Iron in the structure of Spore Photoproduct Lyase (pdb 4fhc)

The binding sites of Iron atom in the structure of Spore Photoproduct Lyase (pdb code 4fhc). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 4fhc structure was solved by A.BENJDIA, K.HEIL, T.R.M.BARENDS, T.CARELL, I.SCHLICHTING, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 47.5-2.2 Space group P212121 a (A) 54.220 b (A) 63.120 c (A) 143.960 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.9 Rfree (%) 24.8 Iron Binding Sites: Iron binding site 1 out of 4 in 4fhc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 4fhc. 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: Cys90, A: Gly92, A: Cys94, A: Cys97, A: Asp143, A: Sf4401, A: Eem402, conact list: Atom Atom Distance (A) Fe CB A:Cys90 3.10 Fe SG A:Cys90 2.34 Fe C A:Cys90 4.94 Fe CA A:Cys90 4.55 Fe O A:Gly92 4.81 Fe N A:Gly92 4.32 Fe C A:Gly92 4.67 Fe CA A:Gly92 4.25 Fe SG A:Cys94 4.84 Fe SG A:Cys97 4.68 Fe CB A:Asp143 4.71 Fe OD1 A:Asp143 4.99 Fe S1 A:Sf4401 3.89 Fe FE1 A:Sf4401 0.00 Fe FE3 A:Sf4401 2.69 Fe S4 A:Sf4401 2.29 Fe FE2 A:Sf4401 2.71 Fe S2 A:Sf4401 2.30 Fe FE4 A:Sf4401 2.74 Fe S3 A:Sf4401 2.30 Fe N A:Eem402 3.76 Fe O A:Eem402 4.77 interactive model: Iron binding site 2 out of 4 in 4fhc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 4fhc. 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: Cys90, A: Cys94, A: Cys97, A: Lys174, A: Thr209, A: Sf4401, A: Eem402, conact list: Atom Atom Distance (A) Fe SG A:Cys90 4.87 Fe N A:Cys94 4.08 Fe CB A:Cys94 3.03 Fe SG A:Cys94 2.31 Fe CA A:Cys94 4.16 Fe CB A:Cys97 4.74 Fe SG A:Cys97 4.61 Fe CE A:Lys174 4.36 Fe CD A:Lys174 4.25 Fe NZ A:Lys174 3.73 Fe CG2 A:Thr209 4.60 Fe S1 A:Sf4401 2.30 Fe FE1 A:Sf4401 2.71 Fe FE3 A:Sf4401 2.74 Fe S4 A:Sf4401 2.30 Fe FE2 A:Sf4401 0.00 Fe S2 A:Sf4401 3.89 Fe FE4 A:Sf4401 2.69 Fe S3 A:Sf4401 2.30 Fe N A:Eem402 4.81 Fe O A:Eem402 4.16 interactive model: Iron binding site 3 out of 4 in 4fhc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 4fhc. 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: Cys90, A: Cys94, A: Cys97, A: Asp143, A: Lys174, A: Sf4401, A: Eem402, conact list: Atom Atom Distance (A) Fe SG A:Cys90 4.61 Fe SG A:Cys94 4.83 Fe SG A:Cys97 4.83 Fe CB A:Asp143 5.00 Fe OD1 A:Asp143 4.46 Fe CE A:Lys174 4.89 Fe CD A:Lys174 4.82 Fe CG A:Lys174 4.98 Fe NZ A:Lys174 3.78 Fe S1 A:Sf4401 2.30 Fe FE1 A:Sf4401 2.69 Fe FE3 A:Sf4401 0.00 Fe S4 A:Sf4401 2.30 Fe FE2 A:Sf4401 2.74 Fe S2 A:Sf4401 2.30 Fe FE4 A:Sf4401 2.75 Fe S3 A:Sf4401 3.92 Fe N A:Eem402 2.28 Fe CB A:Eem402 4.00 Fe C A:Eem402 3.07 Fe CG A:Eem402 3.77 Fe CA A:Eem402 3.17 Fe SE A:Eem402 3.58 Fe O A:Eem402 2.30 Fe CE A:Eem402 4.47 Fe C2' A:Eem402 4.99 Fe OXT A:Eem402 4.25 interactive model: Iron binding site 4 out of 4 in 4fhc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 4fhc. 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: Cys90, A: Cys94, A: Cys97, A: Leu99, A: Sf4401, A: Eem402, conact list: Atom Atom Distance (A) Fe CB A:Cys90 4.91 Fe SG A:Cys90 4.90 Fe CB A:Cys94 4.46 Fe SG A:Cys94 4.68 Fe CB A:Cys97 3.22 Fe SG A:Cys97 2.22 Fe CA A:Cys97 4.18 Fe CD1 A:Leu99 4.42 Fe CG A:Leu99 4.84 Fe S1 A:Sf4401 2.30 Fe FE1 A:Sf4401 2.74 Fe FE3 A:Sf4401 2.75 Fe S4 A:Sf4401 3.91 Fe FE2 A:Sf4401 2.69 Fe S2 A:Sf4401 2.29 Fe FE4 A:Sf4401 0.00 Fe S3 A:Sf4401 2.30 Fe N A:Eem402 4.64 Fe SE A:Eem402 4.72 Fe O A:Eem402 4.83 Fe CE A:Eem402 4.46 interactive model: