Calcium in the structure of Crystal Structure of Sure Protein From T.Maritima in Complex With Vanadate (pdb 1j9l)

The binding sites of Calcium atom in the structure of Crystal Structure of Sure Protein From T.Maritima in Complex With Vanadate (pdb code 1j9l). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 1j9l structure was solved by S.W.SUH, J.Y.LEE, J.E.KWAK, J.MOON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 17.7-1.9 Space group P3121 a (A) 114.724 b (A) 114.724 c (A) 77.543 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.9 Rfree (%) 24.1 Calcium Binding Sites: Calcium binding site 1 out of 3 in 1j9l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1j9l. 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: Asp8, A: Asp9, A: Glu37, A: Ser39, A: Asn95, A: Arg96, A: Thr109, A: Vo4401, A: Hoh1365, A: Hoh1367, conact list: Atom Atom Distance (A) Ca O A:Asp8 4.96 Ca CB A:Asp8 4.79 Ca OD2 A:Asp8 2.50 Ca C A:Asp8 4.66 Ca OD1 A:Asp8 3.53 Ca CG A:Asp8 3.37 Ca N A:Asp9 4.41 Ca CB A:Asp9 4.21 Ca OD2 A:Asp9 2.78 Ca OD1 A:Asp9 2.44 Ca CG A:Asp9 2.85 Ca CA A:Asp9 4.53 Ca OE2 A:Glu37 4.48 Ca CB A:Ser39 3.74 Ca OG A:Ser39 2.54 Ca CA A:Ser39 4.51 Ca CB A:Asn95 4.60 Ca ND2 A:Asn95 3.84 Ca OD1 A:Asn95 2.21 Ca CG A:Asn95 3.32 Ca O A:Arg96 4.64 Ca N A:Arg96 4.67 Ca OG1 A:Thr109 4.59 Ca O1 A:Vo4401 4.83 Ca O2 A:Vo4401 4.49 Ca O4 A:Vo4401 2.38 Ca O3 A:Vo4401 4.39 Ca V A:Vo4401 3.92 Ca O A:Hoh1365 4.36 Ca O A:Hoh1367 2.57 interactive model: Calcium binding site 2 out of 3 in 1j9l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 1j9l. 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: Trp183, A: Asn184, A: Asp185, A: Hoh1351, A: Hoh1352, A: Hoh1353, A: Hoh1354, A: Hoh1355, A: Hoh1413, A: Hoh1414, conact list: Atom Atom Distance (A) Ca N A:Trp183 4.26 Ca CB A:Trp183 4.63 Ca C A:Trp183 3.41 Ca CA A:Trp183 4.24 Ca O A:Trp183 2.23 Ca N A:Asn184 4.38 Ca C A:Asn184 4.74 Ca CA A:Asn184 4.54 Ca N A:Asp185 3.93 Ca CB A:Asp185 4.55 Ca OD2 A:Asp185 2.29 Ca OD1 A:Asp185 3.99 Ca CG A:Asp185 3.42 Ca CA A:Asp185 4.81 Ca O A:Hoh1351 4.46 Ca O A:Hoh1352 2.65 Ca O A:Hoh1353 4.15 Ca O A:Hoh1354 2.77 Ca O A:Hoh1355 2.38 Ca O A:Hoh1413 2.37 Ca O A:Hoh1414 2.39 interactive model: Calcium binding site 3 out of 3 in 1j9l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Calcium in the PDB 1j9l. 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: Asp8, B: Asp9, B: Ser39, B: Asn95, B: Arg96, B: Thr109, B: Vo41401, B: Hoh1402, B: Hoh1405, conact list: Atom Atom Distance (A) Ca O B:Asp8 4.89 Ca CB B:Asp8 4.71 Ca OD2 B:Asp8 3.20 Ca C B:Asp8 4.72 Ca OD1 B:Asp8 2.51 Ca CG B:Asp8 3.23 Ca N B:Asp9 4.65 Ca CB B:Asp9 4.44 Ca OD2 B:Asp9 2.22 Ca OD1 B:Asp9 3.24 Ca CG B:Asp9 3.06 Ca CA B:Asp9 4.78 Ca CB B:Ser39 3.77 Ca OG B:Ser39 2.62 Ca CA B:Ser39 4.56 Ca CB B:Asn95 4.67 Ca ND2 B:Asn95 3.93 Ca OD1 B:Asn95 2.28 Ca CG B:Asn95 3.40 Ca O B:Arg96 4.47 Ca N B:Arg96 4.67 Ca OG1 B:Thr109 4.47 Ca O1 B:Vo41401 4.45 Ca O2 B:Vo41401 4.53 Ca O4 B:Vo41401 2.25 Ca O3 B:Vo41401 4.02 Ca V B:Vo41401 3.69 Ca O B:Hoh1402 2.24 Ca O B:Hoh1405 4.39 interactive model: