Manganese in the structure of Pyruvate Kinase From Saccharomyces Cerevisiae Complexed With Pg, MN2+ and K+ (pdb 1a3x)

The binding sites of Manganese atom in the structure of Pyruvate Kinase From Saccharomyces Cerevisiae Complexed With Pg, MN2+ and K+ (pdb code 1a3x). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1a3x structure was solved by M.S.JURICA, A.MESECAR, P.J.HEATH, W.SHI, T.NOWAK, B.L.STODDARD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 100.0-3.0 Space group C121 a (A) 108.300 b (A) 106.400 c (A) 105.500 alpha (°) 90.00 beta (°) 110.80 gamma (°) 90.00 Rfactor (%) 22.7 Rfree (%) 34.1 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1a3x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1a3x. 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: Ser213, A: Phe214, A: Lys240, A: Glu242, A: Ala263, A: Asp266, A: Pga1005, conact list: Atom Atom Distance (A) Mn OG A:Ser213 4.82 Mn CE2 A:Phe214 4.86 Mn CZ A:Phe214 4.29 Mn CE1 A:Phe214 4.63 Mn NZ A:Lys240 4.98 Mn OE1 A:Glu242 2.27 Mn CB A:Glu242 4.80 Mn OE2 A:Glu242 3.76 Mn CD A:Glu242 3.36 Mn CG A:Glu242 4.66 Mn CB A:Ala263 4.77 Mn N A:Asp266 4.03 Mn CB A:Asp266 3.86 Mn OD2 A:Asp266 3.75 Mn OD1 A:Asp266 2.02 Mn CG A:Asp266 3.00 Mn CA A:Asp266 4.60 Mn O2 A:Pga1005 3.83 Mn P A:Pga1005 2.89 Mn O3P A:Pga1005 3.82 Mn C1 A:Pga1005 3.72 Mn O1 A:Pga1005 4.46 Mn O1P A:Pga1005 2.34 Mn O4P A:Pga1005 2.22 Mn C2 A:Pga1005 3.39 Mn O2P A:Pga1005 4.20 interactive model: Manganese binding site 2 out of 2 in 1a3x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1a3x. 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: B: Ser213, B: Phe214, B: Glu242, B: Ala263, B: Asp266, B: Pga1006, conact list: Atom Atom Distance (A) Mn OG B:Ser213 4.75 Mn CE2 B:Phe214 4.42 Mn CD1 B:Phe214 4.90 Mn CZ B:Phe214 3.73 Mn CE1 B:Phe214 4.02 Mn OE1 B:Glu242 1.99 Mn CB B:Glu242 4.52 Mn OE2 B:Glu242 3.54 Mn CD B:Glu242 3.08 Mn CG B:Glu242 4.36 Mn CB B:Ala263 4.82 Mn N B:Asp266 4.02 Mn CB B:Asp266 3.57 Mn OD2 B:Asp266 3.49 Mn OD1 B:Asp266 1.91 Mn CG B:Asp266 2.75 Mn CA B:Asp266 4.44 Mn P B:Pga1006 2.69 Mn O3P B:Pga1006 3.74 Mn C1 B:Pga1006 4.10 Mn O1 B:Pga1006 3.79 Mn O1P B:Pga1006 2.45 Mn O4P B:Pga1006 1.77 Mn C2 B:Pga1006 3.65 Mn O2P B:Pga1006 3.85 interactive model: