Iron in the structure of Crystal Structure of Murine Ngb Under Xe Pressure (pdb 3gk9)

The binding sites of Iron atom in the structure of Crystal Structure of Murine Ngb Under Xe Pressure (pdb code 3gk9). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3gk9 structure was solved by T.MOSCHETTI, U.MUELLER, J.SCHULTZE, M.BRUNORI, B.VALLONE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.6-1.8 Space group H32 a (A) 88.830 b (A) 88.830 c (A) 110.926 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.6 Rfree (%) 21.1 Iron Binding Sites: Iron binding site 1 out of 2 in 3gk9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3gk9. 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: Hem200, conact list: Atom Atom Distance (A) Fe NE2 A:His64 2.07 Fe NE2 A:His64 2.08 Fe ND1 A:His64 4.10 Fe ND1 A:His64 4.13 Fe CD2 A:His64 3.15 Fe CD2 A:His64 3.06 Fe CE1 A:His64 2.94 Fe CE1 A:His64 3.03 Fe CG A:His64 4.23 Fe CG A:His64 4.17 Fe CG2 A:Val68 4.79 Fe NE2 A:His96 2.01 Fe NE2 A:His96 2.10 Fe ND1 A:His96 4.08 Fe ND1 A:His96 4.19 Fe CD2 A:His96 3.06 Fe CD2 A:His96 3.11 Fe CE1 A:His96 2.94 Fe CE1 A:His96 3.07 Fe CG A:His96 4.16 Fe CG A:His96 4.25 Fe C2D A:Hem200 4.34 Fe C2D A:Hem200 4.84 Fe NC A:Hem200 2.02 Fe NC A:Hem200 2.21 Fe CHB A:Hem200 3.52 Fe CHB A:Hem200 2.99 Fe CHC A:Hem200 3.32 Fe CHC A:Hem200 3.15 Fe C3D A:Hem200 4.31 Fe C3D A:Hem200 4.82 Fe NA A:Hem200 2.12 Fe NA A:Hem200 2.06 Fe CHA A:Hem200 3.44 Fe CHA A:Hem200 3.77 Fe C2A A:Hem200 4.38 Fe C2A A:Hem200 4.30 Fe C1D A:Hem200 3.11 Fe C1D A:Hem200 3.60 Fe C4A A:Hem200 3.17 Fe C4A A:Hem200 2.80 Fe C4B A:Hem200 3.00 Fe C4B A:Hem200 2.62 Fe C3A A:Hem200 4.39 Fe C3A A:Hem200 4.10 Fe C4C A:Hem200 3.08 Fe C4C A:Hem200 3.37 Fe C2B A:Hem200 4.28 Fe C2B A:Hem200 3.74 Fe C1C A:Hem200 2.97 Fe C1C A:Hem200 3.01 Fe C2C A:Hem200 4.21 Fe C2C A:Hem200 4.34 Fe ND A:Hem200 2.10 Fe ND A:Hem200 2.63 Fe CHD A:Hem200 3.49 Fe CHD A:Hem200 3.87 Fe C1B A:Hem200 3.09 Fe C1B A:Hem200 2.53 Fe NB A:Hem200 2.04 Fe NB A:Hem200 1.51 Fe FE A:Hem200 0.00 Fe FE A:Hem200 0.63 Fe C3C A:Hem200 4.24 Fe C3C A:Hem200 4.49 Fe C3B A:Hem200 4.24 Fe C3B A:Hem200 3.78 Fe C4D A:Hem200 3.07 Fe C4D A:Hem200 3.56 Fe C1A A:Hem200 3.13 Fe C1A A:Hem200 3.23 interactive model: Iron binding site 2 out of 2 in 3gk9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3gk9. 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: Hem200, conact list: Atom Atom Distance (A) Fe NE2 A:His64 2.07 Fe NE2 A:His64 2.26 Fe ND1 A:His64 4.17 Fe ND1 A:His64 4.22 Fe CD2 A:His64 3.05 Fe CD2 A:His64 3.08 Fe CE1 A:His64 3.07 Fe CE1 A:His64 3.22 Fe CG A:His64 4.20 Fe CG A:His64 4.18 Fe NE2 A:His96 1.95 Fe NE2 A:His96 2.12 Fe ND1 A:His96 4.07 Fe ND1 A:His96 4.23 Fe CD2 A:His96 2.88 Fe CD2 A:His96 2.96 Fe CE1 A:His96 3.00 Fe CE1 A:His96 3.19 Fe CG A:His96 4.05 Fe CG A:His96 4.15 Fe C2D A:Hem200 4.59 Fe C2D A:Hem200 4.23 Fe NC A:Hem200 2.65 Fe NC A:Hem200 2.03 Fe CHB A:Hem200 3.02 Fe CHB A:Hem200 3.49 Fe CHC A:Hem200 3.71 Fe CHC A:Hem200 3.46 Fe C3D A:Hem200 4.35 Fe C3D A:Hem200 4.24 Fe NA A:Hem200 1.51 Fe NA A:Hem200 2.10 Fe CHA A:Hem200 3.11 Fe CHA A:Hem200 3.39 Fe C2A A:Hem200 3.79 Fe C2A A:Hem200 4.29 Fe C1D A:Hem200 3.48 Fe C1D A:Hem200 3.00 Fe C4A A:Hem200 2.56 Fe C4A A:Hem200 3.10 Fe C4B A:Hem200 3.17 Fe C4B A:Hem200 3.12 Fe C3A A:Hem200 3.77 Fe C3A A:Hem200 4.29 Fe C4C A:Hem200 3.69 Fe C4C A:Hem200 3.02 Fe C2B A:Hem200 4.11 Fe C2B A:Hem200 4.37 Fe C1C A:Hem200 3.52 Fe C1C A:Hem200 3.07 Fe C2C A:Hem200 4.79 Fe C2C A:Hem200 4.27 Fe ND A:Hem200 2.30 Fe ND A:Hem200 2.01 Fe CHD A:Hem200 4.02 Fe CHD A:Hem200 3.35 Fe C1B A:Hem200 2.80 Fe C1B A:Hem200 3.14 Fe NB A:Hem200 1.99 Fe NB A:Hem200 2.11 Fe FE A:Hem200 0.63 Fe FE A:Hem200 0.00 Fe C3C A:Hem200 4.86 Fe C3C A:Hem200 4.25 Fe C3B A:Hem200 4.27 Fe C3B A:Hem200 4.36 Fe C4D A:Hem200 3.00 Fe C4D A:Hem200 3.02 Fe C1A A:Hem200 2.61 Fe C1A A:Hem200 3.08 interactive model: