1523, A: Asn1524, A: Thr1525, A: Leu1526, A: Gly1614, A: Glu1615, conact list: Atom Atom Distance (A) Ca O A:Asn1517 2.31 Ca CB A:Asn1517 4.39 Ca C A:Asn1517 3.44 Ca CA A:Asn1517 4.07 Ca N A:Leu1518 4.52 Ca C A:Leu1518 4.75 Ca CA A:Leu1518 4.77 Ca N A:Arg1519 4.91 Ca N A:Asp1520 4.53 Ca CB A:Asp1520 4.73 Ca OD2 A:Asp1520 3.82 Ca OD1 A:Asp1520 2.45 Ca CG A:Asp1520 3.46 Ca CA A:Asp1520 5.00 Ca N A:Gly1521 4.85 Ca O A:Asn1522 2.32 Ca N A:Asn1522 4.02 Ca CB A:Asn1522 4.41 Ca C A:Asn1522 3.43 Ca CA A:Asn1522 4.17 Ca O A:Glu1523 4.97 Ca N A:Glu1523 4.40 Ca C A:Glu1523 4.61 Ca CA A:Glu1523 4.49 Ca N A:Asn1524 4.90 Ca O A:Thr1525 2.60 Ca N A:Thr1525 3.97 Ca CB A:Thr1525 3.75 Ca CG2 A:Thr1525 4.86 Ca OG1 A:Thr1525 2.52 Ca C A:Thr1525 3.60 Ca CA A:Thr1525 4.00 Ca N A:Leu1526 4.78 Ca O A:Gly1614 2.32 Ca C A:Gly1614 3.54 Ca CA A:Gly1614 4.46 Ca N A:Glu1615 4.42 Ca OE1 A:Glu1615 2.50 Ca CB A:Glu1615 4.37 Ca OE2 A:Glu1615 4.56 Ca CD A:Glu1615 3.74 Ca CG A:Glu1615 4.66 Ca CA A:Glu1615 4.40 interactive model: Calcium binding site 2 out of 2 in 4a42 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 4a42. 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: Asn1517, B: Leu1518, B: Asp1520, B: Gly1521, B: Asn1522, B: Glu1523, B: Asn1524, B: Thr1525, B: Leu1526, B: Gly1614, B: Glu1615, conact list: Atom Atom Distance (A) Ca O B:Asn1517 2.33 Ca CB B:Asn1517 4.41 Ca C B:Asn1517 3.47 Ca CA B:Asn1517 4.15 Ca O B:Leu1518 4.92 Ca N B:Leu1518 4.54 Ca C B:Leu1518 4.75 Ca CA B:Leu1518 4.83 Ca N B:Asp1520 4.54 Ca CB B:Asp1520 4.74 Ca OD2 B:Asp1520 3.77 Ca OD1 B:Asp1520 2.48 Ca CG B:Asp1520 3.43 Ca N B:Gly1521 4.89 Ca O B:Asn1522 2.31 Ca N B:Asn1522 4.03 Ca CB B:Asn1522 4.41 Ca C B:Asn1522 3.44 Ca CA B:Asn1522 4.20 Ca O B:Glu1523 4.89 Ca N B:Glu1523 4.44 Ca C B:Glu1523 4.61 Ca CA B:Glu1523 4.58 Ca N B:Asn1524 4.98 Ca O B:Thr1525 2.53 Ca N B:Thr1525 3.94 Ca CB B:Thr1525 3.67 Ca CG2 B:Thr1525 4.76 Ca OG1 B:Thr1525 2.43 Ca C B:Thr1525 3.49 Ca CA B:Thr1525 3.90 Ca N B:Leu1526 4.64 Ca O B:Gly1614 2.39 Ca C B:Gly1614 3.59 Ca CA B:Gly1614 4.52 Ca N B:Glu1615 4.45 Ca OE1 B:Glu1615 2.52 Ca CB B:Glu1615 4.36 Ca OE2 B:Glu1615 4.57 Ca CD B:Glu1615 3.76 Ca CG B:Glu1615 4.68 Ca CA B:Glu1615 4.38 interactive model: