Iron in the structure of 1.7 Angstrom Structure of Human Ferrochelatase Variant R115L (pdb 2hrc)

The binding sites of Iron atom in the structure of 1.7 Angstrom Structure of Human Ferrochelatase Variant R115L (pdb code 2hrc). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2hrc structure was solved by A.MEDLOCK, L.SWARTZ, T.A.DAILEY, H.A.DAILEY, W.N.LANZILOTTA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 41.8-1.7 Space group P212121 a (A) 88.526 b (A) 92.983 c (A) 110.454 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.1 Rfree (%) 24.2 Iron Binding Sites: Iron binding site 1 out of 4 in 2hrc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2hrc. 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: Fes1501, A: Hoh1640, A: Hoh1795, A: Hoh1798, conact list: Atom Atom Distance (A) Fe CB A:Cys196 3.37 Fe SG A:Cys196 2.31 Fe CA A:Cys196 4.73 Fe NE A:Arg272 4.88 Fe N A:Cys403 3.88 Fe CB A:Cys403 3.37 Fe SG A:Cys403 2.38 Fe CA A:Cys403 4.25 Fe CB A:Cys406 4.42 Fe SG A:Cys406 4.60 Fe SG A:Cys411 4.63 Fe NH2 B:Arg798 4.91 Fe S1 A:Fes1501 2.21 Fe S2 A:Fes1501 2.23 Fe FE1 A:Fes1501 0.00 Fe FE2 A:Fes1501 2.71 Fe O A:Hoh1640 4.35 Fe O A:Hoh1795 3.94 Fe O A:Hoh1798 3.51 interactive model: Iron binding site 2 out of 4 in 2hrc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2hrc. 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: Fes1501, A: Hoh1678, A: Hoh1775, A: Hoh1795, A: Hoh1797, conact list: Atom Atom Distance (A) Fe CB A:Cys196 4.86 Fe SG A:Cys196 4.57 Fe CB A:Ser402 4.90 Fe N A:Cys403 4.78 Fe CB A:Cys403 4.81 Fe SG A:Cys403 4.71 Fe CB A:Cys406 3.19 Fe SG A:Cys406 2.35 Fe CA A:Cys406 4.23 Fe O A:Asn408 4.64 Fe N A:Asn408 4.99 Fe CB A:Asn408 4.60 Fe CB A:Cys411 3.17 Fe SG A:Cys411 2.40 Fe CA A:Cys411 4.65 Fe S1 A:Fes1501 2.23 Fe S2 A:Fes1501 2.21 Fe FE1 A:Fes1501 2.71 Fe FE2 A:Fes1501 0.00 Fe O A:Hoh1678 4.18 Fe O A:Hoh1775 4.31 Fe O A:Hoh1795 4.27 Fe O A:Hoh1797 4.42 interactive model: Iron binding site 3 out of 4 in 2hrc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2hrc. 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: Arg298, B: Cys696, B: Arg772, B: Cys903, B: Cys906, B: Cys911, B: Fes1502, B: Hoh1646, B: Hoh1813, B: Hoh1832, conact list: Atom Atom Distance (A) Fe NH2 A:Arg298 4.93 Fe CB B:Cys696 3.38 Fe SG B:Cys696 2.30 Fe CA B:Cys696 4.75 Fe NE B:Arg772 4.86 Fe N B:Cys903 3.89 Fe CB B:Cys903 3.32 Fe SG B:Cys903 2.35 Fe CA B:Cys903 4.23 Fe CB B:Cys906 4.45 Fe SG B:Cys906 4.62 Fe SG B:Cys911 4.62 Fe S1 B:Fes1502 2.21 Fe S2 B:Fes1502 2.22 Fe FE1 B:Fes1502 0.00 Fe FE2 B:Fes1502 2.71 Fe O B:Hoh1646 4.36 Fe O B:Hoh1813 3.89 Fe O B:Hoh1832 3.66 interactive model: Iron binding site 4 out of 4 in 2hrc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2hrc. 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: Fes1502, B: Hoh1695, B: Hoh1781, B: Hoh1813, conact list: Atom Atom Distance (A) Fe CB B:Cys696 4.85 Fe SG B:Cys696 4.53 Fe CB B:Ser902 4.92 Fe N B:Cys903 4.78 Fe CB B:Cys903 4.76 Fe SG B:Cys903 4.69 Fe CB B:Cys906 3.21 Fe SG B:Cys906 2.37 Fe CA B:Cys906 4.24 Fe O B:Asn908 4.61 Fe N B:Asn908 4.97 Fe CB B:Asn908 4.57 Fe CB B:Cys911 3.18 Fe SG B:Cys911 2.40 Fe CA B:Cys911 4.66 Fe S1 B:Fes1502 2.22 Fe S2 B:Fes1502 2.21 Fe FE1 B:Fes1502 2.71 Fe FE2 B:Fes1502 0.00 Fe O B:Hoh1695 4.18 Fe O B:Hoh1781 4.23 Fe O B:Hoh1813 4.23 interactive model: