Iron in the structure of Crystal Structure Of The L Protein Of Rhodobacter Sphaeroides Light- Independent Protochlorophyllide Reductase (Bchl) With Mgadp Bound: A Homologue of the Nitrogenase Fe Protein (pdb 3fwy)

The binding sites of Iron atom in the structure of Crystal Structure Of The L Protein Of Rhodobacter Sphaeroides Light- Independent Protochlorophyllide Reductase (Bchl) With Mgadp Bound: A Homologue of the Nitrogenase Fe Protein (pdb code 3fwy). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3fwy structure was solved by R.SARMA, B.M.BARNEY, T.L.HAMILTON, A.JONES, L.C.SEEFELDT, J.W.PETERS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 33.0-1.6 Space group P212121 a (A) 56.729 b (A) 86.622 c (A) 117.169 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.4 Rfree (%) 19.9 Iron Binding Sites: Iron binding site 1 out of 4 in 3fwy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3fwy. 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: Cys126, A: Val158, A: Cys160, A: Gly161, B: Cys126, B: Gly127, B: Cys160, B: Sf4402, conact list: Atom Atom Distance (A) Fe SG A:Cys126 4.74 Fe CB A:Val158 4.77 Fe CG2 A:Val158 4.35 Fe O A:Cys160 4.17 Fe N A:Cys160 4.81 Fe CB A:Cys160 3.40 Fe SG A:Cys160 2.30 Fe C A:Cys160 4.13 Fe CA A:Cys160 4.29 Fe N A:Gly161 4.60 Fe SG B:Cys126 4.51 Fe C B:Cys126 4.85 Fe CA B:Cys126 4.72 Fe N B:Gly127 3.99 Fe CA B:Gly127 4.73 Fe SG B:Cys160 4.87 Fe S1 B:Sf4402 3.87 Fe FE1 B:Sf4402 0.00 Fe FE3 B:Sf4402 2.62 Fe S4 B:Sf4402 2.30 Fe FE2 B:Sf4402 2.67 Fe S2 B:Sf4402 2.33 Fe FE4 B:Sf4402 2.74 Fe S3 B:Sf4402 2.25 interactive model: Iron binding site 2 out of 4 in 3fwy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3fwy. 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: Cys126, A: Gly127, A: Gly128, A: Cys160, A: Gly161, B: Cys126, B: Cys160, B: Sf4402, A: Hoh383, conact list: Atom Atom Distance (A) Fe CB A:Cys126 3.52 Fe SG A:Cys126 2.27 Fe C A:Cys126 4.21 Fe CA A:Cys126 3.87 Fe N A:Gly127 3.89 Fe CA A:Gly127 4.88 Fe N A:Gly128 4.43 Fe SG A:Cys160 4.80 Fe N A:Gly161 4.96 Fe CA A:Gly161 4.73 Fe SG B:Cys126 4.87 Fe SG B:Cys160 4.43 Fe S1 B:Sf4402 2.33 Fe FE1 B:Sf4402 2.67 Fe FE3 B:Sf4402 2.73 Fe S4 B:Sf4402 2.27 Fe FE2 B:Sf4402 0.00 Fe S2 B:Sf4402 3.89 Fe FE4 B:Sf4402 2.67 Fe S3 B:Sf4402 2.31 Fe O A:Hoh383 4.93 interactive model: Iron binding site 3 out of 4 in 3fwy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3fwy. 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: Cys126, A: Cys160, B: Cys126, B: Gly127, B: Gly128, B: Cys160, B: Gly161, B: Sf4402, conact list: Atom Atom Distance (A) Fe SG A:Cys126 4.85 Fe SG A:Cys160 4.43 Fe CB B:Cys126 3.47 Fe SG B:Cys126 2.28 Fe C B:Cys126 4.24 Fe CA B:Cys126 3.87 Fe N B:Gly127 3.96 Fe CA B:Gly127 4.93 Fe N B:Gly128 4.36 Fe O B:Cys160 5.00 Fe SG B:Cys160 4.81 Fe N B:Gly161 4.77 Fe CA B:Gly161 4.50 Fe S1 B:Sf4402 2.26 Fe FE1 B:Sf4402 2.62 Fe FE3 B:Sf4402 0.00 Fe S4 B:Sf4402 2.34 Fe FE2 B:Sf4402 2.73 Fe S2 B:Sf4402 2.32 Fe FE4 B:Sf4402 2.70 Fe S3 B:Sf4402 3.87 interactive model: Iron binding site 4 out of 4 in 3fwy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3fwy. 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: Cys126, A: Gly127, A: Cys160, B: Cys126, B: Val158, B: Cys160, B: Gly161, B: Sf4402, conact list: Atom Atom Distance (A) Fe SG A:Cys126 4.53 Fe C A:Cys126 4.83 Fe CA A:Cys126 4.78 Fe N A:Gly127 3.90 Fe CA A:Gly127 4.58 Fe SG A:Cys160 4.87 Fe SG B:Cys126 4.76 Fe CG2 B:Val158 4.51 Fe O B:Cys160 4.15 Fe N B:Cys160 4.82 Fe CB B:Cys160 3.39 Fe SG B:Cys160 2.27 Fe C B:Cys160 4.06 Fe CA B:Cys160 4.28 Fe N B:Gly161 4.40 Fe CA B:Gly161 4.94 Fe S1 B:Sf4402 2.31 Fe FE1 B:Sf4402 2.74 Fe FE3 B:Sf4402 2.70 Fe S4 B:Sf4402 3.93 Fe FE2 B:Sf4402 2.67 Fe S2 B:Sf4402 2.25 Fe FE4 B:Sf4402 0.00 Fe S3 B:Sf4402 2.33 interactive model: