Iron in the structure of Structure of the Ferredoxin From Clostridium Acidurici: Model At 1.8 Angstroms Resolution (pdb 1fca)

The binding sites of Iron atom in the structure of Structure of the Ferredoxin From Clostridium Acidurici: Model At 1.8 Angstroms Resolution (pdb code 1fca). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1fca structure was solved by D.TRANQUI, J.C.JESIOR, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 5.0-1.8 Space group P43212 a (A) 34.441 b (A) 34.441 c (A) 74.778 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 14.3 Rfree (%) n/a Iron Binding Sites: Iron binding site 1 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1fca. 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: Ile9, A: Ser10, A: Cys11, A: Gly12, A: Cys14, A: Tyr30, A: Cys47, A: Ala51, A: Sf456, conact list: Atom Atom Distance (A) Fe CG2 A:Ile4 4.56 Fe CB A:Cys8 3.38 Fe SG A:Cys8 2.31 Fe C A:Cys8 4.26 Fe CA A:Cys8 3.76 Fe N A:Ile9 4.06 Fe H A:Ile9 3.51 Fe C A:Ile9 4.99 Fe N A:Ser10 3.98 Fe H A:Ser10 3.19 Fe CA A:Ser10 4.38 Fe N A:Cys11 4.65 Fe H A:Cys11 3.86 Fe H A:Gly12 4.35 Fe SG A:Cys14 4.82 Fe CB A:Tyr30 4.58 Fe CD1 A:Tyr30 4.72 Fe CG A:Tyr30 4.81 Fe H A:Tyr30 4.23 Fe SG A:Cys47 4.71 Fe CB A:Ala51 4.86 Fe S1 A:Sf456 3.94 Fe FE1 A:Sf456 0.00 Fe FE3 A:Sf456 2.70 Fe S4 A:Sf456 2.30 Fe FE2 A:Sf456 2.79 Fe S2 A:Sf456 2.34 Fe FE4 A:Sf456 2.71 Fe S3 A:Sf456 2.32 interactive model: Iron binding site 2 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1fca. 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: Ile9, A: Ser10, A: Cys11, A: Gly12, A: Ala13, A: Cys14, A: Cys47, A: Pro48, A: Sf456, conact list: Atom Atom Distance (A) Fe SG A:Cys8 4.81 Fe H A:Ile9 4.32 Fe CG1 A:Ile9 4.84 Fe N A:Ser10 4.59 Fe H A:Ser10 4.29 Fe C A:Ser10 4.53 Fe CA A:Ser10 4.75 Fe N A:Cys11 3.51 Fe CB A:Cys11 3.48 Fe SG A:Cys11 2.31 Fe H A:Cys11 2.82 Fe C A:Cys11 4.16 Fe CA A:Cys11 3.90 Fe H A:Gly12 3.01 Fe N A:Gly12 3.68 Fe C A:Gly12 4.76 Fe CA A:Gly12 4.61 Fe N A:Ala13 4.12 Fe CB A:Ala13 4.90 Fe H A:Ala13 3.32 Fe N A:Cys14 4.86 Fe SG A:Cys14 4.72 Fe H A:Cys14 4.01 Fe SG A:Cys47 4.60 Fe CD A:Pro48 4.50 Fe CG A:Pro48 4.99 Fe S1 A:Sf456 2.32 Fe FE1 A:Sf456 2.79 Fe FE3 A:Sf456 2.79 Fe S4 A:Sf456 2.31 Fe FE2 A:Sf456 0.00 Fe S2 A:Sf456 4.01 Fe FE4 A:Sf456 2.73 Fe S3 A:Sf456 2.29 interactive model: Iron binding site 3 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1fca. 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: Gly12, A: Ala13, A: Cys14, A: Glu15, A: Tyr30, A: Cys47, A: Sf456, conact list: Atom Atom Distance (A) Fe CD1 A:Ile4 4.88 Fe SG A:Cys8 4.75 Fe SG A:Cys11 4.79 Fe H A:Gly12 4.21 Fe N A:Gly12 4.91 Fe N A:Ala13 4.78 Fe H A:Ala13 4.48 Fe N A:Cys14 3.96 Fe CB A:Cys14 3.29 Fe SG A:Cys14 2.30 Fe H A:Cys14 3.11 Fe CA A:Cys14 4.25 Fe H A:Glu15 4.77 Fe CB A:Tyr30 4.69 Fe CG A:Tyr30 4.78 Fe SG A:Cys47 4.79 Fe S1 A:Sf456 2.32 Fe FE1 A:Sf456 2.70 Fe FE3 A:Sf456 0.00 Fe S4 A:Sf456 2.35 Fe FE2 A:Sf456 2.79 Fe S2 A:Sf456 2.30 Fe FE4 A:Sf456 2.63 Fe S3 A:Sf456 3.89 interactive model: Iron binding site 4 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1fca. 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: Ile9, A: Cys11, A: Cys14, A: Cys47, A: Pro48, A: Val49, A: Ala51, A: Pro52, A: Sf456, conact list: Atom Atom Distance (A) Fe SG A:Cys8 4.86 Fe H A:Ile9 4.63 Fe SG A:Cys11 4.66 Fe SG A:Cys14 4.74 Fe H A:Cys14 4.86 Fe N A:Cys47 4.91 Fe CB A:Cys47 3.20 Fe SG A:Cys47 2.28 Fe C A:Cys47 4.60 Fe CA A:Cys47 3.78 Fe N A:Pro48 4.79 Fe CD A:Pro48 4.34 Fe CG2 A:Val49 4.46 Fe H A:Val49 4.36 Fe N A:Ala51 4.83 Fe CB A:Ala51 4.48 Fe H A:Ala51 3.95 Fe CD A:Pro52 4.42 Fe CG A:Pro52 4.77 Fe S1 A:Sf456 2.28 Fe FE1 A:Sf456 2.71 Fe FE3 A:Sf456 2.63 Fe S4 A:Sf456 3.86 Fe FE2 A:Sf456 2.73 Fe S2 A:Sf456 2.30 Fe FE4 A:Sf456 0.00 Fe S3 A:Sf456 2.34 interactive model: Iron binding site 5 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1fca. 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: Val20, A: Ala22, A: Ile23, A: Cys37, A: Ile38, A: Cys40, A: Cys43, A: Sf457, conact list: Atom Atom Distance (A) Fe CB A:Cys18 3.34 Fe SG A:Cys18 2.29 Fe C A:Cys18 4.57 Fe CA A:Cys18 3.85 Fe N A:Pro19 4.71 Fe CD A:Pro19 4.28 Fe CG2 A:Val20 4.46 Fe H A:Val20 4.24 Fe N A:Ala22 4.95 Fe CB A:Ala22 4.25 Fe H A:Ala22 4.14 Fe CD1 A:Ile23 4.56 Fe CG1 A:Ile23 4.62 Fe SG A:Cys37 4.87 Fe H A:Ile38 4.66 Fe SG A:Cys40 4.58 Fe SG A:Cys43 4.88 Fe H A:Cys43 4.72 Fe S1 A:Sf457 3.89 Fe FE1 A:Sf457 0.00 Fe FE3 A:Sf457 2.72 Fe S4 A:Sf457 2.32 Fe FE2 A:Sf457 2.68 Fe S2 A:Sf457 2.31 Fe FE4 A:Sf457 2.72 Fe S3 A:Sf457 2.32 interactive model: Iron binding site 6 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1fca. 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: Tyr2, A: Cys18, A: Ala22, A: Ile32, A: Cys37, A: Ile38, A: Asp39, A: Cys40, A: Gly41, A: Cys43, A: Sf457, conact list: Atom Atom Distance (A) Fe CB A:Tyr2 4.70 Fe CD1 A:Tyr2 4.93 Fe CG A:Tyr2 5.00 Fe H A:Tyr2 4.14 Fe SG A:Cys18 4.76 Fe CB A:Ala22 4.96 Fe CG2 A:Ile32 4.73 Fe CB A:Cys37 3.34 Fe SG A:Cys37 2.32 Fe C A:Cys37 4.25 Fe CA A:Cys37 3.73 Fe N A:Ile38 4.03 Fe H A:Ile38 3.44 Fe N A:Asp39 4.14 Fe H A:Asp39 3.37 Fe CA A:Asp39 4.69 Fe N A:Cys40 4.71 Fe SG A:Cys40 4.98 Fe H A:Cys40 3.90 Fe H A:Gly41 4.48 Fe SG A:Cys43 4.77 Fe S1 A:Sf457 2.31 Fe FE1 A:Sf457 2.68 Fe FE3 A:Sf457 2.73 Fe S4 A:Sf457 2.30 Fe FE2 A:Sf457 0.00 Fe S2 A:Sf457 3.89 Fe FE4 A:Sf457 2.71 Fe S3 A:Sf457 2.33 interactive model: Iron binding site 7 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 1fca. 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: Cys37, A: Ile38, A: Asp39, A: Cys40, A: Gly41, A: Ala42, A: Cys43, A: Sf457, conact list: Atom Atom Distance (A) Fe SG A:Cys18 4.67 Fe CD A:Pro19 4.35 Fe CG A:Pro19 4.75 Fe SG A:Cys37 4.75 Fe CD1 A:Ile38 4.54 Fe H A:Ile38 4.26 Fe N A:Asp39 4.65 Fe H A:Asp39 4.39 Fe C A:Asp39 4.55 Fe CA A:Asp39 4.89 Fe N A:Cys40 3.50 Fe CB A:Cys40 3.48 Fe SG A:Cys40 2.31 Fe H A:Cys40 2.80 Fe C A:Cys40 4.16 Fe CA A:Cys40 3.88 Fe H A:Gly41 3.11 Fe N A:Gly41 3.75 Fe C A:Gly41 4.83 Fe CA A:Gly41 4.70 Fe N A:Ala42 4.13 Fe CB A:Ala42 4.59 Fe H A:Ala42 3.32 Fe CA A:Ala42 4.92 Fe N A:Cys43 4.86 Fe SG A:Cys43 4.65 Fe H A:Cys43 3.90 Fe S1 A:Sf457 2.29 Fe FE1 A:Sf457 2.72 Fe FE3 A:Sf457 0.00 Fe S4 A:Sf457 2.31 Fe FE2 A:Sf457 2.73 Fe S2 A:Sf457 2.32 Fe FE4 A:Sf457 2.77 Fe S3 A:Sf457 3.97 interactive model: Iron binding site 8 out of 8 in 1fca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 1fca. 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: Tyr2, A: Cys18, A: Ile23, A: Ile32, A: Cys37, A: Cys40, A: Gly41, A: Ala42, A: Cys43, A: Ala44, A: Sf457, conact list: Atom Atom Distance (A) Fe CB A:Tyr2 4.77 Fe CG A:Tyr2 4.87 Fe SG A:Cys18 4.81 Fe CD1 A:Ile23 4.32 Fe CG1 A:Ile23 4.90 Fe CD1 A:Ile32 4.58 Fe SG A:Cys37 4.71 Fe SG A:Cys40 4.74 Fe H A:Gly41 4.19 Fe N A:Gly41 4.87 Fe N A:Ala42 4.72 Fe H A:Ala42 4.41 Fe N A:Cys43 3.88 Fe CB A:Cys43 3.25 Fe SG A:Cys43 2.29 Fe H A:Cys43 3.04 Fe CA A:Cys43 4.19 Fe H A:Ala44 4.66 Fe S1 A:Sf457 2.34 Fe FE1 A:Sf457 2.72 Fe FE3 A:Sf457 2.77 Fe S4 A:Sf457 3.94 Fe FE2 A:Sf457 2.71 Fe S2 A:Sf457 2.30 Fe FE4 A:Sf457 0.00 Fe S3 A:Sf457 2.30 interactive model: