Iron in the structure of Crystal Structure of BPHA3 (Oxidized Form) (pdb 2e4p)

The binding sites of Iron atom in the structure of Crystal Structure of BPHA3 (Oxidized Form) (pdb code 2e4p). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2e4p structure was solved by M.SENDA, S.KISHIGAMI, S.KIMURA, T.ISHIDA, M.FUKUDA, T.SENDA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 16.6-2.0 Space group P21212 a (A) 26.294 b (A) 144.113 c (A) 61.176 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.8 Rfree (%) 25.4 Iron Binding Sites: Iron binding site 1 out of 4 in 2e4p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2e4p. 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: Cys43, A: His45, A: Gly46, A: Trp48, A: Cys63, A: Leu65, A: His66, A: Fes1001, conact list: Atom Atom Distance (A) Fe CB A:Cys43 3.21 Fe SG A:Cys43 2.32 Fe CA A:Cys43 4.66 Fe N A:His45 4.81 Fe CB A:His45 4.12 Fe ND1 A:His45 4.48 Fe C A:His45 4.88 Fe CG A:His45 4.80 Fe CA A:His45 4.81 Fe N A:Gly46 4.42 Fe CB A:Trp48 4.81 Fe CB A:Cys63 3.12 Fe SG A:Cys63 2.30 Fe C A:Cys63 4.99 Fe CA A:Cys63 4.56 Fe CB A:Leu65 4.76 Fe N A:His66 4.75 Fe ND1 A:His66 4.67 Fe S1 A:Fes1001 2.18 Fe S2 A:Fes1001 2.18 Fe FE1 A:Fes1001 0.00 Fe FE2 A:Fes1001 2.76 interactive model: Iron binding site 2 out of 4 in 2e4p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2e4p. 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: Cys43, A: His45, A: Gly46, A: Cys63, A: Leu65, A: His66, A: Pro81, A: Fes1001, conact list: Atom Atom Distance (A) Fe SG A:Cys43 4.44 Fe O A:His45 4.55 Fe NE2 A:His45 4.27 Fe CB A:His45 3.43 Fe ND1 A:His45 2.18 Fe CD2 A:His45 4.30 Fe C A:His45 4.22 Fe CE1 A:His45 3.16 Fe CG A:His45 3.16 Fe CA A:His45 4.42 Fe N A:Gly46 4.32 Fe CA A:Gly46 4.92 Fe SG A:Cys63 4.52 Fe CB A:Leu65 4.67 Fe C A:Leu65 4.87 Fe NE2 A:His66 4.36 Fe N A:His66 4.05 Fe CB A:His66 3.31 Fe ND1 A:His66 2.29 Fe CD2 A:His66 4.30 Fe CE1 A:His66 3.31 Fe CG A:His66 3.13 Fe CA A:His66 4.28 Fe CD A:Pro81 4.98 Fe CG A:Pro81 4.70 Fe S1 A:Fes1001 2.16 Fe S2 A:Fes1001 2.19 Fe FE1 A:Fes1001 2.76 Fe FE2 A:Fes1001 0.00 interactive model: Iron binding site 3 out of 4 in 2e4p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2e4p. 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: B: Cys43, B: His45, B: Gly46, B: Trp48, B: Cys63, B: Leu65, B: His66, B: Pro82, B: Fes1001, conact list: Atom Atom Distance (A) Fe CB B:Cys43 3.14 Fe SG B:Cys43 2.36 Fe CA B:Cys43 4.60 Fe N B:His45 4.80 Fe CB B:His45 4.10 Fe ND1 B:His45 4.52 Fe C B:His45 4.88 Fe CG B:His45 4.82 Fe CA B:His45 4.81 Fe N B:Gly46 4.42 Fe CB B:Trp48 4.79 Fe CB B:Cys63 3.11 Fe SG B:Cys63 2.21 Fe C B:Cys63 4.97 Fe CA B:Cys63 4.55 Fe CB B:Leu65 4.67 Fe N B:His66 4.68 Fe ND1 B:His66 4.65 Fe CG B:Pro82 4.84 Fe S1 B:Fes1001 2.17 Fe S2 B:Fes1001 2.18 Fe FE1 B:Fes1001 0.00 Fe FE2 B:Fes1001 2.79 interactive model: Iron binding site 4 out of 4 in 2e4p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2e4p. 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: B: Cys43, B: His45, B: Gly46, B: Cys63, B: Leu65, B: His66, B: Pro81, B: Fes1001, B: Hoh1027, conact list: Atom Atom Distance (A) Fe SG B:Cys43 4.45 Fe O B:His45 4.51 Fe NE2 B:His45 4.27 Fe CB B:His45 3.37 Fe ND1 B:His45 2.17 Fe CD2 B:His45 4.27 Fe C B:His45 4.19 Fe CE1 B:His45 3.17 Fe CG B:His45 3.11 Fe CA B:His45 4.38 Fe N B:Gly46 4.30 Fe CA B:Gly46 4.86 Fe SG B:Cys63 4.53 Fe CB B:Leu65 4.64 Fe CD2 B:Leu65 4.73 Fe C B:Leu65 4.87 Fe CG B:Leu65 4.82 Fe NE2 B:His66 4.32 Fe N B:His66 4.02 Fe CB B:His66 3.39 Fe ND1 B:His66 2.25 Fe CD2 B:His66 4.30 Fe CE1 B:His66 3.24 Fe CG B:His66 3.16 Fe CA B:His66 4.29 Fe CG B:Pro81 4.39 Fe S1 B:Fes1001 2.19 Fe S2 B:Fes1001 2.19 Fe FE1 B:Fes1001 2.79 Fe FE2 B:Fes1001 0.00 Fe O B:Hoh1027 4.62 interactive model: