Iron in the structure of Hg and Protoporphyrin Bound Human Ferrochelatase (pdb 3hcn)

The binding sites of Iron atom in the structure of Hg and Protoporphyrin Bound Human Ferrochelatase (pdb code 3hcn). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3hcn structure was solved by A.E.MEDLOCK, H.A.DAILEY, W.N.LANZILOTTA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 47.1-1.6 Space group P212121 a (A) 86.479 b (A) 92.964 c (A) 109.360 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.4 Rfree (%) 23.6 Iron Binding Sites: Iron binding site 1 out of 6 in 3hcn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3hcn. 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: Cys196, A: Ser402, A: Cys403, A: Cys406, A: Asn408, A: Cys411, A: Fes501, A: Hoh53, A: Hoh453, A: Hoh667, A: Hoh704, conact list: Atom Atom Distance (A) Fe CB A:Cys196 4.95 Fe SG A:Cys196 4.47 Fe CB A:Ser402 5.00 Fe N A:Cys403 4.88 Fe CB A:Cys403 4.91 Fe SG A:Cys403 4.71 Fe CB A:Cys406 3.30 Fe SG A:Cys406 2.32 Fe C A:Cys406 4.98 Fe CA A:Cys406 4.21 Fe O A:Asn408 4.47 Fe N A:Asn408 4.84 Fe CB A:Asn408 4.29 Fe CB A:Cys411 3.18 Fe SG A:Cys411 2.35 Fe CA A:Cys411 4.66 Fe S1 A:Fes501 2.24 Fe S2 A:Fes501 2.24 Fe FE1 A:Fes501 0.00 Fe FE2 A:Fes501 2.73 Fe O A:Hoh53 4.21 Fe O A:Hoh453 4.35 Fe O A:Hoh667 4.15 Fe O A:Hoh704 4.95 interactive model: Iron binding site 2 out of 6 in 3hcn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3hcn. 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: Cys196, A: Arg272, A: Cys403, A: Cys406, A: Cys411, B: Arg798, A: Fes501, A: Hoh11, A: Hoh667, B: Hoh358, conact list: Atom Atom Distance (A) Fe CB A:Cys196 3.39 Fe SG A:Cys196 2.30 Fe CA A:Cys196 4.73 Fe NE A:Arg272 4.92 Fe N A:Cys403 3.94 Fe CB A:Cys403 3.38 Fe SG A:Cys403 2.33 Fe CA A:Cys403 4.27 Fe CB A:Cys406 4.51 Fe SG A:Cys406 4.56 Fe SG A:Cys411 4.54 Fe NH2 B:Arg798 4.98 Fe S1 A:Fes501 2.23 Fe S2 A:Fes501 2.23 Fe FE1 A:Fes501 2.73 Fe FE2 A:Fes501 0.00 Fe O A:Hoh11 3.52 Fe O A:Hoh667 4.37 Fe O B:Hoh358 4.29 interactive model: Iron binding site 3 out of 6 in 3hcn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3hcn. 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: Imd2, A: Bct1, A: Hem424, conact list: Atom Atom Distance (A) Fe N1 A:Imd2 2.16 Fe C5 A:Imd2 3.16 Fe N3 A:Imd2 4.25 Fe C4 A:Imd2 4.28 Fe C2 A:Imd2 3.12 Fe O1 A:Bct1 4.64 Fe O2 A:Bct1 2.59 Fe C A:Bct1 3.83 Fe O3 A:Bct1 4.59 Fe C2D A:Hem424 4.31 Fe NC A:Hem424 2.04 Fe CHB A:Hem424 3.35 Fe CHC A:Hem424 3.45 Fe C3D A:Hem424 4.30 Fe NA A:Hem424 2.05 Fe CHA A:Hem424 3.45 Fe C2A A:Hem424 4.32 Fe C1D A:Hem424 3.00 Fe C4A A:Hem424 3.05 Fe C4B A:Hem424 3.10 Fe C3A A:Hem424 4.27 Fe C4C A:Hem424 3.02 Fe C2B A:Hem424 4.30 Fe C1C A:Hem424 3.05 Fe C2C A:Hem424 4.31 Fe ND A:Hem424 2.04 Fe CHD A:Hem424 3.36 Fe C1B A:Hem424 3.03 Fe NB A:Hem424 2.04 Fe FE A:Hem424 0.00 Fe C3C A:Hem424 4.34 Fe C3B A:Hem424 4.32 Fe C4D A:Hem424 3.06 Fe C1A A:Hem424 3.11 interactive model: Iron binding site 4 out of 6 in 3hcn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3hcn. 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: Cys696, B: Ser902, B: Cys903, B: Cys906, B: Asn908, B: Cys911, B: Fes502, B: Hoh64, B: Hoh67, B: Hoh161, B: Hoh469, conact list: Atom Atom Distance (A) Fe CB B:Cys696 4.91 Fe SG B:Cys696 4.46 Fe CB B:Ser902 4.92 Fe N B:Cys903 4.86 Fe CB B:Cys903 4.90 Fe SG B:Cys903 4.74 Fe CB B:Cys906 3.28 Fe SG B:Cys906 2.32 Fe C B:Cys906 4.96 Fe CA B:Cys906 4.20 Fe O B:Asn908 4.46 Fe N B:Asn908 4.82 Fe CB B:Asn908 4.32 Fe CB B:Cys911 3.18 Fe SG B:Cys911 2.34 Fe CA B:Cys911 4.65 Fe S1 B:Fes502 2.24 Fe S2 B:Fes502 2.24 Fe FE1 B:Fes502 0.00 Fe FE2 B:Fes502 2.73 Fe O B:Hoh64 4.21 Fe O B:Hoh67 4.36 Fe O B:Hoh161 4.14 Fe O B:Hoh469 4.44 interactive model: Iron binding site 5 out of 6 in 3hcn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 3hcn. 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: Cys696, B: Arg772, B: Cys903, B: Cys906, B: Cys911, B: Fes502, A: Hoh783, B: Hoh16, B: Hoh161, conact list: Atom Atom Distance (A) Fe CB B:Cys696 3.39 Fe SG B:Cys696 2.31 Fe CA B:Cys696 4.75 Fe NE B:Arg772 4.90 Fe N B:Cys903 3.89 Fe CB B:Cys903 3.36 Fe SG B:Cys903 2.34 Fe CA B:Cys903 4.23 Fe CB B:Cys906 4.46 Fe SG B:Cys906 4.54 Fe SG B:Cys911 4.53 Fe S1 B:Fes502 2.24 Fe S2 B:Fes502 2.23 Fe FE1 B:Fes502 2.73 Fe FE2 B:Fes502 0.00 Fe O A:Hoh783 4.22 Fe O B:Hoh16 3.55 Fe O B:Hoh161 4.33 interactive model: Iron binding site 6 out of 6 in 3hcn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 3hcn. 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: His763, B: Imd925, B: Imd3, B: Hem926, conact list: Atom Atom Distance (A) Fe CD2 B:His763 4.94 Fe N1 B:Imd925 2.28 Fe C5 B:Imd925 3.20 Fe N3 B:Imd925 4.35 Fe C4 B:Imd925 4.33 Fe C2 B:Imd925 3.25 Fe N1 B:Imd3 2.33 Fe C5 B:Imd3 3.24 Fe N3 B:Imd3 4.37 Fe C4 B:Imd3 4.37 Fe C2 B:Imd3 3.29 Fe C2D B:Hem926 4.28 Fe NC B:Hem926 2.01 Fe CHB B:Hem926 3.35 Fe CHC B:Hem926 3.44 Fe C3D B:Hem926 4.26 Fe NA B:Hem926 2.00 Fe CHA B:Hem926 3.40 Fe C2A B:Hem926 4.28 Fe C1D B:Hem926 2.99 Fe C4A B:Hem926 3.03 Fe C4B B:Hem926 3.09 Fe C3A B:Hem926 4.24 Fe C4C B:Hem926 3.01 Fe C2B B:Hem926 4.29 Fe C1C B:Hem926 3.04 Fe C2C B:Hem926 4.30 Fe ND B:Hem926 1.99 Fe CHD B:Hem926 3.36 Fe C1B B:Hem926 3.03 Fe NB B:Hem926 2.01 Fe FE B:Hem926 0.00 Fe C3C B:Hem926 4.33 Fe C3B B:Hem926 4.31 Fe C4D B:Hem926 3.02 Fe C1A B:Hem926 3.06 interactive model: