Iron in the structure of Crystal Structure of the Ferredoxin From Thauera Aromatica (pdb 1rgv)

The binding sites of Iron atom in the structure of Crystal Structure of the Ferredoxin From Thauera Aromatica (pdb code 1rgv). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1rgv structure was solved by M.UNCIULEAC, M.BOLL, E.WARKENTIN, U.ERMLER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.9-2.9 Space group P3121 a (A) 79.000 b (A) 79.000 c (A) 49.300 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.7 Rfree (%) 21.9 Iron Binding Sites: Iron binding site 1 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1rgv. 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: Cys11, A: Cys53, A: Pro54, A: Ala55, A: Cys57, A: Ile58, A: Sf4101, conact list: Atom Atom Distance (A) Fe SG A:Cys11 4.68 Fe N A:Cys53 4.97 Fe CB A:Cys53 3.24 Fe SG A:Cys53 2.50 Fe C A:Cys53 4.44 Fe CA A:Cys53 3.77 Fe N A:Pro54 4.45 Fe CD A:Pro54 4.06 Fe CG A:Pro54 4.89 Fe N A:Ala55 4.63 Fe CB A:Ala55 4.69 Fe SG A:Cys57 3.62 Fe CD1 A:Ile58 4.65 Fe CG1 A:Ile58 4.87 Fe S1 A:Sf4101 3.93 Fe FE1 A:Sf4101 0.00 Fe FE3 A:Sf4101 2.69 Fe S4 A:Sf4101 2.32 Fe FE2 A:Sf4101 2.84 Fe S2 A:Sf4101 2.19 Fe FE4 A:Sf4101 2.72 Fe S3 A:Sf4101 2.40 interactive model: Iron binding site 2 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1rgv. 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: Ile4, A: Cys8, A: Cys11, A: Asp12, A: Ala13, A: Cys14, A: Tyr30, A: Sf4101, conact list: Atom Atom Distance (A) Fe CD1 A:Ile4 5.00 Fe SG A:Cys8 4.81 Fe SG A:Cys11 4.81 Fe N A:Asp12 4.90 Fe N A:Ala13 4.93 Fe N A:Cys14 4.11 Fe CB A:Cys14 3.31 Fe SG A:Cys14 2.51 Fe CA A:Cys14 4.35 Fe CD2 A:Tyr30 4.82 Fe S1 A:Sf4101 2.25 Fe FE1 A:Sf4101 2.84 Fe FE3 A:Sf4101 2.73 Fe S4 A:Sf4101 2.30 Fe FE2 A:Sf4101 0.00 Fe S2 A:Sf4101 3.69 Fe FE4 A:Sf4101 2.71 Fe S3 A:Sf4101 2.17 interactive model: Iron binding site 3 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1rgv. 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: Ile4, A: Cys8, A: Thr9, A: Ala10, A: Cys11, A: Tyr30, A: Cys53, A: Cys57, A: Sf4101, conact list: Atom Atom Distance (A) Fe CG2 A:Ile4 4.46 Fe CB A:Cys8 3.44 Fe SG A:Cys8 2.48 Fe C A:Cys8 4.29 Fe CA A:Cys8 3.72 Fe N A:Thr9 3.94 Fe N A:Ala10 4.04 Fe CA A:Ala10 4.59 Fe N A:Cys11 4.85 Fe CB A:Tyr30 4.91 Fe SG A:Cys53 4.93 Fe SG A:Cys57 3.81 Fe S1 A:Sf4101 2.29 Fe FE1 A:Sf4101 2.69 Fe FE3 A:Sf4101 0.00 Fe S4 A:Sf4101 2.13 Fe FE2 A:Sf4101 2.73 Fe S2 A:Sf4101 2.12 Fe FE4 A:Sf4101 2.78 Fe S3 A:Sf4101 3.84 interactive model: Iron binding site 4 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1rgv. 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: Cys8, A: Thr9, A: Ala10, A: Cys11, A: Asp12, A: Ala13, A: Cys14, A: Pro54, A: Sf4101, conact list: Atom Atom Distance (A) Fe SG A:Cys8 4.77 Fe N A:Thr9 4.86 Fe N A:Ala10 4.35 Fe C A:Ala10 4.44 Fe CA A:Ala10 4.63 Fe N A:Cys11 3.43 Fe CB A:Cys11 3.65 Fe SG A:Cys11 2.47 Fe C A:Cys11 4.22 Fe CA A:Cys11 3.94 Fe N A:Asp12 3.87 Fe C A:Asp12 4.96 Fe CA A:Asp12 4.79 Fe N A:Ala13 4.35 Fe CB A:Ala13 4.86 Fe N A:Cys14 4.99 Fe SG A:Cys14 4.88 Fe CD A:Pro54 4.29 Fe CG A:Pro54 4.73 Fe S1 A:Sf4101 2.38 Fe FE1 A:Sf4101 2.72 Fe FE3 A:Sf4101 2.78 Fe S4 A:Sf4101 3.82 Fe FE2 A:Sf4101 2.71 Fe S2 A:Sf4101 2.08 Fe FE4 A:Sf4101 0.00 Fe S3 A:Sf4101 2.23 interactive model: Iron binding site 5 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1rgv. 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: Cys18, A: Pro19, A: Asn20, A: Ala22, A: Ile23, A: Cys40, A: Sf4102, conact list: Atom Atom Distance (A) Fe N A:Cys18 4.91 Fe CB A:Cys18 3.26 Fe SG A:Cys18 2.43 Fe C A:Cys18 4.51 Fe CA A:Cys18 3.78 Fe N A:Pro19 4.51 Fe CD A:Pro19 4.01 Fe CG A:Pro19 4.84 Fe N A:Asn20 4.76 Fe CB A:Asn20 4.96 Fe N A:Ala22 4.77 Fe CB A:Ala22 4.13 Fe CG1 A:Ile23 4.97 Fe SG A:Cys40 4.93 Fe S1 A:Sf4102 3.93 Fe FE1 A:Sf4102 0.00 Fe FE3 A:Sf4102 2.69 Fe S4 A:Sf4102 2.32 Fe FE2 A:Sf4102 2.83 Fe S2 A:Sf4102 2.20 Fe FE4 A:Sf4102 2.74 Fe S3 A:Sf4102 2.41 interactive model: Iron binding site 6 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1rgv. 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: Leu2, A: Cys18, A: Ile23, A: Cys37, A: Cys40, A: Pro47, A: Gln48, A: Cys49, A: Sf4102, conact list: Atom Atom Distance (A) Fe CD1 A:Leu2 4.95 Fe CB A:Cys18 4.94 Fe SG A:Cys18 4.93 Fe CD1 A:Ile23 4.64 Fe SG A:Cys37 4.90 Fe SG A:Cys40 4.68 Fe CB A:Pro47 4.73 Fe N A:Gln48 4.89 Fe N A:Cys49 4.02 Fe CB A:Cys49 3.33 Fe SG A:Cys49 2.56 Fe CA A:Cys49 4.31 Fe S1 A:Sf4102 2.25 Fe FE1 A:Sf4102 2.83 Fe FE3 A:Sf4102 2.74 Fe S4 A:Sf4102 2.30 Fe FE2 A:Sf4102 0.00 Fe S2 A:Sf4102 3.69 Fe FE4 A:Sf4102 2.71 Fe S3 A:Sf4102 2.18 interactive model: Iron binding site 7 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 1rgv. 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: Cys18, A: Ala22, A: Cys37, A: Ser38, A: Glu39, A: Cys40, A: Sf4102, conact list: Atom Atom Distance (A) Fe SG A:Cys18 4.97 Fe CB A:Ala22 4.78 Fe CB A:Cys37 3.40 Fe SG A:Cys37 2.50 Fe C A:Cys37 4.31 Fe CA A:Cys37 3.77 Fe N A:Ser38 4.27 Fe N A:Glu39 3.89 Fe C A:Glu39 4.70 Fe CA A:Glu39 4.12 Fe N A:Cys40 4.47 Fe S1 A:Sf4102 2.30 Fe FE1 A:Sf4102 2.69 Fe FE3 A:Sf4102 0.00 Fe S4 A:Sf4102 2.14 Fe FE2 A:Sf4102 2.74 Fe S2 A:Sf4102 2.12 Fe FE4 A:Sf4102 2.79 Fe S3 A:Sf4102 3.85 interactive model: Iron binding site 8 out of 8 in 1rgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 1rgv. 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: Cys18, A: Pro19, A: Glu39, A: Cys40, A: Pro47, A: Gln48, A: Cys49, A: Sf4102, conact list: Atom Atom Distance (A) Fe SG A:Cys18 4.90 Fe CD A:Pro19 4.14 Fe CG A:Pro19 4.62 Fe O A:Glu39 4.65 Fe N A:Glu39 4.55 Fe C A:Glu39 3.93 Fe CA A:Glu39 4.33 Fe N A:Cys40 3.32 Fe CB A:Cys40 3.53 Fe SG A:Cys40 2.51 Fe CA A:Cys40 3.65 Fe CB A:Pro47 4.59 Fe C A:Pro47 4.87 Fe CA A:Pro47 4.42 Fe N A:Gln48 4.40 Fe SG A:Cys49 4.92 Fe S1 A:Sf4102 2.38 Fe FE1 A:Sf4102 2.74 Fe FE3 A:Sf4102 2.79 Fe S4 A:Sf4102 3.83 Fe FE2 A:Sf4102 2.71 Fe S2 A:Sf4102 2.09 Fe FE4 A:Sf4102 0.00 Fe S3 A:Sf4102 2.23 interactive model: