Iron in the structure of Acetylene Hydratase From Pelobacter Acetylenicus (pdb 2e7z)

The binding sites of Iron atom in the structure of Acetylene Hydratase From Pelobacter Acetylenicus (pdb code 2e7z). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2e7z structure was solved by O.EINSLE, P.M.H.KRONECK, G.B.SEIFFERT, A.MESSERSCHMIDT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.6-1.3 Space group C121 a (A) 120.776 b (A) 71.971 c (A) 106.760 alpha (°) 90.00 beta (°) 124.26 gamma (°) 90.00 Rfactor (%) 16 Rfree (%) 19.5 Iron Binding Sites: Iron binding site 1 out of 4 in 2e7z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2e7z. 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: Cys9, A: Cys12, A: Cys16, A: Ile45, A: Cys46, A: Lys48, A: Ser49, A: Val180, A: Sf4800, A: Hoh1044, conact list: Atom Atom Distance (A) Fe SG A:Cys9 4.79 Fe SG A:Cys12 4.70 Fe SG A:Cys16 4.80 Fe C A:Ile45 4.81 Fe O A:Cys46 4.91 Fe N A:Cys46 3.85 Fe CB A:Cys46 3.34 Fe SG A:Cys46 2.30 Fe C A:Cys46 4.75 Fe CA A:Cys46 4.15 Fe CB A:Lys48 4.89 Fe CE A:Lys48 4.59 Fe NZ A:Lys48 4.31 Fe N A:Ser49 4.63 Fe CB A:Ser49 4.39 Fe CG1 A:Val180 4.22 Fe CG1 A:Val180 4.76 Fe S1 A:Sf4800 2.32 Fe FE1 A:Sf4800 0.00 Fe FE3 A:Sf4800 2.69 Fe S4 A:Sf4800 3.89 Fe FE2 A:Sf4800 2.69 Fe S2 A:Sf4800 2.26 Fe FE4 A:Sf4800 2.72 Fe S3 A:Sf4800 2.32 Fe O A:Hoh1044 4.49 interactive model: Iron binding site 2 out of 4 in 2e7z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2e7z. 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: Cys9, A: Ser11, A: Cys12, A: Cys16, A: Cys46, A: Ser49, A: Sf4800, conact list: Atom Atom Distance (A) Fe O A:Cys9 4.48 Fe CB A:Cys9 3.22 Fe SG A:Cys9 2.30 Fe C A:Cys9 4.49 Fe CA A:Cys9 4.45 Fe N A:Ser11 4.45 Fe CB A:Ser11 4.29 Fe C A:Ser11 4.77 Fe CA A:Ser11 4.71 Fe N A:Cys12 4.31 Fe SG A:Cys12 4.83 Fe CB A:Cys16 4.76 Fe SG A:Cys16 4.70 Fe SG A:Cys46 4.59 Fe N A:Ser49 4.84 Fe CB A:Ser49 3.82 Fe OG A:Ser49 4.14 Fe CA A:Ser49 4.74 Fe S1 A:Sf4800 2.26 Fe FE1 A:Sf4800 2.69 Fe FE3 A:Sf4800 2.71 Fe S4 A:Sf4800 2.29 Fe FE2 A:Sf4800 0.00 Fe S2 A:Sf4800 2.31 Fe FE4 A:Sf4800 2.69 Fe S3 A:Sf4800 3.90 interactive model: Iron binding site 3 out of 4 in 2e7z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2e7z. 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: Cys9, A: Cys12, A: Ile14, A: Asn15, A: Cys16, A: Cys46, A: Val180, A: Ser181, A: Sf4800, conact list: Atom Atom Distance (A) Fe CB A:Cys9 4.89 Fe SG A:Cys9 4.76 Fe SG A:Cys12 4.68 Fe CG2 A:Ile14 3.79 Fe N A:Asn15 4.93 Fe N A:Cys16 3.94 Fe CB A:Cys16 3.23 Fe SG A:Cys16 2.30 Fe CA A:Cys16 4.22 Fe SG A:Cys46 4.94 Fe N A:Val180 4.77 Fe CG1 A:Val180 4.07 Fe CG1 A:Val180 4.21 Fe N A:Ser181 4.97 Fe OG A:Ser181 4.75 Fe S1 A:Sf4800 3.89 Fe FE1 A:Sf4800 2.69 Fe FE3 A:Sf4800 0.00 Fe S4 A:Sf4800 2.31 Fe FE2 A:Sf4800 2.71 Fe S2 A:Sf4800 2.31 Fe FE4 A:Sf4800 2.68 Fe S3 A:Sf4800 2.28 interactive model: Iron binding site 4 out of 4 in 2e7z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2e7z. 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: Cys9, A: Ser11, A: Cys12, A: Asp13, A: Ile14, A: Asn15, A: Cys16, A: Cys46, A: Lys48, A: Trp179, A: Sf4800, A: Hoh1044, conact list: Atom Atom Distance (A) Fe SG A:Cys9 4.74 Fe C A:Ser11 4.57 Fe O A:Cys12 4.23 Fe N A:Cys12 3.72 Fe CB A:Cys12 3.30 Fe SG A:Cys12 2.28 Fe C A:Cys12 4.14 Fe CA A:Cys12 3.87 Fe N A:Asp13 4.84 Fe N A:Ile14 4.85 Fe CG2 A:Ile14 3.93 Fe N A:Asn15 4.89 Fe SG A:Cys16 4.76 Fe SG A:Cys46 4.64 Fe CE A:Lys48 4.74 Fe NZ A:Lys48 4.99 Fe CD1 A:Trp179 4.85 Fe S1 A:Sf4800 2.31 Fe FE1 A:Sf4800 2.72 Fe FE3 A:Sf4800 2.68 Fe S4 A:Sf4800 2.26 Fe FE2 A:Sf4800 2.69 Fe S2 A:Sf4800 3.89 Fe FE4 A:Sf4800 0.00 Fe S3 A:Sf4800 2.32 Fe O A:Hoh1044 3.89 interactive model: