Iron in the structure of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant (pdb 1r7s)

The binding sites of Iron atom in the structure of Putidaredoxin (FE2S2 Ferredoxin), C73G Mutant (pdb code 1r7s). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1r7s structure was solved by N.SMITH, M.MAYHEW, H.KELLY, H.ROBINSON, A.HEROUX, M.J.HOLDEN, D.T.GALLAGHER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.9 Space group C121 a (A) 145.076 b (A) 78.218 c (A) 55.739 alpha (°) 90.00 beta (°) 111.33 gamma (°) 90.00 Rfactor (%) 18.8 Rfree (%) 21.1 Iron Binding Sites: Iron binding site 1 out of 6 in 1r7s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1r7s. 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: Gly37, A: Asp38, A: Cys39, A: Gly40, A: Gly41, A: Ser42, A: Ala43, A: Ser44, A: Cys45, A: Ala46, A: Thr47, A: Cys48, A: Cys86, A: Fes117, conact list: Atom Atom Distance (A) Fe C A:Gly37 4.68 Fe CA A:Gly37 4.81 Fe N A:Asp38 4.68 Fe C A:Asp38 4.97 Fe N A:Cys39 3.82 Fe CB A:Cys39 3.40 Fe SG A:Cys39 2.35 Fe C A:Cys39 4.49 Fe CA A:Cys39 4.08 Fe N A:Gly40 4.46 Fe N A:Gly41 4.15 Fe CA A:Gly41 4.59 Fe N A:Ser42 4.73 Fe N A:Ala43 4.43 Fe C A:Ala43 4.93 Fe CA A:Ala43 4.66 Fe N A:Ser44 4.14 Fe C A:Ser44 4.52 Fe CA A:Ser44 4.85 Fe N A:Cys45 3.61 Fe CB A:Cys45 3.61 Fe SG A:Cys45 2.36 Fe C A:Cys45 4.51 Fe CA A:Cys45 4.04 Fe N A:Ala46 4.18 Fe N A:Thr47 4.65 Fe OG1 A:Thr47 4.80 Fe SG A:Cys48 4.59 Fe SG A:Cys86 4.44 Fe S1 A:Fes117 2.17 Fe S2 A:Fes117 2.25 Fe FE1 A:Fes117 0.00 Fe FE2 A:Fes117 2.71 interactive model: Iron binding site 2 out of 6 in 1r7s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1r7s. 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: Cys39, A: Gly41, A: Ala43, A: Cys45, A: Cys48, A: Leu84, A: Cys86, A: Fes117, conact list: Atom Atom Distance (A) Fe SG A:Cys39 4.54 Fe N A:Gly41 4.72 Fe C A:Gly41 4.91 Fe CA A:Gly41 4.42 Fe N A:Ala43 4.61 Fe CA A:Ala43 4.75 Fe SG A:Cys45 4.51 Fe N A:Cys48 4.44 Fe CB A:Cys48 3.43 Fe SG A:Cys48 2.32 Fe CA A:Cys48 4.54 Fe CB A:Leu84 4.39 Fe N A:Cys86 4.17 Fe CB A:Cys86 3.26 Fe SG A:Cys86 2.33 Fe CA A:Cys86 4.33 Fe S1 A:Fes117 2.23 Fe S2 A:Fes117 2.16 Fe FE1 A:Fes117 2.71 Fe FE2 A:Fes117 0.00 interactive model: Iron binding site 3 out of 6 in 1r7s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1r7s. 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: Gly37, B: Asp38, B: Cys39, B: Gly40, B: Gly41, B: Ser42, B: Ala43, B: Ser44, B: Cys45, B: Ala46, B: Thr47, B: Cys48, B: Cys86, B: Fes127, conact list: Atom Atom Distance (A) Fe O B:Gly37 4.99 Fe C B:Gly37 4.66 Fe CA B:Gly37 4.80 Fe N B:Asp38 4.71 Fe C B:Asp38 4.87 Fe N B:Cys39 3.71 Fe CB B:Cys39 3.45 Fe SG B:Cys39 2.34 Fe C B:Cys39 4.51 Fe CA B:Cys39 4.03 Fe N B:Gly40 4.49 Fe N B:Gly41 4.17 Fe CA B:Gly41 4.55 Fe N B:Ser42 4.59 Fe N B:Ala43 4.42 Fe C B:Ala43 4.90 Fe CA B:Ala43 4.70 Fe N B:Ser44 4.11 Fe C B:Ser44 4.54 Fe CA B:Ser44 4.87 Fe N B:Cys45 3.60 Fe CB B:Cys45 3.56 Fe SG B:Cys45 2.34 Fe C B:Cys45 4.50 Fe CA B:Cys45 4.01 Fe N B:Ala46 4.19 Fe N B:Thr47 4.75 Fe OG1 B:Thr47 4.61 Fe SG B:Cys48 4.61 Fe SG B:Cys86 4.46 Fe S1 B:Fes127 2.25 Fe S2 B:Fes127 2.22 Fe FE1 B:Fes127 0.00 Fe FE2 B:Fes127 2.72 interactive model: Iron binding site 4 out of 6 in 1r7s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1r7s. 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: Cys39, B: Gly41, B: Ala43, B: Cys45, B: Cys48, B: Leu84, B: Cys86, B: Fes127, conact list: Atom Atom Distance (A) Fe SG B:Cys39 4.54 Fe N B:Gly41 4.67 Fe C B:Gly41 4.89 Fe CA B:Gly41 4.31 Fe N B:Ala43 4.58 Fe CA B:Ala43 4.74 Fe SG B:Cys45 4.50 Fe N B:Cys48 4.44 Fe CB B:Cys48 3.45 Fe SG B:Cys48 2.32 Fe CA B:Cys48 4.54 Fe CB B:Leu84 4.39 Fe CD1 B:Leu84 4.86 Fe N B:Cys86 4.18 Fe CB B:Cys86 3.25 Fe SG B:Cys86 2.33 Fe CA B:Cys86 4.31 Fe S1 B:Fes127 2.20 Fe S2 B:Fes127 2.24 Fe FE1 B:Fes127 2.72 Fe FE2 B:Fes127 0.00 interactive model: Iron binding site 5 out of 6 in 1r7s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1r7s. 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: Gly37, C: Asp38, C: Cys39, C: Gly40, C: Gly41, C: Ser42, C: Ala43, C: Ser44, C: Cys45, C: Ala46, C: Thr47, C: Cys48, C: Cys86, C: Fes137, conact list: Atom Atom Distance (A) Fe O C:Gly37 4.94 Fe C C:Gly37 4.65 Fe CA C:Gly37 4.81 Fe N C:Asp38 4.73 Fe C C:Asp38 4.95 Fe N C:Cys39 3.79 Fe CB C:Cys39 3.48 Fe SG C:Cys39 2.32 Fe C C:Cys39 4.54 Fe CA C:Cys39 4.09 Fe N C:Gly40 4.56 Fe N C:Gly41 4.17 Fe CA C:Gly41 4.53 Fe N C:Ser42 4.62 Fe N C:Ala43 4.46 Fe C C:Ala43 4.92 Fe CA C:Ala43 4.74 Fe N C:Ser44 4.09 Fe C C:Ser44 4.44 Fe CA C:Ser44 4.81 Fe N C:Cys45 3.53 Fe CB C:Cys45 3.61 Fe SG C:Cys45 2.28 Fe C C:Cys45 4.45 Fe CA C:Cys45 4.00 Fe N C:Ala46 4.13 Fe N C:Thr47 4.69 Fe OG1 C:Thr47 4.73 Fe SG C:Cys48 4.67 Fe SG C:Cys86 4.44 Fe S1 C:Fes137 2.27 Fe S2 C:Fes137 2.21 Fe FE1 C:Fes137 0.00 Fe FE2 C:Fes137 2.71 interactive model: Iron binding site 6 out of 6 in 1r7s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1r7s. 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: Met24, C: Cys39, C: Gly41, C: Ala43, C: Cys45, C: Cys48, C: Leu84, C: Cys86, C: Fes137, conact list: Atom Atom Distance (A) Fe CG C:Met24 4.90 Fe SG C:Cys39 4.51 Fe N C:Gly41 4.73 Fe C C:Gly41 4.91 Fe CA C:Gly41 4.35 Fe N C:Ala43 4.59 Fe CA C:Ala43 4.73 Fe SG C:Cys45 4.48 Fe N C:Cys48 4.48 Fe CB C:Cys48 3.42 Fe SG C:Cys48 2.36 Fe CA C:Cys48 4.57 Fe CB C:Leu84 4.37 Fe CD1 C:Leu84 4.83 Fe CD2 C:Leu84 5.00 Fe N C:Cys86 4.21 Fe CB C:Cys86 3.19 Fe SG C:Cys86 2.33 Fe CA C:Cys86 4.30 Fe S1 C:Fes137 2.25 Fe S2 C:Fes137 2.23 Fe FE1 C:Fes137 2.71 Fe FE2 C:Fes137 0.00 interactive model: