Praseodymium in the structure of Xanthomonas Campestris Putative Ogt (XCC0866), Apostructure (pdb 2vsy)

The binding sites of Praseodymium atom in the structure of Xanthomonas Campestris Putative Ogt (XCC0866), Apostructure (pdb code 2vsy). This binding sites where shown with 5.0 Angstroms radius around Praseodymium atom. The 2vsy structure was solved by A.W.SCHUETTELKOPF, A.J.CLARKE, D.M.F.VAN AALTEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.1 Space group P212121 a (A) 81.523 b (A) 100.096 c (A) 156.274 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.3 Rfree (%) 23.6 Praseodymium Binding Sites: Praseodymium binding site 1 out of 3 in 2vsy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Praseodymium in the PDB 2vsy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Praseodymium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu364, A: Hoh2005, A: Hoh2021, A: Hoh2096, conact list: Atom Atom Distance (A) Pr OE1 A:Glu364 3.01 Pr OE2 A:Glu364 2.66 Pr CD A:Glu364 3.19 Pr CG A:Glu364 4.69 Pr O A:Hoh2005 2.94 Pr O A:Hoh2021 2.98 Pr O A:Hoh2096 2.95 interactive model: Praseodymium binding site 2 out of 3 in 2vsy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Praseodymium in the PDB 2vsy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Praseodymium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Arg368, A: Asp455, A: Peg1570, A: Hoh2153, conact list: Atom Atom Distance (A) Pr NH2 A:Arg368 4.26 Pr CB A:Asp455 4.97 Pr OD2 A:Asp455 3.93 Pr OD1 A:Asp455 2.67 Pr CG A:Asp455 3.65 Pr O2 A:Peg1570 2.48 Pr C4 A:Peg1570 4.05 Pr C1 A:Peg1570 3.42 Pr O1 A:Peg1570 3.49 Pr C3 A:Peg1570 3.66 Pr O4 A:Peg1570 3.82 Pr C2 A:Peg1570 3.46 Pr O A:Hoh2153 2.50 interactive model: Praseodymium binding site 3 out of 3 in 2vsy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Praseodymium in the PDB 2vsy. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Praseodymium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Gly476, B: His530, B: Asp534, B: Hoh2028, B: Hoh2141, B: Hoh2142, B: Hoh2156, conact list: Atom Atom Distance (A) Pr O B:Gly476 4.65 Pr CB B:His530 4.34 Pr ND1 B:His530 3.56 Pr CE1 B:His530 4.52 Pr CG B:His530 4.37 Pr OD2 B:Asp534 4.78 Pr O B:Hoh2028 3.09 Pr O B:Hoh2141 2.63 Pr O B:Hoh2142 3.47 Pr O B:Hoh2156 2.89 interactive model: