Iron in the structure of Wild Type Human Ferrochelatase Crystallized With MNCL2 (pdb 2qd4)

The binding sites of Iron atom in the structure of Wild Type Human Ferrochelatase Crystallized With MNCL2 (pdb code 2qd4). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2qd4 structure was solved by A.E.MEDLOCK, T.A.DAILEY, T.A.ROSS, H.A.DAILEY, W.N.LANZILOTTA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.9-2.0 Space group P212121 a (A) 87.586 b (A) 93.062 c (A) 109.980 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.6 Rfree (%) 23 Iron Binding Sites: Iron binding site 1 out of 4 in 2qd4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2qd4. 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: Hoh826, A: Hoh959, A: Hoh960, A: Hoh961, conact list: Atom Atom Distance (A) Fe CB A:Cys196 4.93 Fe SG A:Cys196 4.49 Fe CB A:Ser402 4.81 Fe N A:Cys403 4.66 Fe CB A:Cys403 4.68 Fe SG A:Cys403 4.56 Fe CB A:Cys406 3.37 Fe SG A:Cys406 2.32 Fe CA A:Cys406 4.23 Fe O A:Asn408 4.60 Fe N A:Asn408 4.95 Fe CB A:Asn408 4.55 Fe CB A:Cys411 3.21 Fe SG A:Cys411 2.28 Fe CA A:Cys411 4.62 Fe S1 A:Fes501 2.25 Fe S2 A:Fes501 2.23 Fe FE1 A:Fes501 0.00 Fe FE2 A:Fes501 2.69 Fe O A:Hoh826 4.24 Fe O A:Hoh959 4.16 Fe O A:Hoh960 4.90 Fe O A:Hoh961 4.50 interactive model: Iron binding site 2 out of 4 in 2qd4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2qd4. 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: Ser402, A: Cys403, A: Cys406, A: Cys411, B: Arg798, A: Fes501, A: Hoh889, A: Hoh958, A: Hoh959, conact list: Atom Atom Distance (A) Fe CB A:Cys196 3.40 Fe SG A:Cys196 2.31 Fe CA A:Cys196 4.74 Fe CD A:Arg272 4.69 Fe NH1 A:Arg272 4.85 Fe C A:Ser402 4.98 Fe N A:Cys403 3.84 Fe CB A:Cys403 3.37 Fe SG A:Cys403 2.32 Fe CA A:Cys403 4.19 Fe CB A:Cys406 4.62 Fe SG A:Cys406 4.52 Fe SG A:Cys411 4.50 Fe NH2 B:Arg798 4.88 Fe S1 A:Fes501 2.22 Fe S2 A:Fes501 2.26 Fe FE1 A:Fes501 2.69 Fe FE2 A:Fes501 0.00 Fe O A:Hoh889 3.66 Fe O A:Hoh958 4.26 Fe O A:Hoh959 4.60 interactive model: Iron binding site 3 out of 4 in 2qd4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2qd4. 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: Hoh953, B: Hoh1051, B: Hoh1101, conact list: Atom Atom Distance (A) Fe CB B:Cys696 4.90 Fe SG B:Cys696 4.49 Fe CB B:Ser902 4.90 Fe N B:Cys903 4.67 Fe CB B:Cys903 4.66 Fe SG B:Cys903 4.55 Fe CB B:Cys906 3.37 Fe SG B:Cys906 2.32 Fe CA B:Cys906 4.24 Fe O B:Asn908 4.56 Fe N B:Asn908 4.90 Fe CB B:Asn908 4.48 Fe CB B:Cys911 3.22 Fe SG B:Cys911 2.29 Fe CA B:Cys911 4.63 Fe S1 B:Fes502 2.24 Fe S2 B:Fes502 2.23 Fe FE1 B:Fes502 0.00 Fe FE2 B:Fes502 2.68 Fe O B:Hoh953 4.30 Fe O B:Hoh1051 4.43 Fe O B:Hoh1101 4.39 interactive model: Iron binding site 4 out of 4 in 2qd4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2qd4. 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: Ser902, B: Cys903, B: Cys906, B: Cys911, B: Fes502, B: Hoh1050, B: Hoh1051, B: Hoh1052, conact list: Atom Atom Distance (A) Fe NH2 A:Arg298 4.90 Fe CB B:Cys696 3.38 Fe SG B:Cys696 2.30 Fe CA B:Cys696 4.72 Fe CD B:Arg772 4.51 Fe NH1 B:Arg772 4.87 Fe C B:Ser902 4.99 Fe N B:Cys903 3.86 Fe CB B:Cys903 3.36 Fe SG B:Cys903 2.31 Fe CA B:Cys903 4.20 Fe CB B:Cys906 4.60 Fe SG B:Cys906 4.51 Fe SG B:Cys911 4.50 Fe S1 B:Fes502 2.21 Fe S2 B:Fes502 2.25 Fe FE1 B:Fes502 2.68 Fe FE2 B:Fes502 0.00 Fe O B:Hoh1050 4.21 Fe O B:Hoh1051 4.26 Fe O B:Hoh1052 3.72 interactive model: