Manganese in the structure of Monoclinic Form of Idi-1 (pdb 2vnq)

The binding sites of Manganese atom in the structure of Monoclinic Form of Idi-1 (pdb code 2vnq). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2vnq structure was solved by J.DE RUYCK, Y.OUDJAMA, J.WOUTERS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 33.5-2.2 Space group P1211 a (A) 43.200 b (A) 69.100 c (A) 62.400 alpha (°) 90.00 beta (°) 100.30 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 26.1 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2vnq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2vnq. 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: Val6, A: His25, A: His32, A: Ala34, A: His69, A: Glu114, A: Glu116, A: Imd301, conact list: Atom Atom Distance (A) Mn CG1 A:Val6 4.78 Mn NE2 A:His25 2.16 Mn ND1 A:His25 4.24 Mn CD2 A:His25 3.12 Mn CE1 A:His25 3.15 Mn CG A:His25 4.27 Mn NE2 A:His32 2.16 Mn ND1 A:His32 4.25 Mn CD2 A:His32 3.19 Mn CE1 A:His32 3.11 Mn CG A:His32 4.31 Mn CB A:Ala34 5.00 Mn NE2 A:His69 2.15 Mn ND1 A:His69 4.14 Mn CD2 A:His69 3.29 Mn CE1 A:His69 2.95 Mn CG A:His69 4.34 Mn OE1 A:Glu114 2.34 Mn CB A:Glu114 4.83 Mn OE2 A:Glu114 2.05 Mn CD A:Glu114 2.53 Mn CG A:Glu114 4.05 Mn CA A:Glu114 5.00 Mn OE1 A:Glu116 3.98 Mn OE2 A:Glu116 2.00 Mn CD A:Glu116 3.01 Mn CG A:Glu116 3.60 Mn N1 A:Imd301 4.33 Mn N3 A:Imd301 4.75 Mn C2 A:Imd301 3.99 interactive model: Manganese binding site 2 out of 2 in 2vnq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2vnq. 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: Val6, B: His25, B: His32, B: His69, B: Glu114, B: Glu116, B: Imd301, B: Hoh2040, conact list: Atom Atom Distance (A) Mn CG1 B:Val6 4.98 Mn NE2 B:His25 2.19 Mn ND1 B:His25 4.23 Mn CD2 B:His25 3.24 Mn CE1 B:His25 3.08 Mn CG B:His25 4.33 Mn NE2 B:His32 2.11 Mn ND1 B:His32 4.18 Mn CD2 B:His32 3.14 Mn CE1 B:His32 3.05 Mn CG B:His32 4.26 Mn NE2 B:His69 2.17 Mn ND1 B:His69 4.27 Mn CD2 B:His69 3.11 Mn CE1 B:His69 3.17 Mn CG B:His69 4.28 Mn OE1 B:Glu114 2.37 Mn CB B:Glu114 4.83 Mn OE2 B:Glu114 2.16 Mn CD B:Glu114 2.59 Mn CG B:Glu114 4.09 Mn CA B:Glu114 5.00 Mn OE1 B:Glu116 4.07 Mn OE2 B:Glu116 1.90 Mn CD B:Glu116 3.06 Mn CG B:Glu116 3.67 Mn N1 B:Imd301 4.22 Mn C5 B:Imd301 4.55 Mn C2 B:Imd301 4.92 Mn O B:Hoh2040 4.15 interactive model: