Manganese in the structure of Screening A Limited Structure-Based Library Identifies Udp- Galnac-Specific Mutants of Alpha-1,3 Galactosyltransferase (pdb 2vxl)

The binding sites of Manganese atom in the structure of Screening A Limited Structure-Based Library Identifies Udp- Galnac-Specific Mutants of Alpha-1,3 Galactosyltransferase (pdb code 2vxl). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2vxl structure was solved by P.TUMBALE, H.JAMALUDDIN, N.THIYAGARAJAN, K.R.ACHARYA, K.BREW, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 43.9-2.7 Space group P3121 a (A) 70.197 b (A) 70.197 c (A) 126.991 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.2 Rfree (%) 26 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2vxl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2vxl. 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: Gln228, A: Udp401, conact list: Atom Atom Distance (A) Mn CB A:Asp225 3.41 Mn OD2 A:Asp225 2.10 Mn OD1 A:Asp225 4.21 Mn CG A:Asp225 3.08 Mn CA A:Asp225 4.83 Mn O A:Asp227 4.93 Mn CB A:Asp227 4.22 Mn OD2 A:Asp227 2.40 Mn OD1 A:Asp227 2.37 Mn CG A:Asp227 2.71 Mn OE1 A:Gln228 4.76 Mn O3B A:Udp401 4.39 Mn C3' A:Udp401 4.63 Mn PA A:Udp401 3.42 Mn O2A A:Udp401 4.48 Mn O1B A:Udp401 4.18 Mn PB A:Udp401 3.34 Mn O3' A:Udp401 3.77 Mn C5' A:Udp401 4.44 Mn O5' A:Udp401 4.47 Mn O2B A:Udp401 2.16 Mn O3A A:Udp401 3.39 Mn O1A A:Udp401 2.25 interactive model: