Iron in the structure of Reduced Form of Formate Dehydrogenase H From E. Coli (pdb 1aa6)

The binding sites of Iron atom in the structure of Reduced Form of Formate Dehydrogenase H From E. Coli (pdb code 1aa6). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1aa6 structure was solved by P.D.SUN, J.C.BOYINGTON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-2.3 Space group P41212 a (A) 146.400 b (A) 146.400 c (A) 82.700 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.7 Rfree (%) 28.7 Iron Binding Sites: Iron binding site 1 out of 4 in 1aa6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1aa6. 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: Cys8, A: Cys11, A: Cys15, A: Leu41, A: Cys42, A: Lys44, A: Gly45, A: Pro182, A: Sf4800, A: Hoh833, conact list: Atom Atom Distance (A) Fe SG A:Cys8 4.76 Fe SG A:Cys11 4.79 Fe SG A:Cys15 4.88 Fe C A:Leu41 4.98 Fe O A:Cys42 4.59 Fe N A:Cys42 3.81 Fe CB A:Cys42 3.28 Fe SG A:Cys42 2.30 Fe C A:Cys42 4.49 Fe CA A:Cys42 4.05 Fe N A:Lys44 4.91 Fe CB A:Lys44 4.75 Fe CE A:Lys44 4.64 Fe NZ A:Lys44 4.59 Fe N A:Gly45 4.39 Fe CB A:Pro182 4.68 Fe CD A:Pro182 4.48 Fe CG A:Pro182 4.58 Fe S1 A:Sf4800 3.95 Fe FE1 A:Sf4800 0.00 Fe FE3 A:Sf4800 2.83 Fe S4 A:Sf4800 2.35 Fe FE2 A:Sf4800 2.69 Fe S2 A:Sf4800 2.34 Fe FE4 A:Sf4800 2.72 Fe S3 A:Sf4800 2.35 Fe O A:Hoh833 4.77 interactive model: Iron binding site 2 out of 4 in 1aa6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1aa6. 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: Cys8, A: Tyr10, A: Cys11, A: Cys15, A: Cys42, A: Gly45, A: Sf4800, conact list: Atom Atom Distance (A) Fe CB A:Cys8 3.06 Fe SG A:Cys8 2.26 Fe CA A:Cys8 4.52 Fe N A:Tyr10 4.85 Fe CB A:Tyr10 4.21 Fe CD2 A:Tyr10 4.78 Fe CA A:Tyr10 4.98 Fe O A:Cys11 4.91 Fe N A:Cys11 4.58 Fe SG A:Cys11 4.85 Fe CB A:Cys15 4.62 Fe SG A:Cys15 4.56 Fe SG A:Cys42 4.69 Fe N A:Gly45 4.29 Fe CA A:Gly45 4.32 Fe S1 A:Sf4800 2.24 Fe FE1 A:Sf4800 2.69 Fe FE3 A:Sf4800 2.61 Fe S4 A:Sf4800 2.36 Fe FE2 A:Sf4800 0.00 Fe S2 A:Sf4800 3.77 Fe FE4 A:Sf4800 2.65 Fe S3 A:Sf4800 2.31 interactive model: Iron binding site 3 out of 4 in 1aa6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1aa6. 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: Cys8, A: Cys11, A: Ser13, A: Cys15, A: Leu41, A: Cys42, A: Ile183, A: Sf4800, conact list: Atom Atom Distance (A) Fe CB A:Cys8 4.50 Fe SG A:Cys8 4.57 Fe SG A:Cys11 4.87 Fe CB A:Ser13 3.99 Fe OG A:Ser13 4.60 Fe N A:Cys15 4.28 Fe CB A:Cys15 3.15 Fe SG A:Cys15 2.22 Fe CA A:Cys15 4.33 Fe CD2 A:Leu41 4.90 Fe N A:Cys42 4.83 Fe CB A:Ile183 4.44 Fe CD1 A:Ile183 4.33 Fe CG1 A:Ile183 4.33 Fe S1 A:Sf4800 2.34 Fe FE1 A:Sf4800 2.83 Fe FE3 A:Sf4800 0.00 Fe S4 A:Sf4800 2.31 Fe FE2 A:Sf4800 2.61 Fe S2 A:Sf4800 2.28 Fe FE4 A:Sf4800 2.79 Fe S3 A:Sf4800 3.98 interactive model: Iron binding site 4 out of 4 in 1aa6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1aa6. 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: Cys8, A: Tyr10, A: Cys11, A: Ser13, A: Cys15, A: Cys42, A: Lys44, A: Pro182, A: Sf4800, A: Hoh833, conact list: Atom Atom Distance (A) Fe SG A:Cys8 4.62 Fe CB A:Tyr10 4.81 Fe O A:Cys11 4.04 Fe N A:Cys11 3.86 Fe CB A:Cys11 3.53 Fe SG A:Cys11 2.36 Fe C A:Cys11 4.20 Fe CA A:Cys11 4.03 Fe N A:Ser13 4.51 Fe CB A:Ser13 3.90 Fe OG A:Ser13 3.90 Fe CA A:Ser13 4.80 Fe SG A:Cys15 4.80 Fe SG A:Cys42 4.73 Fe NZ A:Lys44 4.71 Fe CD A:Pro182 4.55 Fe S1 A:Sf4800 2.28 Fe FE1 A:Sf4800 2.72 Fe FE3 A:Sf4800 2.79 Fe S4 A:Sf4800 3.96 Fe FE2 A:Sf4800 2.65 Fe S2 A:Sf4800 2.30 Fe FE4 A:Sf4800 0.00 Fe S3 A:Sf4800 2.28 Fe O A:Hoh833 4.03 interactive model: