Manganese in the structure of Catalytic Domain of Bovine Beta 1, 4-Galactosyltransferase in Complex With Alpha-Lactalbumin, Glucose, Mn, and Udp-N- Acetylgalactosamine (pdb 2fyd)

The binding sites of Manganese atom in the structure of Catalytic Domain of Bovine Beta 1, 4-Galactosyltransferase in Complex With Alpha-Lactalbumin, Glucose, Mn, and Udp-N- Acetylgalactosamine (pdb code 2fyd). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2fyd structure was solved by B.RAMAKRISHNAN, V.RAMASAMY, P.K.QASBA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.1-2.0 Space group P1211 a (A) 58.068 b (A) 95.376 c (A) 100.389 alpha (°) 90.00 beta (°) 101.33 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 24.2 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2fyd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2fyd. 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: Asp254, B: Met344, B: His347, B: Udp406, B: Hoh985, B: Hoh1008, conact list: Atom Atom Distance (A) Mn NH2 B:Arg191 4.49 Mn NH1 B:Arg191 4.68 Mn CB B:Asp254 4.53 Mn OD2 B:Asp254 2.25 Mn OD1 B:Asp254 3.46 Mn CG B:Asp254 3.18 Mn CE B:Met344 3.84 Mn CG B:Met344 3.81 Mn SD B:Met344 2.79 Mn NE2 B:His347 2.20 Mn ND1 B:His347 4.30 Mn CD2 B:His347 3.18 Mn CE1 B:His347 3.18 Mn CG B:His347 4.33 Mn O3B B:Udp406 3.41 Mn C3' B:Udp406 4.86 Mn PA B:Udp406 3.28 Mn O2A B:Udp406 4.23 Mn O1B B:Udp406 4.83 Mn PB B:Udp406 3.37 Mn O3' B:Udp406 3.97 Mn O5' B:Udp406 3.99 Mn O2B B:Udp406 2.37 Mn O3A B:Udp406 3.65 Mn O1A B:Udp406 1.97 Mn O B:Hoh985 4.03 Mn O B:Hoh1008 2.37 interactive model: Manganese binding site 2 out of 2 in 2fyd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2fyd. 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: D: Arg191, D: Asp254, D: Met344, D: Ile345, D: His347, D: Nga529, D: Udp528, D: Hoh911, D: Hoh926, D: Hoh1370, conact list: Atom Atom Distance (A) Mn CZ D:Arg191 4.99 Mn NH2 D:Arg191 4.41 Mn NH1 D:Arg191 4.56 Mn CB D:Asp254 4.64 Mn OD2 D:Asp254 2.33 Mn OD1 D:Asp254 3.50 Mn CG D:Asp254 3.26 Mn CE D:Met344 3.63 Mn CG D:Met344 3.85 Mn SD D:Met344 2.83 Mn O D:Ile345 4.96 Mn NE2 D:His347 2.23 Mn ND1 D:His347 4.30 Mn CD2 D:His347 3.29 Mn CE1 D:His347 3.14 Mn CG D:His347 4.40 Mn C8 D:Nga529 4.78 Mn O3B D:Udp528 3.44 Mn C3' D:Udp528 4.90 Mn PA D:Udp528 3.35 Mn O2A D:Udp528 4.23 Mn O1B D:Udp528 4.82 Mn PB D:Udp528 3.36 Mn O3' D:Udp528 4.12 Mn O5' D:Udp528 4.11 Mn O2B D:Udp528 2.31 Mn O3A D:Udp528 3.67 Mn O1A D:Udp528 2.08 Mn O D:Hoh911 2.04 Mn O D:Hoh926 3.85 Mn O D:Hoh1370 4.89 interactive model: