Manganese in the structure of On The Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength (pdb 2a7a)

The binding sites of Manganese atom in the structure of On The Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength (pdb code 2a7a). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2a7a structure was solved by C.MUELLER-DIECKMANN, S.PANJIKAR, P.A.TUCKER, M.S.WEISS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.8 Space group I222 a (A) 61.968 b (A) 85.059 c (A) 88.367 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 20.6 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2a7a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2a7a. 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: Glu8, A: Asp10, A: Asp19, A: His24, A: Val32, A: Ser34, A: Ca302, A: Hoh309, A: Hoh322, A: Hoh333, A: Hoh385, conact list: Atom Atom Distance (A) Mn OE1 A:Glu8 3.49 Mn OE2 A:Glu8 2.18 Mn CD A:Glu8 3.16 Mn CG A:Glu8 4.47 Mn CB A:Asp10 3.52 Mn OD2 A:Asp10 2.11 Mn OD1 A:Asp10 4.25 Mn CG A:Asp10 3.12 Mn CB A:Asp19 4.20 Mn OD2 A:Asp19 3.55 Mn OD1 A:Asp19 2.20 Mn CG A:Asp19 3.08 Mn CA A:Asp19 4.56 Mn NE2 A:His24 2.27 Mn ND1 A:His24 4.35 Mn CD2 A:His24 3.26 Mn CE1 A:His24 3.22 Mn CG A:His24 4.40 Mn O A:Val32 4.50 Mn OG A:Ser34 4.11 Mn CA A:Ca302 4.15 Mn O A:Hoh309 2.20 Mn O A:Hoh322 3.94 Mn O A:Hoh333 2.16 Mn O A:Hoh385 4.20 interactive model: