Manganese in the structure of Alpha-,1,3 Galactosyltransferase - Lactose Complex (pdb 1gwv)

The binding sites of Manganese atom in the structure of Alpha-,1,3 Galactosyltransferase - Lactose Complex (pdb code 1gwv). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1gwv structure was solved by E.BOIX, Y.ZHANG, G.J.SWAMINATHAN, K.BREW, K.R.ACHARYA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.0-2.5 Space group P1211 a (A) 45.010 b (A) 93.978 c (A) 94.681 alpha (°) 90.00 beta (°) 99.05 gamma (°) 90.00 Rfactor (%) 19.9 Rfree (%) 24.7 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1gwv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1gwv. 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: Asp225, A: Asp227, A: Ala282, A: Lys359, A: Udp1369, A: Hoh2034, A: Hoh2050, A: Hoh2066, A: Hoh2076, A: Hoh2077, A: Hoh2080, conact list: Atom Atom Distance (A) Mn CB A:Asp225 3.43 Mn OD2 A:Asp225 2.46 Mn OD1 A:Asp225 4.34 Mn CG A:Asp225 3.25 Mn CA A:Asp225 4.88 Mn O A:Asp227 4.88 Mn N A:Asp227 4.95 Mn CB A:Asp227 4.19 Mn OD2 A:Asp227 2.53 Mn OD1 A:Asp227 2.21 Mn CG A:Asp227 2.69 Mn CA A:Asp227 4.99 Mn CB A:Ala282 4.73 Mn NZ A:Lys359 3.78 Mn O3B A:Udp1369 3.75 Mn C3' A:Udp1369 4.39 Mn PA A:Udp1369 3.49 Mn O2A A:Udp1369 4.85 Mn O1B A:Udp1369 2.17 Mn PB A:Udp1369 3.26 Mn O3' A:Udp1369 3.76 Mn C5' A:Udp1369 4.01 Mn C4' A:Udp1369 4.68 Mn O5' A:Udp1369 4.09 Mn O2B A:Udp1369 4.49 Mn O3A A:Udp1369 3.18 Mn O1A A:Udp1369 2.70 Mn O A:Hoh2034 4.64 Mn O A:Hoh2050 4.22 Mn O A:Hoh2066 4.47 Mn O A:Hoh2076 4.36 Mn O A:Hoh2077 2.34 Mn O A:Hoh2080 4.57 interactive model: Manganese binding site 2 out of 2 in 1gwv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1gwv. 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: Asp225, B: Asp227, B: Ala282, B: Lys359, B: Udp1369, B: Hoh2041, B: Hoh2042, B: Hoh2087, B: Hoh2093, B: Hoh2096, conact list: Atom Atom Distance (A) Mn CB B:Asp225 3.39 Mn OD2 B:Asp225 2.09 Mn OD1 B:Asp225 4.11 Mn CG B:Asp225 3.03 Mn CA B:Asp225 4.82 Mn O B:Asp227 4.77 Mn N B:Asp227 4.89 Mn CB B:Asp227 4.18 Mn OD2 B:Asp227 2.75 Mn OD1 B:Asp227 2.07 Mn CG B:Asp227 2.72 Mn CA B:Asp227 4.96 Mn CB B:Ala282 4.79 Mn NZ B:Lys359 3.90 Mn O3B B:Udp1369 3.58 Mn C3' B:Udp1369 4.57 Mn PA B:Udp1369 3.54 Mn O2A B:Udp1369 4.77 Mn O1B B:Udp1369 2.16 Mn PB B:Udp1369 3.28 Mn O3' B:Udp1369 3.79 Mn C5' B:Udp1369 4.49 Mn C4' B:Udp1369 4.94 Mn O5' B:Udp1369 4.37 Mn O2B B:Udp1369 4.57 Mn O3A B:Udp1369 3.43 Mn O1A B:Udp1369 2.51 Mn O B:Hoh2041 4.44 Mn O B:Hoh2042 4.61 Mn O B:Hoh2087 4.18 Mn O B:Hoh2093 4.47 Mn O B:Hoh2096 2.13 interactive model: