Manganese in the structure of Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex With Cytidine (pdb 3ive)

The binding sites of Manganese atom in the structure of Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex With Cytidine (pdb code 3ive). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3ive structure was solved by U.A.RAMAGOPAL, R.TORO, S.K.BURLEY, S.C.ALMO, NEW YORK SGXRESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-1.7 Space group C121 a (A) 156.261 b (A) 77.453 c (A) 47.518 alpha (°) 90.00 beta (°) 103.83 gamma (°) 90.00 Rfactor (%) 16.5 Rfree (%) 19 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3ive Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3ive. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp32, A: His34, A: Asp79, A: His112, A: His212, A: His251, A: His253, A: Arg375, A: Fe602, A: Ctn603, A: So4604, conact list: Atom Atom Distance (A) Mn CB A:Asp32 3.69 Mn OD2 A:Asp32 4.20 Mn OD1 A:Asp32 2.19 Mn CG A:Asp32 3.19 Mn CA A:Asp32 4.41 Mn NE2 A:His34 2.18 Mn ND1 A:His34 4.24 Mn CD2 A:His34 3.23 Mn CE1 A:His34 3.09 Mn CG A:His34 4.34 Mn CB A:Asp79 3.47 Mn OD2 A:Asp79 2.35 Mn OD1 A:Asp79 4.45 Mn CG A:Asp79 3.27 Mn CA A:Asp79 4.96 Mn NE2 A:His112 4.62 Mn CD2 A:His112 4.15 Mn NE2 A:His212 4.68 Mn CE1 A:His212 4.64 Mn O A:His251 4.21 Mn C A:His251 4.75 Mn CA A:His251 4.57 Mn NE2 A:His253 2.31 Mn ND1 A:His253 4.39 Mn CD2 A:His253 3.31 Mn CE1 A:His253 3.25 Mn CG A:His253 4.45 Mn NH2 A:Arg375 4.42 Mn FE A:Fe602 3.52 Mn O5' A:Ctn603 4.71 Mn S A:So4604 2.70 Mn O1 A:So4604 3.88 Mn O2 A:So4604 3.46 Mn O4 A:So4604 2.15 Mn O3 A:So4604 2.09 interactive model: