Manganese in the structure of Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex With Udp-Galactose and Manganese (pdb 1tvy)

The binding sites of Manganese atom in the structure of Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex With Udp-Galactose and Manganese (pdb code 1tvy). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1tvy structure was solved by B.RAMAKRISHNAN, E.BOEGGEMAN, P.K.QASBA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.6-2.3 Space group P212121 a (A) 50.476 b (A) 93.894 c (A) 145.054 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 24.6 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1tvy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1tvy. 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: Arg191, A: Asp252, A: Asp254, A: Lys279, A: His344, A: His347, A: Gdu404, A: Hoh1007, A: Hoh1159, A: Hoh1177, conact list: Atom Atom Distance (A) Mn CZ A:Arg191 4.98 Mn NH2 A:Arg191 4.40 Mn NH1 A:Arg191 4.54 Mn OD2 A:Asp252 4.80 Mn CB A:Asp254 4.36 Mn OD2 A:Asp254 3.33 Mn OD1 A:Asp254 2.24 Mn CG A:Asp254 3.06 Mn NZ A:Lys279 4.86 Mn NE2 A:His344 2.09 Mn ND1 A:His344 4.14 Mn CD2 A:His344 3.18 Mn CE1 A:His344 2.97 Mn CG A:His344 4.26 Mn NE2 A:His347 2.32 Mn ND1 A:His347 4.44 Mn CD2 A:His347 3.21 Mn CE1 A:His347 3.35 Mn CG A:His347 4.41 Mn O3B A:Gdu404 3.95 Mn C5D A:Gdu404 4.77 Mn PA A:Gdu404 3.37 Mn C3D A:Gdu404 4.64 Mn O3D A:Gdu404 4.07 Mn O2B A:Gdu404 4.80 Mn O3A A:Gdu404 3.65 Mn O5D A:Gdu404 4.62 Mn O2A A:Gdu404 4.05 Mn O1B A:Gdu404 2.34 Mn PB A:Gdu404 3.46 Mn O1A A:Gdu404 1.94 Mn O A:Hoh1007 2.31 Mn O A:Hoh1159 4.12 Mn O A:Hoh1177 4.32 interactive model: Manganese binding site 2 out of 2 in 1tvy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1tvy. 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: Arg191, B: Asp252, B: Asp254, B: Lys279, B: His344, B: His347, B: Gdu806, B: Hoh1004, B: Hoh1179, B: Hoh1249, conact list: Atom Atom Distance (A) Mn NH2 B:Arg191 4.50 Mn NH1 B:Arg191 4.51 Mn OD2 B:Asp252 4.68 Mn CB B:Asp254 4.42 Mn OD2 B:Asp254 3.38 Mn OD1 B:Asp254 2.26 Mn CG B:Asp254 3.10 Mn NZ B:Lys279 4.70 Mn NE2 B:His344 2.21 Mn ND1 B:His344 4.25 Mn CD2 B:His344 3.27 Mn CE1 B:His344 3.08 Mn CG B:His344 4.37 Mn NE2 B:His347 2.22 Mn ND1 B:His347 4.32 Mn CD2 B:His347 3.17 Mn CE1 B:His347 3.21 Mn CG B:His347 4.33 Mn O3B B:Gdu806 3.89 Mn C5D B:Gdu806 4.86 Mn PA B:Gdu806 3.35 Mn C3D B:Gdu806 4.65 Mn O3D B:Gdu806 4.03 Mn O2B B:Gdu806 4.73 Mn O3A B:Gdu806 3.61 Mn O5D B:Gdu806 4.65 Mn O2A B:Gdu806 3.97 Mn O1B B:Gdu806 2.28 Mn PB B:Gdu806 3.40 Mn O1A B:Gdu806 1.98 Mn O B:Hoh1004 2.41 Mn O B:Hoh1179 4.39 Mn O B:Hoh1249 4.35 interactive model: