Iron in the structure of Structure of Wild Type Human Ferrochelatase in Complex With A Lead- Porphyrin Compound (pdb 2qd5)

The binding sites of Iron atom in the structure of Structure of Wild Type Human Ferrochelatase in Complex With A Lead- Porphyrin Compound (pdb code 2qd5). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2qd5 structure was solved by A.E.MELDOCK, 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) 47.3-2.3 Space group P212121 a (A) 86.218 b (A) 92.811 c (A) 109.808 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.7 Rfree (%) 28 Iron Binding Sites: Iron binding site 1 out of 4 in 2qd5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2qd5. 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, conact list: Atom Atom Distance (A) Fe SG A:Cys196 4.40 Fe CB A:Ser402 4.73 Fe OG A:Ser402 4.80 Fe N A:Cys403 4.65 Fe CB A:Cys403 4.64 Fe SG A:Cys403 4.52 Fe CB A:Cys406 3.38 Fe SG A:Cys406 2.31 Fe C A:Cys406 4.97 Fe CA A:Cys406 4.31 Fe O A:Asn408 4.73 Fe N A:Asn408 5.00 Fe CB A:Asn408 4.34 Fe CB A:Cys411 3.26 Fe SG A:Cys411 2.29 Fe CA A:Cys411 4.67 Fe S1 A:Fes501 2.23 Fe S2 A:Fes501 2.23 Fe FE1 A:Fes501 0.00 Fe FE2 A:Fes501 2.70 interactive model: Iron binding site 2 out of 4 in 2qd5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2qd5. 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: Cys411, A: Fes501, A: Hoh1119, conact list: Atom Atom Distance (A) Fe CB A:Cys196 3.39 Fe SG A:Cys196 2.30 Fe CA A:Cys196 4.74 Fe C A:Ser402 4.97 Fe N A:Cys403 3.85 Fe CB A:Cys403 3.39 Fe SG A:Cys403 2.32 Fe CA A:Cys403 4.20 Fe CB A:Cys406 4.56 Fe SG A:Cys406 4.48 Fe SG A:Cys411 4.47 Fe S1 A:Fes501 2.24 Fe S2 A:Fes501 2.26 Fe FE1 A:Fes501 2.70 Fe FE2 A:Fes501 0.00 Fe O A:Hoh1119 3.79 interactive model: Iron binding site 3 out of 4 in 2qd5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2qd5. 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: Val907, B: Asn908, B: Cys911, B: Fes502, conact list: Atom Atom Distance (A) Fe CB B:Cys696 4.88 Fe SG B:Cys696 4.38 Fe OG B:Ser902 4.02 Fe N B:Cys903 4.66 Fe CB B:Cys903 4.58 Fe SG B:Cys903 4.50 Fe CB B:Cys906 3.40 Fe SG B:Cys906 2.33 Fe CA B:Cys906 4.34 Fe N B:Val907 5.00 Fe O B:Asn908 4.63 Fe N B:Asn908 4.92 Fe CB B:Asn908 4.48 Fe CB B:Cys911 3.28 Fe SG B:Cys911 2.30 Fe CA B:Cys911 4.70 Fe S1 B:Fes502 2.22 Fe S2 B:Fes502 2.23 Fe FE1 B:Fes502 0.00 Fe FE2 B:Fes502 2.69 interactive model: Iron binding site 4 out of 4 in 2qd5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2qd5. 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: Asp774, B: Ser902, B: Cys903, B: Cys906, B: Cys911, B: Fes502, B: Hoh1173, conact list: Atom Atom Distance (A) Fe CB B:Cys696 3.39 Fe SG B:Cys696 2.29 Fe CA B:Cys696 4.75 Fe OD1 B:Asp774 4.87 Fe OG B:Ser902 4.94 Fe N B:Cys903 3.97 Fe CB B:Cys903 3.39 Fe SG B:Cys903 2.32 Fe CA B:Cys903 4.23 Fe CB B:Cys906 4.57 Fe SG B:Cys906 4.49 Fe SG B:Cys911 4.45 Fe S1 B:Fes502 2.23 Fe S2 B:Fes502 2.25 Fe FE1 B:Fes502 2.69 Fe FE2 B:Fes502 0.00 Fe O B:Hoh1173 3.23 interactive model: