Iron in the structure of Structure of Human Ferrochelatase Variant E343K With Protoporphyrin IX Bound (pdb 2hre)

The binding sites of Iron atom in the structure of Structure of Human Ferrochelatase Variant E343K With Protoporphyrin IX Bound (pdb code 2hre). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2hre 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) 43.7-2.5 Space group P1 a (A) 61.952 b (A) 88.388 c (A) 93.253 alpha (°) 102.41 beta (°) 109.34 gamma (°) 105.58 Rfactor (%) 21.6 Rfree (%) 27.9 Iron Binding Sites: Iron binding site 1 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2hre. 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: Val407, A: Asn408, A: Cys411, A: Fes501, conact list: Atom Atom Distance (A) Fe SG A:Cys196 4.33 Fe CB A:Ser402 4.74 Fe N A:Cys403 4.66 Fe CB A:Cys403 4.62 Fe SG A:Cys403 4.75 Fe CB A:Cys406 3.39 Fe SG A:Cys406 2.40 Fe CA A:Cys406 4.37 Fe N A:Val407 4.99 Fe O A:Asn408 4.48 Fe N A:Asn408 4.71 Fe CB A:Asn408 4.16 Fe CA A:Asn408 4.94 Fe CB A:Cys411 3.07 Fe SG A:Cys411 2.39 Fe CA A:Cys411 4.54 Fe S1 A:Fes501 2.25 Fe S2 A:Fes501 2.26 Fe FE1 A:Fes501 0.00 Fe FE2 A:Fes501 2.71 interactive model: Iron binding site 2 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2hre. 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: Hoh625, conact list: Atom Atom Distance (A) Fe CB A:Cys196 3.40 Fe SG A:Cys196 2.17 Fe CA A:Cys196 4.73 Fe C A:Ser402 4.88 Fe N A:Cys403 3.73 Fe CB A:Cys403 3.22 Fe SG A:Cys403 2.40 Fe CA A:Cys403 4.08 Fe CB A:Cys406 4.58 Fe SG A:Cys406 4.58 Fe SG A:Cys411 4.52 Fe S1 A:Fes501 2.26 Fe S2 A:Fes501 2.25 Fe FE1 A:Fes501 2.71 Fe FE2 A:Fes501 0.00 Fe O A:Hoh625 3.87 interactive model: Iron binding site 3 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2hre. 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: Cys196, B: Arg272, B: Ser402, B: Cys403, B: Cys406, B: Asn408, B: Cys411, B: Fes502, B: Hoh719, B: Hoh735, conact list: Atom Atom Distance (A) Fe SG B:Cys196 4.51 Fe CZ B:Arg272 3.81 Fe NE B:Arg272 4.36 Fe NH2 B:Arg272 3.20 Fe NH1 B:Arg272 4.42 Fe CB B:Ser402 4.62 Fe OG B:Ser402 4.83 Fe N B:Cys403 4.64 Fe CB B:Cys403 4.71 Fe SG B:Cys403 4.84 Fe CB B:Cys406 3.47 Fe SG B:Cys406 2.52 Fe CA B:Cys406 4.41 Fe O B:Asn408 4.57 Fe N B:Asn408 4.73 Fe CB B:Asn408 4.13 Fe CA B:Asn408 4.94 Fe CB B:Cys411 3.16 Fe SG B:Cys411 2.35 Fe CA B:Cys411 4.59 Fe S1 B:Fes502 2.26 Fe S2 B:Fes502 2.25 Fe FE1 B:Fes502 0.00 Fe FE2 B:Fes502 2.71 Fe O B:Hoh719 4.86 Fe O B:Hoh735 4.60 interactive model: Iron binding site 4 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2hre. 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: Cys196, B: Arg272, B: Ser402, B: Cys403, B: Cys406, B: Cys411, B: Fes502, B: Hoh735, B: Hoh761, conact list: Atom Atom Distance (A) Fe CB B:Cys196 3.62 Fe SG B:Cys196 2.26 Fe CA B:Cys196 4.87 Fe CZ B:Arg272 4.74 Fe NE B:Arg272 4.72 Fe NH2 B:Arg272 4.86 Fe C B:Ser402 4.87 Fe N B:Cys403 3.80 Fe CB B:Cys403 3.41 Fe SG B:Cys403 2.60 Fe CA B:Cys403 4.22 Fe CB B:Cys406 4.70 Fe SG B:Cys406 4.71 Fe SG B:Cys411 4.50 Fe S1 B:Fes502 2.25 Fe S2 B:Fes502 2.25 Fe FE1 B:Fes502 2.71 Fe FE2 B:Fes502 0.00 Fe O B:Hoh735 4.72 Fe O B:Hoh761 3.84 interactive model: Iron binding site 5 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 2hre. 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: C: Cys196, C: Ser402, C: Cys403, C: Cys406, C: Asn408, C: Cys411, C: Fes503, C: Hoh678, conact list: Atom Atom Distance (A) Fe SG C:Cys196 4.38 Fe CB C:Ser402 4.78 Fe N C:Cys403 4.62 Fe CB C:Cys403 4.63 Fe SG C:Cys403 4.82 Fe CB C:Cys406 3.35 Fe SG C:Cys406 2.46 Fe C C:Cys406 4.95 Fe CA C:Cys406 4.21 Fe O C:Asn408 4.38 Fe N C:Asn408 4.75 Fe CB C:Asn408 4.35 Fe N C:Cys411 4.95 Fe CB C:Cys411 3.20 Fe SG C:Cys411 2.52 Fe CA C:Cys411 4.59 Fe S1 C:Fes503 2.25 Fe S2 C:Fes503 2.26 Fe FE1 C:Fes503 0.00 Fe FE2 C:Fes503 2.71 Fe O C:Hoh678 4.82 interactive model: Iron binding site 6 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 2hre. 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: C: Cys196, C: Ser402, C: Cys403, C: Cys406, C: Cys411, C: Fes503, C: Hoh650, C: Hoh695, conact list: Atom Atom Distance (A) Fe CB C:Cys196 3.66 Fe SG C:Cys196 2.37 Fe CA C:Cys196 4.97 Fe C C:Ser402 4.73 Fe N C:Cys403 3.57 Fe CB C:Cys403 3.06 Fe SG C:Cys403 2.37 Fe CA C:Cys403 3.93 Fe CB C:Cys406 4.41 Fe SG C:Cys406 4.58 Fe CB C:Cys411 4.99 Fe SG C:Cys411 4.74 Fe S1 C:Fes503 2.26 Fe S2 C:Fes503 2.25 Fe FE1 C:Fes503 2.71 Fe FE2 C:Fes503 0.00 Fe O C:Hoh650 3.93 Fe O C:Hoh695 3.63 interactive model: Iron binding site 7 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 2hre. 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: D: Cys196, D: Ser402, D: Cys403, D: Cys406, D: Val407, D: Asn408, D: Cys411, D: Fes504, conact list: Atom Atom Distance (A) Fe SG D:Cys196 4.60 Fe CB D:Ser402 4.68 Fe N D:Cys403 4.66 Fe CB D:Cys403 4.65 Fe SG D:Cys403 4.98 Fe CB D:Cys406 3.30 Fe SG D:Cys406 2.42 Fe C D:Cys406 4.92 Fe CA D:Cys406 4.21 Fe N D:Val407 4.91 Fe O D:Asn408 4.49 Fe N D:Asn408 4.59 Fe CB D:Asn408 4.02 Fe CG D:Asn408 4.99 Fe CA D:Asn408 4.82 Fe CB D:Cys411 3.29 Fe SG D:Cys411 2.41 Fe CA D:Cys411 4.72 Fe S1 D:Fes504 2.25 Fe S2 D:Fes504 2.26 Fe FE1 D:Fes504 0.00 Fe FE2 D:Fes504 2.71 interactive model: Iron binding site 8 out of 8 in 2hre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 2hre. 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: D: Cys196, D: Arg272, D: Ser402, D: Cys403, D: Cys406, D: Cys411, D: Fes504, conact list: Atom Atom Distance (A) Fe CB D:Cys196 3.45 Fe SG D:Cys196 2.26 Fe CA D:Cys196 4.76 Fe NH1 D:Arg272 4.14 Fe C D:Ser402 4.88 Fe N D:Cys403 3.78 Fe CB D:Cys403 3.43 Fe SG D:Cys403 2.80 Fe CA D:Cys403 4.21 Fe CB D:Cys406 4.72 Fe SG D:Cys406 4.76 Fe SG D:Cys411 4.41 Fe S1 D:Fes504 2.26 Fe S2 D:Fes504 2.26 Fe FE1 D:Fes504 2.71 Fe FE2 D:Fes504 0.00 interactive model: