Iron in the structure of Reinterpretation Of Reduced Form of Formate Dehydrogenase H From E. Coli (pdb 2iv2)

The binding sites of Iron atom in the structure of Reinterpretation Of Reduced Form of Formate Dehydrogenase H From E. Coli (pdb code 2iv2). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2iv2 structure was solved by H.C.A.RAAIJMAKERS, M.J.ROMAO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 34.5-2.3 Space group P41212 a (A) 146.400 b (A) 146.400 c (A) 81.270 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.5 Rfree (%) 22.6 Iron Binding Sites: Iron binding site 1 out of 4 in 2iv2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2iv2. 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: X: Cys8, X: Cys11, X: Cys15, X: Leu41, X: Cys42, X: Lys44, X: Gly45, X: Pro182, X: Ile183, X: Sf4800, X: Hoh2084, conact list: Atom Atom Distance (A) Fe SG X:Cys8 4.82 Fe SG X:Cys11 4.66 Fe SG X:Cys15 4.75 Fe C X:Leu41 4.89 Fe O X:Cys42 4.74 Fe N X:Cys42 3.72 Fe CB X:Cys42 3.25 Fe SG X:Cys42 2.20 Fe C X:Cys42 4.60 Fe CA X:Cys42 4.02 Fe CB X:Lys44 4.75 Fe CE X:Lys44 4.89 Fe NZ X:Lys44 4.40 Fe N X:Gly45 4.36 Fe CB X:Pro182 4.77 Fe CD X:Pro182 4.43 Fe CG X:Pro182 4.58 Fe CD1 X:Ile183 4.75 Fe S1 X:Sf4800 3.91 Fe FE1 X:Sf4800 0.00 Fe FE3 X:Sf4800 2.71 Fe S4 X:Sf4800 2.35 Fe FE2 X:Sf4800 2.74 Fe S2 X:Sf4800 2.25 Fe FE4 X:Sf4800 2.73 Fe S3 X:Sf4800 2.36 Fe O X:Hoh2084 4.68 interactive model: Iron binding site 2 out of 4 in 2iv2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2iv2. 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: X: Cys8, X: Tyr10, X: Cys11, X: Cys15, X: Cys42, X: Gly45, X: Sf4800, conact list: Atom Atom Distance (A) Fe CB X:Cys8 3.02 Fe SG X:Cys8 2.24 Fe C X:Cys8 4.92 Fe CA X:Cys8 4.47 Fe N X:Tyr10 4.81 Fe CB X:Tyr10 4.24 Fe CD2 X:Tyr10 4.75 Fe CA X:Tyr10 4.96 Fe O X:Cys11 4.95 Fe N X:Cys11 4.52 Fe SG X:Cys11 4.76 Fe CB X:Cys15 4.66 Fe SG X:Cys15 4.55 Fe SG X:Cys42 4.54 Fe N X:Gly45 4.21 Fe CA X:Gly45 4.33 Fe S1 X:Sf4800 2.25 Fe FE1 X:Sf4800 2.74 Fe FE3 X:Sf4800 2.63 Fe S4 X:Sf4800 2.39 Fe FE2 X:Sf4800 0.00 Fe S2 X:Sf4800 3.85 Fe FE4 X:Sf4800 2.67 Fe S3 X:Sf4800 2.32 interactive model: Iron binding site 3 out of 4 in 2iv2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2iv2. 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: X: Cys8, X: Cys11, X: Ser13, X: Cys15, X: Leu41, X: Cys42, X: Ile183, X: Sf4800, conact list: Atom Atom Distance (A) Fe CB X:Cys8 4.48 Fe SG X:Cys8 4.57 Fe SG X:Cys11 4.75 Fe CB X:Ser13 3.97 Fe OG X:Ser13 4.59 Fe N X:Cys15 4.25 Fe CB X:Cys15 3.20 Fe SG X:Cys15 2.23 Fe CA X:Cys15 4.35 Fe CD2 X:Leu41 4.85 Fe N X:Cys42 4.79 Fe SG X:Cys42 4.83 Fe CB X:Ile183 4.38 Fe CD1 X:Ile183 4.12 Fe CG1 X:Ile183 4.43 Fe S1 X:Sf4800 2.28 Fe FE1 X:Sf4800 2.71 Fe FE3 X:Sf4800 0.00 Fe S4 X:Sf4800 2.31 Fe FE2 X:Sf4800 2.63 Fe S2 X:Sf4800 2.30 Fe FE4 X:Sf4800 2.76 Fe S3 X:Sf4800 3.89 interactive model: Iron binding site 4 out of 4 in 2iv2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2iv2. 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: X: Cys8, X: Tyr10, X: Cys11, X: Ala12, X: Ser13, X: Cys15, X: Cys42, X: Pro182, X: Sf4800, X: Hoh2084, conact list: Atom Atom Distance (A) Fe SG X:Cys8 4.63 Fe CB X:Tyr10 4.91 Fe O X:Cys11 4.07 Fe N X:Cys11 3.81 Fe CB X:Cys11 3.47 Fe SG X:Cys11 2.24 Fe C X:Cys11 4.16 Fe CA X:Cys11 3.98 Fe N X:Ala12 4.99 Fe N X:Ser13 4.48 Fe CB X:Ser13 3.81 Fe OG X:Ser13 3.89 Fe CA X:Ser13 4.74 Fe SG X:Cys15 4.77 Fe SG X:Cys42 4.62 Fe CD X:Pro182 4.62 Fe S1 X:Sf4800 2.29 Fe FE1 X:Sf4800 2.73 Fe FE3 X:Sf4800 2.76 Fe S4 X:Sf4800 3.99 Fe FE2 X:Sf4800 2.67 Fe S2 X:Sf4800 2.37 Fe FE4 X:Sf4800 0.00 Fe S3 X:Sf4800 2.23 Fe O X:Hoh2084 4.07 interactive model: