Calcium in the structure of Uncomplexed Actin (pdb 1j6z)

The binding sites of Calcium atom in the structure of Uncomplexed Actin (pdb code 1j6z). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 1j6z structure was solved by L.R.OTTERBEIN, P.GRACEFFA, R.DOMINGUEZ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 82.0-1.5 Space group C121 a (A) 112.808 b (A) 37.498 c (A) 85.261 alpha (°) 90.00 beta (°) 108.26 gamma (°) 90.00 Rfactor (%) 17.9 Rfree (%) 22.3 Calcium Binding Sites: Calcium binding site 1 out of 6 in 1j6z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1j6z. 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: Asp11, A: Gly13, A: Ser14, A: Lys18, A: Gln137, A: Asp154, A: Val339, A: Adp1380, A: Hoh1385, A: Hoh1387, A: Hoh1388, A: Hoh1389, A: Hoh1390, A: Hoh1392, A: Hoh1395, A: Hoh1398, A: Hoh1408, conact list: Atom Atom Distance (A) Ca OD2 A:Asp11 4.68 Ca OD1 A:Asp11 4.64 Ca CA A:Gly13 4.25 Ca N A:Ser14 4.82 Ca NZ A:Lys18 4.42 Ca NE2 A:Gln137 4.96 Ca OE1 A:Gln137 4.24 Ca CD A:Gln137 4.53 Ca OD2 A:Asp154 4.46 Ca OD1 A:Asp154 4.40 Ca CG A:Asp154 4.87 Ca CG2 A:Val339 4.94 Ca O3B A:Adp1380 3.78 Ca PA A:Adp1380 4.87 Ca O1B A:Adp1380 2.43 Ca PB A:Adp1380 3.57 Ca O2B A:Adp1380 4.68 Ca O3A A:Adp1380 4.37 Ca O1A A:Adp1380 4.41 Ca O A:Hoh1385 2.40 Ca O A:Hoh1387 2.43 Ca O A:Hoh1388 2.45 Ca O A:Hoh1389 4.57 Ca O A:Hoh1390 2.36 Ca O A:Hoh1392 2.87 Ca O A:Hoh1395 4.40 Ca O A:Hoh1398 2.42 Ca O A:Hoh1408 4.75 interactive model: Calcium binding site 2 out of 6 in 1j6z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 1j6z. 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: Ser199, A: Glu205, A: Hoh1473, A: Hoh1504, A: Hoh1513, A: Hoh1530, A: Hoh1551, A: Hoh1664, A: Hoh1717, conact list: Atom Atom Distance (A) Ca O A:Ser199 4.17 Ca CB A:Ser199 4.87 Ca OG A:Ser199 4.80 Ca OE1 A:Glu205 3.72 Ca OE2 A:Glu205 2.72 Ca CD A:Glu205 3.59 Ca CG A:Glu205 4.90 Ca O A:Hoh1473 4.62 Ca O A:Hoh1504 2.54 Ca O A:Hoh1513 4.37 Ca O A:Hoh1530 2.51 Ca O A:Hoh1551 3.02 Ca O A:Hoh1664 2.89 Ca O A:Hoh1717 4.20 interactive model: Calcium binding site 3 out of 6 in 1j6z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Calcium in the PDB 1j6z. 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: Gln354, A: Met355, A: Trp356, A: Ile357, A: Thr358, A: Glu361, A: Hoh1422, A: Hoh1476, A: Hoh1520, A: Hoh1528, A: Hoh1545, A: Hoh1725, conact list: Atom Atom Distance (A) Ca O A:Gln354 2.61 Ca OE1 A:Gln354 4.60 Ca CB A:Gln354 4.84 Ca C A:Gln354 3.73 Ca CA A:Gln354 4.34 Ca O A:Met355 4.61 Ca N A:Met355 4.62 Ca C A:Met355 4.38 Ca CA A:Met355 4.72 Ca N A:Trp356 4.42 Ca C A:Trp356 3.76 Ca CA A:Trp356 4.71 Ca O A:Trp356 2.56 Ca N A:Ile357 4.48 Ca CA A:Ile357 4.39 Ca N A:Thr358 4.65 Ca CG2 A:Thr358 4.83 Ca OE1 A:Glu361 2.83 Ca OE2 A:Glu361 2.77 Ca CD A:Glu361 3.14 Ca CG A:Glu361 4.63 Ca O A:Hoh1422 4.65 Ca O A:Hoh1476 2.71 Ca O A:Hoh1520 2.87 Ca O A:Hoh1528 2.67 Ca O A:Hoh1545 4.47 Ca O A:Hoh1725 4.77 interactive model: Calcium binding site 4 out of 6 in 1j6z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Calcium in the PDB 1j6z. 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: Asp222, A: Glu224, A: Asn225, A: Hoh1486, A: Hoh1500, A: Hoh1678, A: Hoh1744, A: Hoh1775, conact list: Atom Atom Distance (A) Ca CB A:Asp222 4.70 Ca OD2 A:Asp222 2.89 Ca OD1 A:Asp222 2.86 Ca CG A:Asp222 3.23 Ca N A:Glu224 4.27 Ca OE1 A:Glu224 2.82 Ca CB A:Glu224 3.85 Ca OE2 A:Glu224 4.48 Ca CD A:Glu224 3.58 Ca CG A:Glu224 4.01 Ca CA A:Glu224 4.61 Ca N A:Asn225 4.91 Ca OD1 A:Asn225 4.74 Ca O A:Hoh1486 2.49 Ca O A:Hoh1500 4.68 Ca O A:Hoh1678 4.66 Ca O A:Hoh1744 2.67 Ca O A:Hoh1775 2.76 interactive model: Calcium binding site 5 out of 6 in 1j6z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Calcium in the PDB 1j6z. 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: Val30, A: Phe31, A: Asp56, A: Glu93, A: Hoh1434, A: Hoh1480, A: Hoh1745, A: Hoh1773, A: Hoh1774, conact list: Atom Atom Distance (A) Ca O A:Val30 2.70 Ca N A:Val30 4.43 Ca CB A:Val30 4.99 Ca C A:Val30 3.86 Ca CA A:Val30 4.64 Ca N A:Phe31 4.66 Ca CB A:Phe31 4.59 Ca CA A:Phe31 4.56 Ca OD2 A:Asp56 4.43 Ca OE1 A:Glu93 4.79 Ca O A:Hoh1434 4.95 Ca O A:Hoh1480 2.78 Ca O A:Hoh1745 2.77 Ca O A:Hoh1773 2.56 Ca O A:Hoh1774 2.21 interactive model: Calcium binding site 6 out of 6 in 1j6z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Calcium in the PDB 1j6z. 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: Gly268, A: Met269, A: Glu270, A: Hoh1548, A: Hoh1606, A: Hoh1760, conact list: Atom Atom Distance (A) Ca O A:Gly268 2.50 Ca C A:Gly268 3.68 Ca CA A:Gly268 4.40 Ca N A:Met269 4.66 Ca CA A:Met269 4.79 Ca OE1 A:Glu270 3.56 Ca OE2 A:Glu270 3.35 Ca CD A:Glu270 3.87 Ca O A:Hoh1548 4.64 Ca O A:Hoh1606 4.59 Ca O A:Hoh1760 1.80 interactive model: