Manganese in the structure of The Binding Of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT) (pdb 2vs4)

The binding sites of Manganese atom in the structure of The Binding Of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT) (pdb code 2vs4). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2vs4 structure was solved by P.TUMBALE, H.JAMALUDDIN, N.THIYAGARAJAN, K.BREW, K.R.ACHARYA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.5-1.8 Space group P1211 a (A) 45.251 b (A) 94.630 c (A) 94.690 alpha (°) 90.00 beta (°) 98.90 gamma (°) 90.00 Rfactor (%) 26.3 Rfree (%) 27.8 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2vs4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2vs4. 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: Udp1370, W: Hoh23, W: Hoh39, W: Hoh55, W: Hoh62, W: Hoh79, W: Hoh159, W: Hoh290, conact list: Atom Atom Distance (A) Mn CB A:Asp225 3.66 Mn OD2 A:Asp225 2.36 Mn OD1 A:Asp225 4.42 Mn CG A:Asp225 3.33 Mn O A:Asp227 4.82 Mn CB A:Asp227 4.23 Mn OD2 A:Asp227 2.48 Mn OD1 A:Asp227 2.31 Mn CG A:Asp227 2.72 Mn CB A:Ala282 4.81 Mn NZ A:Lys359 3.68 Mn O3B A:Udp1370 3.56 Mn C3' A:Udp1370 4.73 Mn PA A:Udp1370 3.50 Mn O2A A:Udp1370 4.45 Mn O1B A:Udp1370 2.30 Mn PB A:Udp1370 3.22 Mn O3' A:Udp1370 4.00 Mn C5' A:Udp1370 4.28 Mn C4' A:Udp1370 4.89 Mn O5' A:Udp1370 4.42 Mn O2B A:Udp1370 4.27 Mn O3A A:Udp1370 3.55 Mn O1A A:Udp1370 2.45 Mn O W:Hoh23 4.44 Mn O W:Hoh39 4.29 Mn O W:Hoh55 3.84 Mn O W:Hoh62 4.37 Mn O W:Hoh79 2.21 Mn O W:Hoh159 4.38 Mn O W:Hoh290 3.98 interactive model: Manganese binding site 2 out of 2 in 2vs4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2vs4. 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: Udp1370, W: Hoh3, W: Hoh6, W: Hoh15, W: Hoh56, W: Hoh132, W: Hoh156, W: Hoh622, conact list: Atom Atom Distance (A) Mn CB B:Asp225 3.56 Mn OD2 B:Asp225 2.30 Mn OD1 B:Asp225 4.32 Mn CG B:Asp225 3.23 Mn CA B:Asp225 4.98 Mn O B:Asp227 4.74 Mn N B:Asp227 4.90 Mn CB B:Asp227 4.11 Mn OD2 B:Asp227 2.42 Mn OD1 B:Asp227 2.17 Mn CG B:Asp227 2.60 Mn CA B:Asp227 4.92 Mn CB B:Ala282 4.80 Mn NZ B:Lys359 3.77 Mn O3B B:Udp1370 3.59 Mn C3' B:Udp1370 4.52 Mn PA B:Udp1370 3.42 Mn O2A B:Udp1370 4.36 Mn O1B B:Udp1370 2.44 Mn PB B:Udp1370 3.28 Mn O3' B:Udp1370 3.81 Mn C5' B:Udp1370 4.21 Mn C4' B:Udp1370 4.77 Mn O5' B:Udp1370 4.34 Mn O2B B:Udp1370 4.36 Mn O3A B:Udp1370 3.55 Mn O1A B:Udp1370 2.33 Mn O W:Hoh3 4.50 Mn O W:Hoh6 4.42 Mn O W:Hoh15 4.33 Mn O W:Hoh56 2.40 Mn O W:Hoh132 3.94 Mn O W:Hoh156 4.44 Mn O W:Hoh622 4.26 interactive model: