Iron in the structure of Structure of Thereduced Hipip From Thermochromatium Tepidum At 0.95 Angstrom Resolution (pdb 2fla)

The binding sites of Iron atom in the structure of Structure of Thereduced Hipip From Thermochromatium Tepidum At 0.95 Angstrom Resolution (pdb code 2fla). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2fla structure was solved by L.M.HUNSICKER-WANG, C.D.STOUT, J.A.FEE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-0.9 Space group P212121 a (A) 23.472 b (A) 46.408 c (A) 58.988 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 12.1 Rfree (%) 14 Iron Binding Sites: Iron binding site 1 out of 4 in 2fla Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2fla. 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: Tyr19, A: Cys43, A: Cys46, A: Cys61, A: Ile69, A: Gly73, A: Trp74, A: Cys75, A: Sf484, conact list: Atom Atom Distance (A) Fe CE1 A:Tyr19 4.91 Fe N A:Cys43 4.39 Fe CB A:Cys43 3.23 Fe SG A:Cys43 2.25 Fe C A:Cys43 4.89 Fe CA A:Cys43 3.66 Fe CB A:Cys46 4.75 Fe SG A:Cys46 4.76 Fe SG A:Cys61 4.85 Fe CB A:Ile69 4.95 Fe CD1 A:Ile69 4.74 Fe CG1 A:Ile69 4.52 Fe C A:Gly73 5.00 Fe N A:Trp74 4.78 Fe C A:Trp74 4.68 Fe CA A:Trp74 4.61 Fe N A:Cys75 4.48 Fe SG A:Cys75 4.81 Fe S1 A:Sf484 3.89 Fe FE1 A:Sf484 0.00 Fe FE3 A:Sf484 2.70 Fe S4 A:Sf484 2.23 Fe FE2 A:Sf484 2.71 Fe S2 A:Sf484 2.32 Fe FE4 A:Sf484 2.74 Fe S3 A:Sf484 2.31 interactive model: Iron binding site 2 out of 4 in 2fla Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2fla. 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: Cys43, A: Cys46, A: Phe48, A: Cys61, A: Leu63, A: Phe64, A: Ile69, A: Cys75, A: Sf484, conact list: Atom Atom Distance (A) Fe SG A:Cys43 4.72 Fe SG A:Cys46 4.71 Fe O A:Phe48 4.97 Fe CB A:Phe48 4.27 Fe C A:Phe48 4.89 Fe CB A:Cys61 3.25 Fe SG A:Cys61 2.26 Fe CA A:Cys61 4.37 Fe CD1 A:Leu63 4.92 Fe CG A:Leu63 4.88 Fe CE2 A:Phe64 4.71 Fe CD2 A:Phe64 4.67 Fe CG2 A:Ile69 4.92 Fe CG1 A:Ile69 4.71 Fe SG A:Cys75 4.55 Fe S1 A:Sf484 2.32 Fe FE1 A:Sf484 2.71 Fe FE3 A:Sf484 2.71 Fe S4 A:Sf484 2.31 Fe FE2 A:Sf484 0.00 Fe S2 A:Sf484 3.89 Fe FE4 A:Sf484 2.70 Fe S3 A:Sf484 2.24 interactive model: Iron binding site 3 out of 4 in 2fla Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2fla. 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: Cys43, A: Cys46, A: Cys61, A: Trp74, A: Cys75, A: Ser77, A: Trp78, A: Sf484, conact list: Atom Atom Distance (A) Fe SG A:Cys43 4.75 Fe SG A:Cys46 4.79 Fe SG A:Cys61 4.67 Fe C A:Trp74 4.46 Fe O A:Cys75 4.17 Fe N A:Cys75 3.60 Fe CB A:Cys75 3.25 Fe SG A:Cys75 2.27 Fe C A:Cys75 4.24 Fe CA A:Cys75 3.85 Fe N A:Ser77 4.78 Fe CB A:Ser77 4.70 Fe CB A:Ser77 4.81 Fe C A:Ser77 4.65 Fe CA A:Ser77 4.96 Fe N A:Trp78 4.34 Fe CA A:Trp78 4.73 Fe S1 A:Sf484 2.30 Fe FE1 A:Sf484 2.70 Fe FE3 A:Sf484 0.00 Fe S4 A:Sf484 2.31 Fe FE2 A:Sf484 2.71 Fe S2 A:Sf484 2.27 Fe FE4 A:Sf484 2.71 Fe S3 A:Sf484 3.87 interactive model: Iron binding site 4 out of 4 in 2fla Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2fla. 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: Cys43, A: Cys46, A: Phe48, A: Met49, A: Cys61, A: Cys75, A: Ser77, A: Trp78, A: Sf484, conact list: Atom Atom Distance (A) Fe SG A:Cys43 4.76 Fe CA A:Cys43 4.73 Fe CB A:Cys46 3.11 Fe SG A:Cys46 2.27 Fe CA A:Cys46 4.58 Fe N A:Phe48 4.70 Fe CB A:Phe48 4.18 Fe CD2 A:Phe48 4.62 Fe C A:Phe48 4.99 Fe CG A:Phe48 4.93 Fe CA A:Phe48 4.83 Fe N A:Met49 4.86 Fe SG A:Cys61 4.64 Fe SG A:Cys75 4.77 Fe O A:Ser77 4.86 Fe C A:Ser77 4.87 Fe N A:Trp78 4.58 Fe CB A:Trp78 4.97 Fe CD1 A:Trp78 4.65 Fe CA A:Trp78 4.23 Fe S1 A:Sf484 2.23 Fe FE1 A:Sf484 2.74 Fe FE3 A:Sf484 2.71 Fe S4 A:Sf484 3.88 Fe FE2 A:Sf484 2.70 Fe S2 A:Sf484 2.31 Fe FE4 A:Sf484 0.00 Fe S3 A:Sf484 2.31 interactive model: