Iron in the structure of Mouse Neuroglobin With Heme Iron in the Reduced Ferrous State (pdb 2vry)

The binding sites of Iron atom in the structure of Mouse Neuroglobin With Heme Iron in the Reduced Ferrous State (pdb code 2vry). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2vry structure was solved by A.ARCOVITO, T.MOSCHETTI, P.D'ANGELO, G.MANCINI, B.VALLONE, M.BRUNORI, S.DELLA LONGA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 63.2-1.9 Space group H32 a (A) 87.920 b (A) 87.920 c (A) 113.646 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.5 Rfree (%) 21.7 Iron Binding Sites: Iron binding site 1 out of 2 in 2vry Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2vry. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His64, A: Val68, A: His96, A: Hem1150, conact list: Atom Atom Distance (A) Fe NE2 A:His64 1.88 Fe NE2 A:His64 1.77 Fe ND1 A:His64 3.98 Fe ND1 A:His64 3.57 Fe CD2 A:His64 2.85 Fe CD2 A:His64 3.04 Fe CE1 A:His64 2.90 Fe CE1 A:His64 2.34 Fe CG A:His64 4.00 Fe CG A:His64 3.92 Fe CG2 A:Val68 4.50 Fe NE2 A:His96 2.35 Fe NE2 A:His96 2.35 Fe ND1 A:His96 4.38 Fe ND1 A:His96 4.36 Fe CD2 A:His96 3.45 Fe CD2 A:His96 3.46 Fe CE1 A:His96 3.19 Fe CE1 A:His96 3.16 Fe CG A:His96 4.53 Fe CG A:His96 4.53 Fe C2D A:Hem1150 4.36 Fe C2D A:Hem1150 4.76 Fe NC A:Hem1150 1.99 Fe NC A:Hem1150 2.55 Fe CHB A:Hem1150 3.46 Fe CHB A:Hem1150 2.89 Fe CHC A:Hem1150 3.40 Fe CHC A:Hem1150 3.50 Fe C3D A:Hem1150 4.38 Fe C3D A:Hem1150 4.69 Fe NA A:Hem1150 2.00 Fe NA A:Hem1150 1.95 Fe CHA A:Hem1150 3.46 Fe CHA A:Hem1150 3.70 Fe C2A A:Hem1150 4.29 Fe C2A A:Hem1150 4.13 Fe C1D A:Hem1150 3.11 Fe C1D A:Hem1150 3.67 Fe C4A A:Hem1150 3.06 Fe C4A A:Hem1150 2.66 Fe C4B A:Hem1150 3.11 Fe C4B A:Hem1150 2.89 Fe C3A A:Hem1150 4.29 Fe C3A A:Hem1150 3.95 Fe C4C A:Hem1150 3.04 Fe C4C A:Hem1150 3.63 Fe C2B A:Hem1150 4.34 Fe C2B A:Hem1150 3.84 Fe C1C A:Hem1150 3.00 Fe C1C A:Hem1150 3.40 Fe C2C A:Hem1150 4.23 Fe C2C A:Hem1150 4.70 Fe ND A:Hem1150 2.14 Fe ND A:Hem1150 2.73 Fe CHD A:Hem1150 3.45 Fe CHD A:Hem1150 4.04 Fe C1B A:Hem1150 3.11 Fe C1B A:Hem1150 2.57 Fe NB A:Hem1150 2.12 Fe NB A:Hem1150 1.70 Fe FE A:Hem1150 0.00 Fe FE A:Hem1150 0.86 Fe C3C A:Hem1150 4.24 Fe C3C A:Hem1150 4.79 Fe C3B A:Hem1150 4.35 Fe C3B A:Hem1150 3.97 Fe C4D A:Hem1150 3.14 Fe C4D A:Hem1150 3.51 Fe C1A A:Hem1150 3.06 Fe C1A A:Hem1150 3.10 interactive model: Iron binding site 2 out of 2 in 2vry Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2vry. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His64, A: His96, A: Hem1150, conact list: Atom Atom Distance (A) Fe NE2 A:His64 2.50 Fe NE2 A:His64 2.25 Fe ND1 A:His64 4.55 Fe ND1 A:His64 4.15 Fe CD2 A:His64 3.40 Fe CD2 A:His64 3.48 Fe CE1 A:His64 3.47 Fe CE1 A:His64 2.90 Fe CG A:His64 4.55 Fe CG A:His64 4.45 Fe NE2 A:His96 1.75 Fe NE2 A:His96 1.74 Fe ND1 A:His96 3.85 Fe ND1 A:His96 3.83 Fe CD2 A:His96 2.69 Fe CD2 A:His96 2.71 Fe CE1 A:His96 2.80 Fe CE1 A:His96 2.77 Fe CG A:His96 3.84 Fe CG A:His96 3.83 Fe C2D A:Hem1150 4.83 Fe C2D A:Hem1150 4.28 Fe NC A:Hem1150 2.57 Fe NC A:Hem1150 2.09 Fe CHB A:Hem1150 2.93 Fe CHB A:Hem1150 3.39 Fe CHC A:Hem1150 3.58 Fe CHC A:Hem1150 3.44 Fe C3D A:Hem1150 4.68 Fe C3D A:Hem1150 4.30 Fe NA A:Hem1150 1.61 Fe NA A:Hem1150 2.05 Fe CHA A:Hem1150 3.41 Fe CHA A:Hem1150 3.45 Fe C2A A:Hem1150 3.87 Fe C2A A:Hem1150 4.27 Fe C1D A:Hem1150 3.67 Fe C1D A:Hem1150 3.09 Fe C4A A:Hem1150 2.52 Fe C4A A:Hem1150 3.02 Fe C4B A:Hem1150 3.07 Fe C4B A:Hem1150 3.04 Fe C3A A:Hem1150 3.76 Fe C3A A:Hem1150 4.26 Fe C4C A:Hem1150 3.67 Fe C4C A:Hem1150 3.08 Fe C2B A:Hem1150 3.99 Fe C2B A:Hem1150 4.24 Fe C1C A:Hem1150 3.40 Fe C1C A:Hem1150 3.11 Fe C2C A:Hem1150 4.69 Fe C2C A:Hem1150 4.34 Fe ND A:Hem1150 2.58 Fe ND A:Hem1150 2.12 Fe CHD A:Hem1150 4.09 Fe CHD A:Hem1150 3.45 Fe C1B A:Hem1150 2.70 Fe C1B A:Hem1150 3.02 Fe NB A:Hem1150 1.92 Fe NB A:Hem1150 1.98 Fe FE A:Hem1150 0.86 Fe FE A:Hem1150 0.00 Fe C3C A:Hem1150 4.80 Fe C3C A:Hem1150 4.31 Fe C3B A:Hem1150 4.16 Fe C3B A:Hem1150 4.25 Fe C4D A:Hem1150 3.35 Fe C4D A:Hem1150 3.10 Fe C1A A:Hem1150 2.79 Fe C1A A:Hem1150 3.07 interactive model: