Iron in the structure of Two-Angstrom Crystal Structure of Oxidized Chromatium High Potential Iron Protein (pdb 1hip)

The binding sites of Iron atom in the structure of Two-Angstrom Crystal Structure of Oxidized Chromatium High Potential Iron Protein (pdb code 1hip). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1hip structure was solved by C.W.CARTERJUNIOR, J.KRAUT, S.T.FREER, N.-H.XUONG, R.A.ALDEN, R.G.BARTSCH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 2.0 Space group P212121 a (A) 42.700 b (A) 41.860 c (A) 38.080 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Iron Binding Sites: Iron binding site 1 out of 4 in 1hip Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1hip. 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: Cys63, A: Ile71, A: Gly75, A: Trp76, A: Cys77, A: Sf486, conact list: Atom Atom Distance (A) Fe CD1 A:Tyr19 4.73 Fe CE1 A:Tyr19 4.77 Fe O A:Cys43 4.96 Fe N A:Cys43 4.24 Fe CB A:Cys43 3.03 Fe SG A:Cys43 2.18 Fe C A:Cys43 4.77 Fe CA A:Cys43 3.55 Fe CB A:Cys46 4.81 Fe SG A:Cys46 4.67 Fe SG A:Cys63 4.92 Fe CB A:Ile71 4.96 Fe CD1 A:Ile71 4.55 Fe CG1 A:Ile71 4.68 Fe O A:Gly75 4.81 Fe C A:Gly75 4.89 Fe N A:Trp76 4.81 Fe C A:Trp76 4.88 Fe CA A:Trp76 4.63 Fe N A:Cys77 4.82 Fe SG A:Cys77 4.77 Fe S1 A:Sf486 3.91 Fe FE1 A:Sf486 0.00 Fe FE3 A:Sf486 2.79 Fe S4 A:Sf486 2.32 Fe FE2 A:Sf486 2.71 Fe S2 A:Sf486 2.34 Fe FE4 A:Sf486 2.77 Fe S3 A:Sf486 2.24 interactive model: Iron binding site 2 out of 4 in 1hip Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1hip. 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: Cys63, A: Cys77, A: Trp80, A: Sf486, conact list: Atom Atom Distance (A) Fe CB A:Cys43 4.84 Fe SG A:Cys43 4.68 Fe CA A:Cys43 4.66 Fe CB A:Cys46 3.16 Fe SG A:Cys46 2.20 Fe CA A:Cys46 4.54 Fe N A:Phe48 4.96 Fe CB A:Phe48 4.34 Fe CD2 A:Phe48 4.58 Fe CG A:Phe48 4.98 Fe N A:Met49 4.87 Fe SG A:Cys63 4.59 Fe SG A:Cys77 4.73 Fe N A:Trp80 4.88 Fe CD1 A:Trp80 4.93 Fe CA A:Trp80 4.45 Fe S1 A:Sf486 2.25 Fe FE1 A:Sf486 2.71 Fe FE3 A:Sf486 2.67 Fe S4 A:Sf486 2.17 Fe FE2 A:Sf486 0.00 Fe S2 A:Sf486 3.76 Fe FE4 A:Sf486 2.74 Fe S3 A:Sf486 2.24 interactive model: Iron binding site 3 out of 4 in 1hip Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1hip. 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: Cys63, A: Phe66, A: Ile71, A: Cys77, A: Sf486, conact list: Atom Atom Distance (A) Fe SG A:Cys43 4.78 Fe SG A:Cys46 4.62 Fe O A:Phe48 4.99 Fe CB A:Phe48 4.48 Fe CB A:Cys63 3.36 Fe SG A:Cys63 2.26 Fe CA A:Cys63 4.50 Fe CD2 A:Phe66 4.70 Fe CG1 A:Ile71 4.75 Fe SG A:Cys77 4.53 Fe S1 A:Sf486 2.37 Fe FE1 A:Sf486 2.79 Fe FE3 A:Sf486 0.00 Fe S4 A:Sf486 2.25 Fe FE2 A:Sf486 2.67 Fe S2 A:Sf486 2.15 Fe FE4 A:Sf486 2.70 Fe S3 A:Sf486 3.81 interactive model: Iron binding site 4 out of 4 in 1hip Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1hip. 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: Cys63, A: Trp76, A: Cys77, A: Ser79, A: Trp80, A: Sf486, conact list: Atom Atom Distance (A) Fe CD1 A:Tyr19 4.92 Fe SG A:Cys43 4.71 Fe SG A:Cys46 4.70 Fe SG A:Cys63 4.69 Fe C A:Trp76 4.61 Fe O A:Cys77 4.43 Fe N A:Cys77 3.91 Fe CB A:Cys77 3.21 Fe SG A:Cys77 2.18 Fe C A:Cys77 4.52 Fe CA A:Cys77 4.00 Fe N A:Ser79 4.94 Fe CB A:Ser79 4.61 Fe C A:Ser79 4.71 Fe CA A:Ser79 4.99 Fe N A:Trp80 4.56 Fe CA A:Trp80 4.91 Fe S1 A:Sf486 2.16 Fe FE1 A:Sf486 2.77 Fe FE3 A:Sf486 2.70 Fe S4 A:Sf486 3.84 Fe FE2 A:Sf486 2.74 Fe S2 A:Sf486 2.23 Fe FE4 A:Sf486 0.00 Fe S3 A:Sf486 2.27 interactive model: