Manganese in the structure of The Crystal Structure of Udp-Galnac: Polypeptide Alpha-N- Acetylgalactosaminyltransferase-T1 (pdb 1xhb)

The binding sites of Manganese atom in the structure of The Crystal Structure of Udp-Galnac: Polypeptide Alpha-N- Acetylgalactosaminyltransferase-T1 (pdb code 1xhb). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1xhb structure was solved by T.A.FRITZ, J.H.HURLEY, L.B.TRINH, J.SHILOACH, L.A.TABAK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 46.4-2.5 Space group P43 a (A) 65.605 b (A) 65.605 c (A) 125.947 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.8 Rfree (%) 25.5 Manganese Binding Sites: Manganese binding site 1 out of 1 in 1xhb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1xhb. 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: Asp209, A: His211, A: His344, conact list: Atom Atom Distance (A) Mn CB A:Asp209 3.81 Mn OD2 A:Asp209 2.39 Mn OD1 A:Asp209 4.26 Mn CG A:Asp209 3.31 Mn NE2 A:His211 2.06 Mn ND1 A:His211 4.02 Mn CD2 A:His211 3.24 Mn CE1 A:His211 2.81 Mn CG A:His211 4.25 Mn NE2 A:His344 2.31 Mn ND1 A:His344 4.17 Mn CD2 A:His344 3.52 Mn CE1 A:His344 2.93 Mn CG A:His344 4.48 interactive model: