Iron in the structure of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking (pdb 1e08)

The binding sites of Iron atom in the structure of Structural Model of the [Fe]-Hydrogenase/Cytochrome C553 Complex Combining uc(Nmr) and Soft-Docking (pdb code 1e08). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1e08 structure was solved by X.MORELLI, M.CZJZEK, C.E.HATCHIKIAN, O.BORNET, J.C.FONTECILLA-CAMPS, N.P.PALMA, J.J.G.MOURA, F.GUERLESQUIN, with NMR in Solution technique. Iron Binding Sites: Iron binding site 1 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1e08. 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: Lys34, A: Cys35, A: Ile36, A: Cys38, A: Cys41, A: His75, A: Cys76, A: Ile81, A: Sf41, conact list: Atom Atom Distance (A) Fe O A:Lys34 3.64 Fe C A:Lys34 4.72 Fe CB A:Cys35 4.80 Fe SG A:Cys35 4.61 Fe CA A:Cys35 4.41 Fe H A:Ile36 4.30 Fe SG A:Cys38 4.48 Fe SG A:Cys41 4.72 Fe O A:His75 4.81 Fe N A:Cys76 4.74 Fe CB A:Cys76 3.20 Fe SG A:Cys76 2.21 Fe CA A:Cys76 4.16 Fe CD1 A:Ile81 4.25 Fe CG1 A:Ile81 4.31 Fe S1 A:Sf41 3.90 Fe FE1 A:Sf41 0.00 Fe FE3 A:Sf41 2.53 Fe S4 A:Sf41 2.32 Fe FE2 A:Sf41 2.56 Fe S2 A:Sf41 2.33 Fe FE4 A:Sf41 2.62 Fe S3 A:Sf41 2.32 interactive model: Iron binding site 2 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1e08. 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: Cys35, A: Ile36, A: Gly37, A: Cys38, A: Asp39, A: Cys41, A: His75, A: Cys76, A: Sf41, conact list: Atom Atom Distance (A) Fe SG A:Cys35 4.58 Fe H A:Ile36 4.34 Fe O A:Gly37 3.36 Fe C A:Gly37 4.32 Fe N A:Cys38 4.62 Fe CB A:Cys38 3.18 Fe SG A:Cys38 2.18 Fe C A:Cys38 4.23 Fe CA A:Cys38 4.20 Fe O A:Asp39 3.76 Fe N A:Asp39 3.60 Fe H A:Asp39 2.87 Fe C A:Asp39 4.36 Fe CA A:Asp39 4.30 Fe CB A:Cys41 4.80 Fe SG A:Cys41 4.51 Fe H A:Cys41 4.22 Fe O A:His75 4.82 Fe SG A:Cys76 4.49 Fe S1 A:Sf41 2.33 Fe FE1 A:Sf41 2.56 Fe FE3 A:Sf41 2.52 Fe S4 A:Sf41 2.32 Fe FE2 A:Sf41 0.00 Fe S2 A:Sf41 3.86 Fe FE4 A:Sf41 2.56 Fe S3 A:Sf41 2.31 interactive model: Iron binding site 3 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1e08. 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: Lys34, A: Cys35, A: Ile36, A: Gly37, A: Cys38, A: Asp39, A: Cys41, A: Glu56, A: His58, A: Cys76, A: Sf41, conact list: Atom Atom Distance (A) Fe O A:Lys34 4.32 Fe C A:Lys34 4.90 Fe N A:Cys35 4.60 Fe CB A:Cys35 3.22 Fe SG A:Cys35 2.27 Fe C A:Cys35 4.08 Fe CA A:Cys35 3.38 Fe N A:Ile36 4.22 Fe H A:Ile36 3.69 Fe H A:Gly37 4.60 Fe O A:Gly37 3.20 Fe C A:Gly37 4.41 Fe CB A:Cys38 4.84 Fe SG A:Cys38 4.53 Fe N A:Asp39 4.81 Fe H A:Asp39 3.92 Fe SG A:Cys41 4.59 Fe O A:Glu56 4.95 Fe CB A:His58 4.53 Fe ND1 A:His58 4.34 Fe H A:His58 4.88 Fe CE1 A:His58 4.88 Fe HD1 A:His58 4.33 Fe CG A:His58 4.56 Fe SG A:Cys76 4.57 Fe S1 A:Sf41 2.31 Fe FE1 A:Sf41 2.53 Fe FE3 A:Sf41 0.00 Fe S4 A:Sf41 2.32 Fe FE2 A:Sf41 2.52 Fe S2 A:Sf41 2.32 Fe FE4 A:Sf41 2.55 Fe S3 A:Sf41 3.82 interactive model: Iron binding site 4 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1e08. 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: Cys35, A: Gly37, A: Cys38, A: Asp39, A: Cys41, A: Ser42, A: Cys76, A: Ile81, A: Sf41, conact list: Atom Atom Distance (A) Fe SG A:Cys35 4.51 Fe O A:Gly37 4.90 Fe SG A:Cys38 4.48 Fe O A:Asp39 4.76 Fe H A:Asp39 4.31 Fe N A:Cys41 4.54 Fe CB A:Cys41 3.19 Fe SG A:Cys41 2.26 Fe H A:Cys41 3.81 Fe CA A:Cys41 4.39 Fe HG A:Ser42 4.57 Fe H A:Ser42 4.33 Fe OG A:Ser42 4.46 Fe CB A:Cys76 4.90 Fe SG A:Cys76 4.61 Fe CD1 A:Ile81 3.80 Fe CG1 A:Ile81 4.65 Fe S1 A:Sf41 2.31 Fe FE1 A:Sf41 2.62 Fe FE3 A:Sf41 2.55 Fe S4 A:Sf41 3.92 Fe FE2 A:Sf41 2.56 Fe S2 A:Sf41 2.32 Fe FE4 A:Sf41 0.00 Fe S3 A:Sf41 2.31 interactive model: Iron binding site 5 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1e08. 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: Val28, A: Tyr44, A: Cys45, A: Ile50, A: Cys66, A: Cys69, A: Gly70, A: Cys72, A: Sf42, conact list: Atom Atom Distance (A) Fe O A:Val28 3.20 Fe C A:Val28 4.46 Fe CG1 A:Val28 4.29 Fe O A:Tyr44 5.00 Fe SG A:Cys45 4.66 Fe CD1 A:Ile50 4.98 Fe SG A:Cys66 4.44 Fe SG A:Cys69 4.62 Fe H A:Gly70 3.95 Fe O A:Gly70 3.53 Fe N A:Gly70 4.77 Fe C A:Gly70 4.50 Fe N A:Cys72 3.98 Fe CB A:Cys72 3.28 Fe SG A:Cys72 2.24 Fe H A:Cys72 3.56 Fe CA A:Cys72 4.26 Fe S1 A:Sf42 3.92 Fe FE1 A:Sf42 0.00 Fe FE3 A:Sf42 2.62 Fe S4 A:Sf42 2.33 Fe FE2 A:Sf42 2.51 Fe S2 A:Sf42 2.32 Fe FE4 A:Sf42 2.63 Fe S3 A:Sf42 2.32 interactive model: Iron binding site 6 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1e08. 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: Phe27, A: Val28, A: Cys45, A: Cys66, A: Ile67, A: Asn68, A: Cys69, A: Gly70, A: Cys72, A: Sf42, conact list: Atom Atom Distance (A) Fe C A:Phe27 4.65 Fe O A:Phe27 4.10 Fe H1 A:Phe27 4.26 Fe H2 A:Phe27 4.99 Fe O A:Val28 3.81 Fe N A:Val28 4.29 Fe CB A:Val28 4.99 Fe C A:Val28 4.70 Fe CG1 A:Val28 3.98 Fe CA A:Val28 4.87 Fe SG A:Cys45 4.55 Fe CB A:Cys66 3.25 Fe SG A:Cys66 2.17 Fe C A:Cys66 4.56 Fe CA A:Cys66 4.04 Fe N A:Ile67 4.77 Fe H A:Ile67 4.72 Fe N A:Asn68 4.46 Fe H A:Asn68 4.08 Fe C A:Asn68 4.95 Fe CA A:Asn68 4.65 Fe N A:Cys69 4.46 Fe SG A:Cys69 4.63 Fe H A:Cys69 4.09 Fe H A:Gly70 4.25 Fe SG A:Cys72 4.63 Fe S1 A:Sf42 2.31 Fe FE1 A:Sf42 2.51 Fe FE3 A:Sf42 2.57 Fe S4 A:Sf42 2.31 Fe FE2 A:Sf42 0.00 Fe S2 A:Sf42 3.80 Fe FE4 A:Sf42 2.52 Fe S3 A:Sf42 2.31 interactive model: Iron binding site 7 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 1e08. 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: Tyr44, A: Cys45, A: Cys66, A: Asn68, A: Cys69, A: Gly70, A: Cys72, A: Sf42, conact list: Atom Atom Distance (A) Fe C A:Tyr44 4.40 Fe O A:Tyr44 3.27 Fe SG A:Cys45 4.61 Fe CA A:Cys45 4.88 Fe SG A:Cys66 4.46 Fe C A:Asn68 4.89 Fe N A:Cys69 3.89 Fe CB A:Cys69 3.39 Fe SG A:Cys69 2.26 Fe H A:Cys69 3.75 Fe C A:Cys69 4.29 Fe CA A:Cys69 4.02 Fe H A:Gly70 3.22 Fe O A:Gly70 3.15 Fe N A:Gly70 3.85 Fe C A:Gly70 4.22 Fe CA A:Gly70 4.66 Fe N A:Cys72 4.94 Fe SG A:Cys72 4.56 Fe H A:Cys72 4.34 Fe S1 A:Sf42 2.33 Fe FE1 A:Sf42 2.62 Fe FE3 A:Sf42 0.00 Fe S4 A:Sf42 2.33 Fe FE2 A:Sf42 2.57 Fe S2 A:Sf42 2.32 Fe FE4 A:Sf42 2.57 Fe S3 A:Sf42 3.91 interactive model: Iron binding site 8 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 1e08. 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: Tyr44, A: Cys45, A: Ile50, A: Cys66, A: Cys69, A: Cys72, A: Sf42, conact list: Atom Atom Distance (A) Fe C A:Tyr44 3.92 Fe O A:Tyr44 3.35 Fe N A:Cys45 3.96 Fe CB A:Cys45 3.35 Fe SG A:Cys45 2.26 Fe H A:Cys45 4.84 Fe CA A:Cys45 3.70 Fe CD1 A:Ile50 4.25 Fe CG1 A:Ile50 4.53 Fe CB A:Cys66 4.84 Fe SG A:Cys66 4.47 Fe SG A:Cys69 4.62 Fe CB A:Cys72 4.82 Fe SG A:Cys72 4.56 Fe S1 A:Sf42 2.33 Fe FE1 A:Sf42 2.63 Fe FE3 A:Sf42 2.57 Fe S4 A:Sf42 3.89 Fe FE2 A:Sf42 2.52 Fe S2 A:Sf42 2.32 Fe FE4 A:Sf42 0.00 Fe S3 A:Sf42 2.32 interactive model: Iron binding site 9 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Iron in the PDB 1e08. 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: Cys69, A: Cys179, A: Pro180, A: Gly181, A: Cys234, A: Lys237, A: Cys378, A: Cys382, A: Sf43, conact list: Atom Atom Distance (A) Fe O A:Cys69 3.12 Fe C A:Cys69 4.17 Fe CA A:Cys69 4.64 Fe SG A:Cys179 4.63 Fe CD A:Pro180 4.74 Fe H A:Gly181 4.79 Fe CB A:Cys234 3.24 Fe SG A:Cys234 2.27 Fe CA A:Cys234 4.40 Fe CE A:Lys237 4.96 Fe SG A:Cys378 4.50 Fe SG A:Cys382 4.72 Fe S1 A:Sf43 3.84 Fe FE1 A:Sf43 0.00 Fe FE3 A:Sf43 2.48 Fe S4 A:Sf43 2.32 Fe FE2 A:Sf43 2.61 Fe S2 A:Sf43 2.32 Fe FE4 A:Sf43 2.60 Fe S3 A:Sf43 2.33 interactive model: Iron binding site 10 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Iron in the PDB 1e08. 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: Cys69, A: Cys179, A: Pro180, A: Gly181, A: Cys234, A: Met376, A: Ala377, A: Cys378, A: Cys382, A: Sf43, conact list: Atom Atom Distance (A) Fe O A:Cys69 4.89 Fe CB A:Cys179 3.53 Fe SG A:Cys179 2.31 Fe C A:Cys179 4.58 Fe CA A:Cys179 4.03 Fe N A:Pro180 4.82 Fe CD A:Pro180 4.71 Fe H A:Gly181 4.52 Fe SG A:Cys234 4.65 Fe CE A:Met376 4.72 Fe CG A:Met376 4.96 Fe SD A:Met376 4.02 Fe N A:Ala377 4.36 Fe CB A:Ala377 4.24 Fe H A:Ala377 3.65 Fe CA A:Ala377 4.85 Fe N A:Cys378 4.69 Fe SG A:Cys378 4.59 Fe H A:Cys378 4.15 Fe SG A:Cys382 4.56 Fe S1 A:Sf43 2.32 Fe FE1 A:Sf43 2.61 Fe FE3 A:Sf43 2.64 Fe S4 A:Sf43 2.30 Fe FE2 A:Sf43 0.00 Fe S2 A:Sf43 3.91 Fe FE4 A:Sf43 2.54 Fe S3 A:Sf43 2.32 interactive model: Iron binding site 11 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 11 of Iron in the PDB 1e08. 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: Cys69, A: Cys179, A: Cys234, A: Ala377, A: Cys378, A: Gly381, A: Cys382, A: Gly385, A: Sf43, conact list: Atom Atom Distance (A) Fe O A:Cys69 3.27 Fe C A:Cys69 4.37 Fe SG A:Cys179 4.68 Fe SG A:Cys234 4.49 Fe CB A:Ala377 4.44 Fe H A:Ala377 4.82 Fe C A:Ala377 4.63 Fe CA A:Ala377 4.98 Fe N A:Cys378 3.83 Fe CB A:Cys378 3.16 Fe SG A:Cys378 2.20 Fe H A:Cys378 3.73 Fe CA A:Cys378 4.10 Fe C A:Gly381 4.96 Fe N A:Cys382 4.81 Fe SG A:Cys382 4.67 Fe H A:Cys382 4.88 Fe CA A:Cys382 4.94 Fe O A:Gly385 4.18 Fe C A:Gly385 4.80 Fe S1 A:Sf43 2.33 Fe FE1 A:Sf43 2.48 Fe FE3 A:Sf43 0.00 Fe S4 A:Sf43 2.33 Fe FE2 A:Sf43 2.64 Fe S2 A:Sf43 2.33 Fe FE4 A:Sf43 2.63 Fe S3 A:Sf43 3.88 interactive model: Iron binding site 12 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 12 of Iron in the PDB 1e08. 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: Cys179, A: Cys234, A: Lys237, A: Met376, A: Cys378, A: Gly381, A: Cys382, A: Sf43, conact list: Atom Atom Distance (A) Fe SG A:Cys179 4.71 Fe CB A:Cys234 4.93 Fe SG A:Cys234 4.66 Fe HZ3 A:Lys237 4.28 Fe CE A:Lys237 4.87 Fe HZ2 A:Lys237 4.39 Fe NZ A:Lys237 4.70 Fe CE A:Met376 4.41 Fe SD A:Met376 4.71 Fe CB A:Cys378 4.81 Fe SG A:Cys378 4.57 Fe H A:Cys378 5.00 Fe C A:Gly381 4.29 Fe CA A:Gly381 4.75 Fe N A:Cys382 3.55 Fe CB A:Cys382 3.35 Fe SG A:Cys382 2.29 Fe H A:Cys382 3.13 Fe CA A:Cys382 3.69 Fe S1 A:Sf43 2.32 Fe FE1 A:Sf43 2.60 Fe FE3 A:Sf43 2.63 Fe S4 A:Sf43 3.89 Fe FE2 A:Sf43 2.54 Fe S2 A:Sf43 2.30 Fe FE4 A:Sf43 0.00 Fe S3 A:Sf43 2.32 interactive model: Iron binding site 13 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 13 of Iron in the PDB 1e08. 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: Pro108, A: Ala109, A: Thr145, A: Ala149, A: Pro203, A: Ala293, A: Thr294, A: Ile295, A: Phe296, A: Gly297, A: Pdt4, A: Fe26, A: Cyn7, A: Cyn8, A: Cmo9, A: Cmo10, A: Hoh11, conact list: Atom Atom Distance (A) Fe N A:Pro108 4.56 Fe CB A:Pro108 3.88 Fe CD A:Pro108 3.85 Fe C A:Pro108 4.95 Fe CG A:Pro108 3.96 Fe CA A:Pro108 4.66 Fe N A:Ala109 4.42 Fe H A:Ala109 3.44 Fe O A:Thr145 3.91 Fe CB A:Ala149 3.85 Fe CG A:Pro203 4.66 Fe O A:Ala293 3.31 Fe C A:Ala293 4.03 Fe CA A:Ala293 4.95 Fe N A:Thr294 4.50 Fe C A:Thr294 4.76 Fe CA A:Thr294 4.22 Fe N A:Ile295 4.19 Fe H A:Ile295 3.20 Fe C A:Ile295 4.92 Fe N A:Phe296 3.98 Fe CB A:Phe296 3.83 Fe H A:Phe296 3.04 Fe CA A:Phe296 4.56 Fe H A:Gly297 4.10 Fe S1 A:Pdt4 2.37 Fe S2 A:Pdt4 2.32 Fe C3 A:Pdt4 3.65 Fe C2 A:Pdt4 4.34 Fe C1 A:Pdt4 3.77 Fe FE A:Fe26 0.81 Fe N A:Cyn7 3.23 Fe C A:Cyn7 2.06 Fe N A:Cyn8 2.73 Fe C A:Cyn8 1.52 Fe O A:Cmo9 3.35 Fe C A:Cmo9 2.14 Fe O A:Cmo10 2.48 Fe C A:Cmo10 1.42 Fe O A:Hoh11 1.27 Fe H1 A:Hoh11 2.04 Fe H2 A:Hoh11 2.46 interactive model: Iron binding site 14 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 14 of Iron in the PDB 1e08. 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: Pro108, A: Ala109, A: Thr145, A: Ala149, A: Pro203, A: Ala293, A: Thr294, A: Ile295, A: Phe296, A: Gly297, A: Pdt4, A: Fe25, A: Cyn7, A: Cyn8, A: Cmo9, A: Cmo10, A: Hoh11, conact list: Atom Atom Distance (A) Fe N A:Pro108 4.44 Fe CB A:Pro108 4.11 Fe CD A:Pro108 3.60 Fe CG A:Pro108 3.93 Fe CA A:Pro108 4.79 Fe N A:Ala109 4.72 Fe H A:Ala109 3.71 Fe O A:Thr145 3.58 Fe C A:Thr145 4.78 Fe CB A:Ala149 3.61 Fe CB A:Pro203 4.64 Fe CD A:Pro203 4.96 Fe CG A:Pro203 3.91 Fe O A:Ala293 3.84 Fe C A:Ala293 4.66 Fe CA A:Thr294 5.00 Fe N A:Ile295 4.97 Fe H A:Ile295 3.97 Fe N A:Phe296 4.49 Fe CB A:Phe296 3.95 Fe H A:Phe296 3.54 Fe CG A:Phe296 4.95 Fe CA A:Phe296 4.85 Fe H A:Gly297 4.30 Fe S1 A:Pdt4 2.54 Fe S2 A:Pdt4 2.52 Fe C3 A:Pdt4 3.40 Fe C2 A:Pdt4 4.01 Fe C1 A:Pdt4 3.55 Fe FE A:Fe25 0.81 Fe N A:Cyn7 2.60 Fe C A:Cyn7 1.41 Fe N A:Cyn8 3.40 Fe C A:Cyn8 2.20 Fe O A:Cmo9 2.63 Fe C A:Cmo9 1.43 Fe O A:Cmo10 3.14 Fe C A:Cmo10 2.14 Fe O A:Hoh11 1.31 Fe H1 A:Hoh11 2.46 Fe H2 A:Hoh11 2.22 interactive model: Iron binding site 15 out of 15 in 1e08 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 15 of Iron in the PDB 1e08. 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: E: His14, E: Met57, E: Hem80, conact list: Atom Atom Distance (A) Fe NE2 E:His14 2.25 Fe ND1 E:His14 4.37 Fe CD2 E:His14 3.30 Fe CE1 E:His14 3.19 Fe CG E:His14 4.43 Fe CB E:Met57 4.90 Fe CE E:Met57 3.60 Fe CG E:Met57 3.60 Fe SD E:Met57 2.30 Fe C2D E:Hem80 4.24 Fe NC E:Hem80 1.96 Fe CHB E:Hem80 3.37 Fe CHC E:Hem80 3.37 Fe C3D E:Hem80 4.24 Fe NA E:Hem80 1.95 Fe CHA E:Hem80 3.37 Fe C2A E:Hem80 4.25 Fe C1D E:Hem80 3.01 Fe C4A E:Hem80 3.00 Fe C4B E:Hem80 3.00 Fe C3A E:Hem80 4.24 Fe C4C E:Hem80 3.01 Fe C2B E:Hem80 4.23 Fe C1C E:Hem80 3.00 Fe C2C E:Hem80 4.23 Fe ND E:Hem80 1.96 Fe CHD E:Hem80 3.38 Fe C1B E:Hem80 3.00 Fe NB E:Hem80 1.95 Fe FE E:Hem80 0.00 Fe C3C E:Hem80 4.27 Fe C3B E:Hem80 4.24 Fe C4D E:Hem80 3.01 Fe C1A E:Hem80 3.01 interactive model: