Iron in the structure of Crystal Structure Of P47S Mutant of Ferredoxin I (pdb 1g6b)

The binding sites of Iron atom in the structure of Crystal Structure Of P47S Mutant of Ferredoxin I (pdb code 1g6b). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1g6b structure was solved by C.D.STOUT, B.K.BURGESS, C.A.BONAGURA, Y.S.JUNG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.0-1.9 Space group P41212 a (A) 54.970 b (A) 54.970 c (A) 92.110 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 24 Rfree (%) 26.6 Iron Binding Sites: Iron binding site 1 out of 7 in 1g6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1g6b. 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: Phe2, A: Cys20, A: Cys24, A: Ile34, A: Cys39, A: Ile40, A: Asp41, A: Cys42, A: Cys45, A: Sf4107, conact list: Atom Atom Distance (A) Fe N A:Phe2 4.82 Fe CB A:Phe2 4.49 Fe CD1 A:Phe2 4.72 Fe CG A:Phe2 4.85 Fe SG A:Cys20 4.88 Fe SG A:Cys24 3.95 Fe CG2 A:Ile34 4.57 Fe CB A:Cys39 3.38 Fe SG A:Cys39 2.32 Fe C A:Cys39 4.33 Fe CA A:Cys39 3.84 Fe N A:Ile40 4.07 Fe C A:Ile40 4.99 Fe N A:Asp41 4.04 Fe CA A:Asp41 4.53 Fe N A:Cys42 4.63 Fe SG A:Cys42 4.94 Fe SG A:Cys45 4.87 Fe S1 A:Sf4107 3.92 Fe FE1 A:Sf4107 0.00 Fe FE3 A:Sf4107 2.73 Fe S4 A:Sf4107 2.38 Fe FE2 A:Sf4107 2.78 Fe S2 A:Sf4107 2.26 Fe FE4 A:Sf4107 2.70 Fe S3 A:Sf4107 2.33 interactive model: Iron binding site 2 out of 7 in 1g6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1g6b. 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: Cys20, A: Pro21, A: Cys39, A: Ile40, A: Asp41, A: Cys42, A: Ala43, A: Leu44, A: Cys45, A: Sf4107, conact list: Atom Atom Distance (A) Fe SG A:Cys20 4.79 Fe CD A:Pro21 4.24 Fe CG A:Pro21 4.83 Fe SG A:Cys39 4.79 Fe CG1 A:Ile40 4.90 Fe N A:Asp41 4.68 Fe C A:Asp41 4.60 Fe CA A:Asp41 4.89 Fe N A:Cys42 3.54 Fe CB A:Cys42 3.57 Fe SG A:Cys42 2.28 Fe C A:Cys42 4.09 Fe CA A:Cys42 3.92 Fe N A:Ala43 3.75 Fe C A:Ala43 4.76 Fe CA A:Ala43 4.56 Fe N A:Leu44 4.12 Fe CB A:Leu44 4.81 Fe N A:Cys45 4.77 Fe SG A:Cys45 4.78 Fe S1 A:Sf4107 2.30 Fe FE1 A:Sf4107 2.78 Fe FE3 A:Sf4107 2.76 Fe S4 A:Sf4107 2.31 Fe FE2 A:Sf4107 0.00 Fe S2 A:Sf4107 3.90 Fe FE4 A:Sf4107 2.78 Fe S3 A:Sf4107 2.26 interactive model: Iron binding site 3 out of 7 in 1g6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1g6b. 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: Phe2, A: Cys20, A: Phe25, A: Ile34, A: Cys39, A: Cys42, A: Ala43, A: Leu44, A: Cys45, A: Sf4107, conact list: Atom Atom Distance (A) Fe CB A:Phe2 4.47 Fe CG A:Phe2 4.68 Fe SG A:Cys20 4.86 Fe CZ A:Phe25 4.41 Fe CE1 A:Phe25 4.46 Fe CD1 A:Ile34 4.55 Fe SG A:Cys39 4.76 Fe SG A:Cys42 4.73 Fe N A:Ala43 4.93 Fe N A:Leu44 4.76 Fe N A:Cys45 3.96 Fe CB A:Cys45 3.26 Fe SG A:Cys45 2.33 Fe CA A:Cys45 4.20 Fe S1 A:Sf4107 2.32 Fe FE1 A:Sf4107 2.73 Fe FE3 A:Sf4107 0.00 Fe S4 A:Sf4107 2.30 Fe FE2 A:Sf4107 2.76 Fe S2 A:Sf4107 2.27 Fe FE4 A:Sf4107 2.73 Fe S3 A:Sf4107 3.91 interactive model: Iron binding site 4 out of 7 in 1g6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1g6b. 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: Cys20, A: Pro21, A: Val22, A: Cys24, A: Phe25, A: Cys39, A: Cys42, A: Cys45, A: Sf4107, conact list: Atom Atom Distance (A) Fe N A:Cys20 4.97 Fe CB A:Cys20 3.42 Fe SG A:Cys20 2.35 Fe C A:Cys20 4.68 Fe CA A:Cys20 3.86 Fe N A:Pro21 4.79 Fe CD A:Pro21 4.35 Fe CG2 A:Val22 4.57 Fe SG A:Cys24 3.56 Fe CD1 A:Phe25 4.78 Fe CZ A:Phe25 4.80 Fe CE1 A:Phe25 4.08 Fe SG A:Cys39 4.88 Fe SG A:Cys42 4.75 Fe SG A:Cys45 4.82 Fe S1 A:Sf4107 2.35 Fe FE1 A:Sf4107 2.70 Fe FE3 A:Sf4107 2.73 Fe S4 A:Sf4107 3.93 Fe FE2 A:Sf4107 2.78 Fe S2 A:Sf4107 2.23 Fe FE4 A:Sf4107 0.00 Fe S3 A:Sf4107 2.35 interactive model: Iron binding site 5 out of 7 in 1g6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1g6b. 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: Tyr13, A: Thr14, A: Asp15, A: Cys16, A: Leu32, A: Cys49, A: Ile54, A: F3s108, conact list: Atom Atom Distance (A) Fe SG A:Cys8 4.86 Fe N A:Tyr13 4.93 Fe N A:Thr14 3.96 Fe C A:Thr14 4.46 Fe CA A:Thr14 3.99 Fe N A:Asp15 4.55 Fe N A:Cys16 4.07 Fe CB A:Cys16 3.19 Fe SG A:Cys16 2.36 Fe CA A:Cys16 4.28 Fe CB A:Leu32 4.92 Fe CD2 A:Leu32 4.24 Fe CB A:Cys49 4.95 Fe SG A:Cys49 4.74 Fe CD1 A:Ile54 4.74 Fe S1 A:F3s108 2.28 Fe FE1 A:F3s108 0.00 Fe FE3 A:F3s108 2.72 Fe S4 A:F3s108 3.89 Fe S2 A:F3s108 2.20 Fe FE4 A:F3s108 2.67 Fe S3 A:F3s108 2.34 interactive model: Iron binding site 6 out of 7 in 1g6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1g6b. 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: Val4, A: Cys8, A: Lys12, A: Tyr13, A: Thr14, A: Cys16, A: Leu32, A: Cys49, A: F3s108, conact list: Atom Atom Distance (A) Fe CG1 A:Val4 4.35 Fe O A:Cys8 4.49 Fe CB A:Cys8 3.16 Fe SG A:Cys8 2.32 Fe C A:Cys8 4.64 Fe CA A:Cys8 3.88 Fe N A:Lys12 4.35 Fe CB A:Lys12 4.95 Fe C A:Lys12 4.61 Fe CA A:Lys12 3.95 Fe N A:Tyr13 4.38 Fe N A:Thr14 4.94 Fe SG A:Cys16 4.87 Fe N A:Leu32 4.88 Fe CB A:Leu32 4.63 Fe SG A:Cys49 4.73 Fe S1 A:F3s108 2.27 Fe FE1 A:F3s108 2.72 Fe FE3 A:F3s108 0.00 Fe S4 A:F3s108 2.25 Fe S2 A:F3s108 3.85 Fe FE4 A:F3s108 2.67 Fe S3 A:F3s108 2.30 interactive model: Iron binding site 7 out of 7 in 1g6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 1g6b. 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: Tyr13, A: Cys16, A: Cys49, A: Pro50, A: Ala51, A: Ala53, A: F3s108, conact list: Atom Atom Distance (A) Fe CB A:Cys8 4.80 Fe SG A:Cys8 4.77 Fe N A:Tyr13 4.92 Fe CB A:Tyr13 4.77 Fe CD2 A:Tyr13 4.72 Fe CB A:Cys16 4.84 Fe SG A:Cys16 4.79 Fe CB A:Cys49 3.26 Fe SG A:Cys49 2.31 Fe C A:Cys49 4.44 Fe CA A:Cys49 3.83 Fe N A:Pro50 4.63 Fe CD A:Pro50 4.38 Fe N A:Ala51 4.76 Fe CB A:Ala51 4.58 Fe CB A:Ala53 4.87 Fe S1 A:F3s108 3.89 Fe FE1 A:F3s108 2.67 Fe FE3 A:F3s108 2.67 Fe S4 A:F3s108 2.30 Fe S2 A:F3s108 2.26 Fe FE4 A:F3s108 0.00 Fe S3 A:F3s108 2.27 interactive model: