Manganese in the structure of Structure of Bacillus Anthracis Cofactor-Independent Phosphoglucerate Mutase (pdb 2ify)

The binding sites of Manganese atom in the structure of Structure of Bacillus Anthracis Cofactor-Independent Phosphoglucerate Mutase (pdb code 2ify). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2ify structure was solved by M.NUKUI, J.E.LITTLEJOHN, M.J.JEDRZEJAS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 37.4-2.4 Space group P212121 a (A) 43.620 b (A) 72.737 c (A) 185.176 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 24.5 Rfree (%) 29.8 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2ify Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2ify. 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: Ser61, A: Lys335, A: Asp402, A: His406, A: His444, A: Asn446, A: His461, A: Mn701, A: Hoh716, A: Hoh819, conact list: Atom Atom Distance (A) Mn OG A:Ser61 4.00 Mn NZ A:Lys335 4.08 Mn O A:Asp402 4.78 Mn CB A:Asp402 4.46 Mn OD2 A:Asp402 2.34 Mn OD1 A:Asp402 2.98 Mn CG A:Asp402 3.00 Mn NE2 A:His406 2.41 Mn ND1 A:His406 4.48 Mn CD2 A:His406 3.38 Mn CE1 A:His406 3.35 Mn CG A:His406 4.53 Mn NE2 A:His444 4.50 Mn CE1 A:His444 4.39 Mn OD1 A:Asn446 4.68 Mn NE2 A:His461 2.19 Mn ND1 A:His461 4.23 Mn CD2 A:His461 3.25 Mn CE1 A:His461 3.08 Mn CG A:His461 4.34 Mn MN A:Mn701 4.99 Mn O A:Hoh716 2.88 Mn O A:Hoh819 4.51 interactive model: Manganese binding site 2 out of 2 in 2ify Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2ify. 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: Asp11, A: Gly12, A: Asn60, A: Ser61, A: His65, A: Lys335, A: Asp402, A: Asp443, A: His444, A: Mn601, conact list: Atom Atom Distance (A) Mn CB A:Asp11 4.30 Mn OD2 A:Asp11 2.93 Mn C A:Asp11 4.85 Mn OD1 A:Asp11 2.30 Mn CG A:Asp11 2.91 Mn CA A:Asp11 4.64 Mn N A:Gly12 4.66 Mn O A:Asn60 4.80 Mn C A:Asn60 4.36 Mn O A:Ser61 4.83 Mn N A:Ser61 3.57 Mn CB A:Ser61 3.05 Mn OG A:Ser61 2.46 Mn C A:Ser61 4.49 Mn CA A:Ser61 3.13 Mn NE2 A:His65 4.49 Mn CD2 A:His65 4.72 Mn CE A:Lys335 4.57 Mn CD A:Lys335 4.89 Mn NZ A:Lys335 3.82 Mn CB A:Asp402 4.66 Mn OD2 A:Asp402 4.11 Mn OD1 A:Asp402 4.26 Mn CG A:Asp402 4.11 Mn CB A:Asp443 4.40 Mn OD2 A:Asp443 2.23 Mn OD1 A:Asp443 2.94 Mn CG A:Asp443 2.93 Mn NE2 A:His444 2.32 Mn ND1 A:His444 4.35 Mn CD2 A:His444 2.88 Mn CE1 A:His444 3.47 Mn CG A:His444 4.11 Mn MN A:Mn601 4.99 interactive model: