Iron in the structure of Structure of TA289, A Cbs-Rubredoxin-Like Protein, in Its Fe+2-Bound State (pdb 2qh1)

The binding sites of Iron atom in the structure of Structure of TA289, A Cbs-Rubredoxin-Like Protein, in Its Fe+2-Bound State (pdb code 2qh1). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2qh1 structure was solved by A.U.SINGER, M.PROUDFOOT, G.BROWN, L.XU, A.SAVCHENKO, A.F.YAKUNIN, MIDWESTCENTER FOR STRUCTURAL GENOMICS (MCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.7-2.0 Space group P212121 a (A) 58.806 b (A) 63.031 c (A) 97.474 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.2 Rfree (%) 23.7 Iron Binding Sites: Iron binding site 1 out of 2 in 2qh1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2qh1. 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: Cys146, A: Lys148, A: Cys149, A: Gly150, A: Gly152, A: Cys169, A: Asn171, A: Cys174, A: Tyr176, conact list: Atom Atom Distance (A) Fe CB A:Cys146 2.73 Fe SG A:Cys146 2.44 Fe C A:Cys146 4.81 Fe CA A:Cys146 4.24 Fe C A:Lys148 4.88 Fe N A:Cys149 3.71 Fe CB A:Cys149 3.23 Fe SG A:Cys149 2.00 Fe C A:Cys149 4.62 Fe CA A:Cys149 4.01 Fe N A:Gly150 4.60 Fe O A:Gly152 4.71 Fe N A:Gly152 4.16 Fe C A:Gly152 4.62 Fe CA A:Gly152 4.18 Fe CB A:Cys169 3.22 Fe SG A:Cys169 2.18 Fe CA A:Cys169 4.56 Fe CB A:Asn171 4.05 Fe ND2 A:Asn171 4.72 Fe CG A:Asn171 4.88 Fe CB A:Cys174 3.38 Fe SG A:Cys174 3.01 Fe CA A:Cys174 4.89 Fe CB A:Tyr176 4.90 interactive model: Iron binding site 2 out of 2 in 2qh1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2qh1. 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: B: Cys146, B: Lys148, B: Cys149, B: Gly152, B: Cys169, B: Asn171, B: Cys174, B: Tyr176, B: Hoh1161, conact list: Atom Atom Distance (A) Fe CB B:Cys146 3.11 Fe SG B:Cys146 2.32 Fe CA B:Cys146 4.58 Fe N B:Lys148 4.90 Fe CB B:Lys148 4.32 Fe C B:Lys148 4.67 Fe CA B:Lys148 4.87 Fe N B:Cys149 3.68 Fe CB B:Cys149 3.45 Fe SG B:Cys149 2.69 Fe CA B:Cys149 4.18 Fe N B:Gly152 4.92 Fe CA B:Gly152 4.96 Fe CB B:Cys169 3.17 Fe SG B:Cys169 2.49 Fe CA B:Cys169 4.62 Fe CB B:Asn171 4.58 Fe ND2 B:Asn171 4.87 Fe O B:Cys174 4.99 Fe CB B:Cys174 2.93 Fe SG B:Cys174 2.18 Fe C B:Cys174 4.67 Fe CA B:Cys174 4.35 Fe N B:Tyr176 4.82 Fe CB B:Tyr176 3.87 Fe CG B:Tyr176 4.73 Fe CA B:Tyr176 4.98 Fe O B:Hoh1161 4.68 interactive model: