Iron in the structure of A Proton-uc(Nmr) Investigation of the Fully Reduced Cytochrome C7 From Desulfuromonas Acetoxidans (pdb 1ehj)

The binding sites of Iron atom in the structure of A Proton-uc(Nmr) Investigation of the Fully Reduced Cytochrome C7 From Desulfuromonas Acetoxidans (pdb code 1ehj). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1ehj structure was solved by M.ASSFALG, L.BANCI, I.BERTINI, M.BRUSCHI, M.T.GIUDICI-ORTICONI, with NMR in Solution technique. Iron Binding Sites: Iron binding site 1 out of 3 in 1ehj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1ehj. 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: His17, A: Cys29, A: His30, A: Pro34, A: Ile37, A: Hec1030, conact list: Atom Atom Distance (A) Fe CD2 A:His17 2.97 Fe HD1 A:His17 4.98 Fe CG A:His17 4.09 Fe HD2 A:His17 3.26 Fe NE2 A:His17 1.91 Fe HE1 A:His17 3.12 Fe ND1 A:His17 4.05 Fe CE1 A:His17 2.90 Fe HB2 A:Cys29 4.82 Fe CD2 A:His30 2.93 Fe CG A:His30 4.09 Fe HD2 A:His30 3.14 Fe NE2 A:His30 1.93 Fe HE1 A:His30 3.22 Fe ND1 A:His30 4.11 Fe CE1 A:His30 2.98 Fe HB2 A:Pro34 4.66 Fe CB A:Pro34 4.96 Fe HB3 A:Pro34 4.22 Fe HG13 A:Ile37 4.60 Fe HD12 A:Ile37 4.18 Fe C2D A:Hec1030 4.27 Fe NA A:Hec1030 2.02 Fe CHA A:Hec1030 3.45 Fe C2A A:Hec1030 4.25 Fe C1D A:Hec1030 3.03 Fe C4A A:Hec1030 3.00 Fe C4B A:Hec1030 2.99 Fe C3A A:Hec1030 4.24 Fe HHA A:Hec1030 4.53 Fe C1C A:Hec1030 2.99 Fe C2C A:Hec1030 4.22 Fe NB A:Hec1030 1.98 Fe HHC A:Hec1030 4.46 Fe FE A:Hec1030 0.00 Fe C3B A:Hec1030 4.21 Fe C4D A:Hec1030 3.04 Fe NC A:Hec1030 2.00 Fe CHB A:Hec1030 3.40 Fe CHC A:Hec1030 3.39 Fe C3D A:Hec1030 4.26 Fe C4C A:Hec1030 3.01 Fe C2B A:Hec1030 4.20 Fe HHB A:Hec1030 4.46 Fe ND A:Hec1030 2.04 Fe CHD A:Hec1030 3.44 Fe C1B A:Hec1030 2.98 Fe HHD A:Hec1030 4.50 Fe C3C A:Hec1030 4.24 Fe C1A A:Hec1030 3.03 interactive model: Iron binding site 2 out of 3 in 1ehj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1ehj. 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: His20, A: His53, A: Hec1030, A: Hec1053, conact list: Atom Atom Distance (A) Fe CD2 A:His20 3.05 Fe CG A:His20 4.19 Fe HD2 A:His20 3.33 Fe NE2 A:His20 1.98 Fe HE1 A:His20 3.20 Fe ND1 A:His20 4.15 Fe CE1 A:His20 2.98 Fe CD2 A:His53 3.03 Fe HD1 A:His53 4.99 Fe CG A:His53 4.15 Fe HD2 A:His53 3.25 Fe NE2 A:His53 1.96 Fe HE1 A:His53 3.14 Fe ND1 A:His53 4.11 Fe CE1 A:His53 2.94 Fe HBC2 A:Hec1030 5.00 Fe C2D A:Hec1053 4.30 Fe NA A:Hec1053 2.01 Fe CHA A:Hec1053 3.42 Fe C2A A:Hec1053 4.23 Fe C1D A:Hec1053 3.08 Fe C4A A:Hec1053 3.03 Fe C4B A:Hec1053 2.98 Fe C3A A:Hec1053 4.24 Fe HHA A:Hec1053 4.50 Fe C1C A:Hec1053 3.01 Fe C2C A:Hec1053 4.26 Fe NB A:Hec1053 1.98 Fe HHC A:Hec1053 4.46 Fe FE A:Hec1053 0.00 Fe C3B A:Hec1053 4.21 Fe C4D A:Hec1053 3.05 Fe NC A:Hec1053 2.05 Fe CHB A:Hec1053 3.44 Fe CHC A:Hec1053 3.39 Fe C3D A:Hec1053 4.29 Fe C4C A:Hec1053 3.08 Fe C2B A:Hec1053 4.21 Fe HHB A:Hec1053 4.51 Fe ND A:Hec1053 2.06 Fe CHD A:Hec1053 3.50 Fe C1B A:Hec1053 2.99 Fe HHD A:Hec1053 4.58 Fe C3C A:Hec1053 4.30 Fe C1A A:Hec1053 3.00 interactive model: Iron binding site 3 out of 3 in 1ehj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1ehj. 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: Lys10, A: Val13, A: His45, A: His66, A: Hec1066, conact list: Atom Atom Distance (A) Fe HG3 A:Lys10 4.39 Fe HG22 A:Val13 4.48 Fe CD2 A:His45 3.09 Fe CG A:His45 4.20 Fe HD2 A:His45 3.39 Fe NE2 A:His45 1.98 Fe HE1 A:His45 3.14 Fe ND1 A:His45 4.11 Fe CE1 A:His45 2.94 Fe CD2 A:His66 2.96 Fe CG A:His66 4.10 Fe HD2 A:His66 3.16 Fe NE2 A:His66 1.94 Fe HE1 A:His66 3.21 Fe ND1 A:His66 4.11 Fe CE1 A:His66 2.97 Fe C2D A:Hec1066 4.29 Fe NA A:Hec1066 1.99 Fe CHA A:Hec1066 3.42 Fe C2A A:Hec1066 4.21 Fe C1D A:Hec1066 3.07 Fe C4A A:Hec1066 2.99 Fe C4B A:Hec1066 3.04 Fe C3A A:Hec1066 4.21 Fe HHA A:Hec1066 4.49 Fe C1C A:Hec1066 3.03 Fe C2C A:Hec1066 4.27 Fe NB A:Hec1066 2.03 Fe HHC A:Hec1066 4.52 Fe FE A:Hec1066 0.00 Fe C3B A:Hec1066 4.27 Fe C4D A:Hec1066 3.05 Fe NC A:Hec1066 2.05 Fe CHB A:Hec1066 3.41 Fe CHC A:Hec1066 3.45 Fe C3D A:Hec1066 4.29 Fe C4C A:Hec1066 3.06 Fe C2B A:Hec1066 4.25 Fe HHB A:Hec1066 4.48 Fe ND A:Hec1066 2.06 Fe CHD A:Hec1066 3.48 Fe C1B A:Hec1066 3.01 Fe HHD A:Hec1066 4.56 Fe C3C A:Hec1066 4.29 Fe C1A A:Hec1066 2.99 interactive model: