Manganese in the structure of Crystal Structure of Human M340H-Beta-1,4-Galactosyltransferase-1 (M340H-B4GAL-T1) in Complex With Glcnac-BETA1,6-Gal-BETA1,4-Glc-Beta (pdb 4eea)

The binding sites of Manganese atom in the structure of Crystal Structure of Human M340H-Beta-1,4-Galactosyltransferase-1 (M340H-B4GAL-T1) in Complex With Glcnac-BETA1,6-Gal-BETA1,4-Glc-Beta (pdb code 4eea). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 4eea structure was solved by B.RAMAKRISHNAN, P.K.QASBA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.5-2.0 Space group C2221 a (A) 107.322 b (A) 196.204 c (A) 143.594 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 24 Manganese Binding Sites: Manganese binding site 1 out of 3 in 4eea Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 4eea. 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: Arg187, A: Asp250, A: His340, A: Ile341, A: His343, A: Udp404, A: Hoh691, conact list: Atom Atom Distance (A) Mn CZ A:Arg187 4.72 Mn NH2 A:Arg187 4.12 Mn NH1 A:Arg187 4.35 Mn CB A:Asp250 4.26 Mn OD2 A:Asp250 2.22 Mn OD1 A:Asp250 3.57 Mn CG A:Asp250 3.12 Mn NE2 A:His340 2.41 Mn ND1 A:His340 4.50 Mn CD2 A:His340 3.39 Mn CE1 A:His340 3.36 Mn CG A:His340 4.54 Mn O A:Ile341 4.86 Mn NE2 A:His343 2.29 Mn ND1 A:His343 4.37 Mn CD2 A:His343 3.23 Mn CE1 A:His343 3.27 Mn CG A:His343 4.39 Mn O3B A:Udp404 2.36 Mn C3' A:Udp404 4.87 Mn PA A:Udp404 3.43 Mn O2A A:Udp404 4.22 Mn O1B A:Udp404 3.67 Mn PB A:Udp404 2.38 Mn O3' A:Udp404 4.18 Mn O5' A:Udp404 4.72 Mn O2B A:Udp404 1.81 Mn O3A A:Udp404 3.26 Mn O1A A:Udp404 2.45 Mn O A:Hoh691 4.92 interactive model: Manganese binding site 2 out of 3 in 4eea Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 4eea. 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: Arg187, B: Asp250, B: Lys275, B: His340, B: Ile341, B: His343, B: Udp404, B: Hoh535, B: Hoh589, B: Hoh615, conact list: Atom Atom Distance (A) Mn CZ B:Arg187 4.70 Mn NH2 B:Arg187 4.08 Mn NH1 B:Arg187 4.44 Mn CB B:Asp250 4.32 Mn OD2 B:Asp250 2.31 Mn OD1 B:Asp250 3.55 Mn CG B:Asp250 3.15 Mn NZ B:Lys275 4.57 Mn NE2 B:His340 2.28 Mn ND1 B:His340 4.38 Mn CD2 B:His340 3.25 Mn CE1 B:His340 3.26 Mn CG B:His340 4.41 Mn O B:Ile341 4.87 Mn NE2 B:His343 2.31 Mn ND1 B:His343 4.42 Mn CD2 B:His343 3.24 Mn CE1 B:His343 3.32 Mn CG B:His343 4.42 Mn O3B B:Udp404 2.45 Mn PA B:Udp404 3.43 Mn O2A B:Udp404 4.21 Mn O1B B:Udp404 4.64 Mn PB B:Udp404 3.30 Mn O3' B:Udp404 4.33 Mn O5' B:Udp404 4.83 Mn O2B B:Udp404 3.85 Mn O3A B:Udp404 3.26 Mn O1A B:Udp404 2.39 Mn O B:Hoh535 3.39 Mn O B:Hoh589 4.98 Mn O B:Hoh615 4.32 interactive model: Manganese binding site 3 out of 3 in 4eea Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 4eea. 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: C: Arg187, C: Asp250, C: Lys275, C: His340, C: Ile341, C: His343, C: Udp404, C: Hoh587, conact list: Atom Atom Distance (A) Mn CZ C:Arg187 4.89 Mn NH2 C:Arg187 4.22 Mn NH1 C:Arg187 4.60 Mn CB C:Asp250 4.46 Mn OD2 C:Asp250 2.32 Mn OD1 C:Asp250 3.56 Mn CG C:Asp250 3.22 Mn NZ C:Lys275 4.45 Mn NE2 C:His340 2.54 Mn ND1 C:His340 4.68 Mn CD2 C:His340 3.35 Mn CE1 C:His340 3.62 Mn CG C:His340 4.59 Mn O C:Ile341 4.90 Mn NE2 C:His343 2.32 Mn ND1 C:His343 4.42 Mn CD2 C:His343 3.24 Mn CE1 C:His343 3.32 Mn CG C:His343 4.42 Mn O3B C:Udp404 2.43 Mn C3' C:Udp404 4.98 Mn PA C:Udp404 3.27 Mn O2A C:Udp404 3.54 Mn O1B C:Udp404 4.67 Mn PB C:Udp404 3.45 Mn O3' C:Udp404 4.35 Mn O5' C:Udp404 4.73 Mn O2B C:Udp404 4.10 Mn O3A C:Udp404 3.57 Mn O1A C:Udp404 2.34 Mn O C:Hoh587 2.93 interactive model: