Iron in the structure of X-Ray Crystal Structures Of The Oxidized and Reduced Forms of The Rubredoxin From the Marine Hyperthermophilic Archaebacterium Pyrococcus Furiosus (pdb 1caa)

The binding sites of Iron atom in the structure of X-Ray Crystal Structures Of The Oxidized and Reduced Forms of The Rubredoxin From the Marine Hyperthermophilic Archaebacterium Pyrococcus Furiosus (pdb code 1caa). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1caa structure was solved by M.W.DAY, B.T.HSU, L.JOSHUA-TOR, J.B.PARK, Z.H.ZHOU, M.W.W.ADAMS, D.C.REES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 1.8 Space group P212121 a (A) 33.800 b (A) 34.600 c (A) 43.400 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.8 Rfree (%) n/a Iron Binding Sites: Iron binding site 1 out of 1 in 1caa Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1caa. 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: Cys5, A: Ile7, A: Cys8, A: Gly9, A: Tyr10, A: Cys38, A: Ile40, A: Cys41, A: Gly42, A: Ala43, conact list: Atom Atom Distance (A) Fe CB A:Cys5 3.23 Fe SG A:Cys5 2.31 Fe CA A:Cys5 4.65 Fe CB A:Ile7 4.56 Fe C A:Ile7 4.81 Fe N A:Cys8 3.78 Fe CB A:Cys8 3.39 Fe SG A:Cys8 2.25 Fe C A:Cys8 4.89 Fe CA A:Cys8 4.17 Fe N A:Gly9 4.91 Fe N A:Tyr10 4.86 Fe CB A:Tyr10 4.32 Fe CB A:Cys38 3.24 Fe SG A:Cys38 2.33 Fe CA A:Cys38 4.66 Fe CB A:Ile40 4.52 Fe CG2 A:Ile40 4.94 Fe C A:Ile40 4.84 Fe N A:Cys41 3.73 Fe CB A:Cys41 3.34 Fe SG A:Cys41 2.25 Fe C A:Cys41 4.83 Fe CA A:Cys41 4.12 Fe N A:Gly42 4.87 Fe N A:Ala43 4.81 Fe CB A:Ala43 4.37 interactive model: