Iron in the structure of Mitochondrial Rhodoquinol-Fumarate Reductase From The Parasitic Nematode Ascaris Suum With the Specific Inhibitor Flutolanil and Substrate Fumarate (pdb 3vrb)

The binding sites of Iron atom in the structure of Mitochondrial Rhodoquinol-Fumarate Reductase From The Parasitic Nematode Ascaris Suum With the Specific Inhibitor Flutolanil and Substrate Fumarate (pdb code 3vrb). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3vrb structure was solved by H.SHIMIZU, T.SHIBA, D.K.INAOKA, A.OSANAI, K.KITA, K.SAKAMOTO, S.HARADA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.4-2.9 Space group P212121 a (A) 124.306 b (A) 131.649 c (A) 222.519 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.4 Rfree (%) 27.2 Iron Binding Sites: Iron binding site 1 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3vrb. 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: Cys89, B: Arg90, B: Gly92, B: Cys94, B: Ser96, B: Cys97, B: Leu107, B: Cys109, B: Fes301, conact list: Atom Atom Distance (A) Fe SG B:Cys89 4.21 Fe N B:Arg90 4.58 Fe N B:Gly92 4.72 Fe CA B:Gly92 4.56 Fe SG B:Cys94 4.36 Fe N B:Ser96 4.98 Fe O B:Cys97 4.90 Fe N B:Cys97 3.86 Fe CB B:Cys97 3.30 Fe SG B:Cys97 2.00 Fe C B:Cys97 4.81 Fe CA B:Cys97 4.12 Fe CB B:Leu107 4.71 Fe CD2 B:Leu107 4.92 Fe N B:Cys109 4.13 Fe CB B:Cys109 3.12 Fe SG B:Cys109 2.05 Fe CA B:Cys109 4.23 Fe S1 B:Fes301 2.14 Fe S2 B:Fes301 2.19 Fe FE1 B:Fes301 0.00 Fe FE2 B:Fes301 2.76 interactive model: Iron binding site 2 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3vrb. 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: Ser88, B: Cys89, B: Arg90, B: Gly92, B: Ile93, B: Cys94, B: Gly95, B: Ser96, B: Cys97, B: Cys109, B: Fes301, conact list: Atom Atom Distance (A) Fe N B:Ser88 4.52 Fe C B:Ser88 4.41 Fe CA B:Ser88 4.89 Fe N B:Cys89 3.23 Fe CB B:Cys89 3.12 Fe SG B:Cys89 2.24 Fe C B:Cys89 4.17 Fe CA B:Cys89 3.58 Fe N B:Arg90 3.87 Fe CA B:Arg90 5.00 Fe N B:Gly92 4.46 Fe C B:Gly92 4.66 Fe CA B:Gly92 4.57 Fe N B:Ile93 3.85 Fe C B:Ile93 4.37 Fe CA B:Ile93 4.73 Fe N B:Cys94 3.21 Fe CB B:Cys94 3.11 Fe SG B:Cys94 2.15 Fe C B:Cys94 4.08 Fe CA B:Cys94 3.58 Fe N B:Gly95 3.68 Fe C B:Gly95 4.89 Fe CA B:Gly95 4.72 Fe N B:Ser96 4.28 Fe CB B:Ser96 4.93 Fe OG B:Ser96 4.93 Fe N B:Cys97 4.83 Fe SG B:Cys97 4.54 Fe SG B:Cys109 3.95 Fe S1 B:Fes301 2.19 Fe S2 B:Fes301 2.14 Fe FE1 B:Fes301 2.76 Fe FE2 B:Fes301 0.00 interactive model: Iron binding site 3 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3vrb. 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: Cys182, B: Ile183, B: Leu184, B: Cys185, B: Ala186, B: Cys187, B: Cys188, B: Cys249, B: Pro250, B: Sf4302, conact list: Atom Atom Distance (A) Fe SG B:Cys182 4.40 Fe CG1 B:Ile183 4.72 Fe N B:Leu184 4.62 Fe C B:Leu184 4.53 Fe CA B:Leu184 4.81 Fe N B:Cys185 3.39 Fe CB B:Cys185 3.22 Fe SG B:Cys185 1.68 Fe C B:Cys185 4.07 Fe CA B:Cys185 3.73 Fe N B:Ala186 3.64 Fe C B:Ala186 4.77 Fe CA B:Ala186 4.62 Fe N B:Cys187 3.96 Fe CB B:Cys187 4.27 Fe CA B:Cys187 4.72 Fe N B:Cys188 4.70 Fe SG B:Cys188 4.44 Fe SG B:Cys249 4.42 Fe CD B:Pro250 4.89 Fe CG B:Pro250 4.87 Fe S1 B:Sf4302 3.93 Fe FE1 B:Sf4302 0.00 Fe FE3 B:Sf4302 2.69 Fe S4 B:Sf4302 2.25 Fe FE2 B:Sf4302 2.68 Fe S2 B:Sf4302 2.28 Fe FE4 B:Sf4302 2.58 Fe S3 B:Sf4302 2.26 interactive model: Iron binding site 4 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3vrb. 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: Cys182, B: Cys185, B: Cys188, B: Cys249, B: Pro250, B: Lys251, B: Leu253, B: Sf4302, conact list: Atom Atom Distance (A) Fe SG B:Cys182 4.43 Fe SG B:Cys185 3.99 Fe SG B:Cys188 4.64 Fe CB B:Cys249 3.42 Fe SG B:Cys249 1.91 Fe C B:Cys249 4.57 Fe CA B:Cys249 4.04 Fe N B:Pro250 4.87 Fe CD B:Pro250 4.57 Fe N B:Lys251 4.80 Fe CB B:Lys251 4.60 Fe CB B:Leu253 4.47 Fe CD1 B:Leu253 3.72 Fe CG B:Leu253 4.52 Fe S1 B:Sf4302 2.26 Fe FE1 B:Sf4302 2.68 Fe FE3 B:Sf4302 2.59 Fe S4 B:Sf4302 2.28 Fe FE2 B:Sf4302 0.00 Fe S2 B:Sf4302 3.89 Fe FE4 B:Sf4302 2.58 Fe S3 B:Sf4302 2.30 interactive model: Iron binding site 5 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 3vrb. 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: Cys182, B: Ile183, B: Leu184, B: Cys185, B: Cys188, B: Cys249, B: Leu253, B: Sf4302, conact list: Atom Atom Distance (A) Fe CB B:Cys182 3.31 Fe SG B:Cys182 1.95 Fe C B:Cys182 4.20 Fe CA B:Cys182 3.72 Fe N B:Ile183 4.00 Fe N B:Leu184 4.08 Fe CA B:Leu184 4.58 Fe N B:Cys185 4.56 Fe SG B:Cys185 4.27 Fe SG B:Cys188 4.67 Fe SG B:Cys249 4.35 Fe CD1 B:Leu253 4.13 Fe S1 B:Sf4302 2.27 Fe FE1 B:Sf4302 2.69 Fe FE3 B:Sf4302 0.00 Fe S4 B:Sf4302 2.27 Fe FE2 B:Sf4302 2.59 Fe S2 B:Sf4302 2.31 Fe FE4 B:Sf4302 2.50 Fe S3 B:Sf4302 3.82 interactive model: Iron binding site 6 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 3vrb. 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: Cys182, B: Cys185, B: Ala186, B: Cys187, B: Cys188, B: Ala206, B: Cys249, B: Sf4302, conact list: Atom Atom Distance (A) Fe SG B:Cys182 4.09 Fe SG B:Cys185 4.12 Fe N B:Ala186 4.72 Fe N B:Cys187 4.63 Fe N B:Cys188 3.96 Fe CB B:Cys188 3.37 Fe SG B:Cys188 2.30 Fe CA B:Cys188 4.32 Fe CB B:Ala206 4.32 Fe CA B:Ala206 4.52 Fe SG B:Cys249 4.11 Fe S1 B:Sf4302 2.30 Fe FE1 B:Sf4302 2.58 Fe FE3 B:Sf4302 2.50 Fe S4 B:Sf4302 3.72 Fe FE2 B:Sf4302 2.58 Fe S2 B:Sf4302 2.30 Fe FE4 B:Sf4302 0.00 Fe S3 B:Sf4302 2.29 interactive model: Iron binding site 7 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 3vrb. 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: Cys192, B: Tyr202, B: Cys239, B: His240, B: Thr241, B: Ile242, B: Met243, B: Cys245, B: Ile259, B: F3s303, conact list: Atom Atom Distance (A) Fe SG B:Cys192 4.50 Fe OH B:Tyr202 3.91 Fe CB B:Cys239 3.38 Fe SG B:Cys239 2.51 Fe C B:Cys239 4.46 Fe CA B:Cys239 3.89 Fe N B:His240 4.28 Fe N B:Thr241 4.05 Fe C B:Thr241 4.80 Fe CA B:Thr241 4.29 Fe N B:Ile242 4.43 Fe N B:Met243 4.99 Fe SG B:Cys245 4.07 Fe CD1 B:Ile259 4.32 Fe S1 B:F3s303 2.23 Fe FE1 B:F3s303 0.00 Fe FE3 B:F3s303 2.53 Fe S4 B:F3s303 3.75 Fe S2 B:F3s303 2.17 Fe FE4 B:F3s303 2.52 Fe S3 B:F3s303 2.08 interactive model: Iron binding site 8 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 3vrb. 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: Cys192, B: Pro205, B: Cys239, B: Met243, B: Asn244, B: Cys245, B: F3s303, conact list: Atom Atom Distance (A) Fe CB B:Cys192 4.60 Fe SG B:Cys192 4.24 Fe CB B:Pro205 4.66 Fe CG B:Pro205 4.95 Fe SG B:Cys239 4.88 Fe N B:Met243 4.17 Fe C B:Met243 4.73 Fe CA B:Met243 4.55 Fe N B:Asn244 4.82 Fe N B:Cys245 3.85 Fe CB B:Cys245 3.12 Fe SG B:Cys245 1.91 Fe CA B:Cys245 4.09 Fe S1 B:F3s303 2.20 Fe FE1 B:F3s303 2.53 Fe FE3 B:F3s303 0.00 Fe S4 B:F3s303 2.17 Fe S2 B:F3s303 3.50 Fe FE4 B:F3s303 2.53 Fe S3 B:F3s303 2.14 interactive model: Iron binding site 9 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Iron in the PDB 3vrb. 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: Cys192, B: Ser194, B: Tyr202, B: Cys239, B: Ile242, B: Cys245, B: F3s303, conact list: Atom Atom Distance (A) Fe CB B:Cys192 3.25 Fe SG B:Cys192 2.08 Fe C B:Cys192 4.89 Fe CA B:Cys192 4.25 Fe CB B:Ser194 4.45 Fe OG B:Ser194 4.88 Fe CE2 B:Tyr202 4.68 Fe CZ B:Tyr202 4.97 Fe OH B:Tyr202 4.21 Fe SG B:Cys239 4.83 Fe CB B:Ile242 4.75 Fe CD1 B:Ile242 4.36 Fe CG1 B:Ile242 4.96 Fe SG B:Cys245 4.40 Fe S1 B:F3s303 3.72 Fe FE1 B:F3s303 2.52 Fe FE3 B:F3s303 2.53 Fe S4 B:F3s303 2.22 Fe S2 B:F3s303 2.18 Fe FE4 B:F3s303 0.00 Fe S3 B:F3s303 2.12 interactive model: Iron binding site 10 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Iron in the PDB 3vrb. 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: C: His75, C: His131, D: His95, C: Hem201, conact list: Atom Atom Distance (A) Fe NE2 C:His75 4.60 Fe NE2 C:His131 1.99 Fe ND1 C:His131 4.10 Fe CD2 C:His131 2.96 Fe CE1 C:His131 3.00 Fe CG C:His131 4.11 Fe NE2 D:His95 1.93 Fe ND1 D:His95 3.97 Fe CD2 D:His95 2.95 Fe CE1 D:His95 2.86 Fe CG D:His95 4.06 Fe C2D C:Hem201 4.32 Fe NC C:Hem201 1.94 Fe CHB C:Hem201 3.36 Fe CHC C:Hem201 3.36 Fe C3D C:Hem201 4.36 Fe NA C:Hem201 1.97 Fe CHA C:Hem201 3.42 Fe C2A C:Hem201 4.23 Fe C1D C:Hem201 3.09 Fe C4A C:Hem201 3.00 Fe C4B C:Hem201 2.95 Fe C3A C:Hem201 4.22 Fe C4C C:Hem201 2.96 Fe C2B C:Hem201 4.16 Fe C1C C:Hem201 2.96 Fe C2C C:Hem201 4.17 Fe ND C:Hem201 2.09 Fe CHD C:Hem201 3.40 Fe C1B C:Hem201 2.95 Fe NB C:Hem201 1.92 Fe FE C:Hem201 0.00 Fe C3C C:Hem201 4.15 Fe C3B C:Hem201 4.15 Fe C4D C:Hem201 3.11 Fe C1A C:Hem201 3.01 interactive model: Iron binding site 11 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 11 of Iron in the PDB 3vrb. 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: F: Cys89, F: Arg90, F: Gly92, F: Cys94, F: Gly95, F: Ser96, F: Cys97, F: Leu107, F: Cys109, F: Fes301, conact list: Atom Atom Distance (A) Fe SG F:Cys89 4.25 Fe N F:Arg90 4.88 Fe N F:Gly92 4.50 Fe CA F:Gly92 4.50 Fe SG F:Cys94 4.41 Fe N F:Gly95 4.99 Fe N F:Ser96 4.61 Fe C F:Ser96 4.83 Fe O F:Cys97 4.53 Fe N F:Cys97 3.65 Fe CB F:Cys97 2.99 Fe SG F:Cys97 1.73 Fe C F:Cys97 4.50 Fe CA F:Cys97 3.86 Fe CB F:Leu107 4.61 Fe CD2 F:Leu107 4.47 Fe N F:Cys109 4.06 Fe CB F:Cys109 3.23 Fe SG F:Cys109 2.12 Fe CA F:Cys109 4.23 Fe S1 F:Fes301 2.12 Fe S2 F:Fes301 2.18 Fe FE1 F:Fes301 0.00 Fe FE2 F:Fes301 2.80 interactive model: Iron binding site 12 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 12 of Iron in the PDB 3vrb. 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: F: Ser88, F: Cys89, F: Arg90, F: Glu91, F: Gly92, F: Ile93, F: Cys94, F: Gly95, F: Ser96, F: Cys97, F: Cys109, F: Fes301, conact list: Atom Atom Distance (A) Fe N F:Ser88 4.53 Fe CB F:Ser88 4.95 Fe C F:Ser88 4.44 Fe CA F:Ser88 4.85 Fe N F:Cys89 3.31 Fe CB F:Cys89 3.22 Fe SG F:Cys89 1.97 Fe C F:Cys89 4.11 Fe CA F:Cys89 3.70 Fe N F:Arg90 3.90 Fe CA F:Arg90 4.82 Fe N F:Glu91 4.67 Fe N F:Gly92 4.37 Fe C F:Gly92 4.69 Fe CA F:Gly92 4.50 Fe N F:Ile93 3.86 Fe C F:Ile93 4.42 Fe CA F:Ile93 4.74 Fe N F:Cys94 3.29 Fe CB F:Cys94 3.16 Fe SG F:Cys94 2.34 Fe C F:Cys94 4.12 Fe CA F:Cys94 3.63 Fe N F:Gly95 3.77 Fe C F:Gly95 4.95 Fe CA F:Gly95 4.86 Fe N F:Ser96 4.22 Fe CB F:Ser96 4.82 Fe N F:Cys97 4.89 Fe SG F:Cys97 4.43 Fe SG F:Cys109 3.86 Fe S1 F:Fes301 2.16 Fe S2 F:Fes301 2.13 Fe FE1 F:Fes301 2.80 Fe FE2 F:Fes301 0.00 interactive model: Iron binding site 13 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 13 of Iron in the PDB 3vrb. 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: F: Cys182, F: Ile183, F: Leu184, F: Cys185, F: Ala186, F: Cys187, F: Cys188, F: Cys249, F: Pro250, F: Sf4302, conact list: Atom Atom Distance (A) Fe SG F:Cys182 4.29 Fe N F:Ile183 4.93 Fe CG1 F:Ile183 4.63 Fe N F:Leu184 4.59 Fe C F:Leu184 4.54 Fe CA F:Leu184 4.82 Fe N F:Cys185 3.40 Fe CB F:Cys185 3.31 Fe SG F:Cys185 2.08 Fe C F:Cys185 4.23 Fe CA F:Cys185 3.77 Fe N F:Ala186 3.79 Fe C F:Ala186 4.99 Fe CA F:Ala186 4.84 Fe N F:Cys187 4.16 Fe CB F:Cys187 4.67 Fe CA F:Cys187 4.94 Fe N F:Cys188 4.70 Fe SG F:Cys188 3.67 Fe SG F:Cys249 4.74 Fe CD F:Pro250 4.64 Fe CG F:Pro250 4.82 Fe S1 F:Sf4302 3.90 Fe FE1 F:Sf4302 0.00 Fe FE3 F:Sf4302 2.63 Fe S4 F:Sf4302 2.26 Fe FE2 F:Sf4302 2.68 Fe S2 F:Sf4302 2.27 Fe FE4 F:Sf4302 2.56 Fe S3 F:Sf4302 2.27 interactive model: Iron binding site 14 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 14 of Iron in the PDB 3vrb. 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: F: Cys182, F: Cys185, F: Cys188, F: Cys249, F: Pro250, F: Lys251, F: Leu253, F: Sf4302, conact list: Atom Atom Distance (A) Fe SG F:Cys182 4.47 Fe SG F:Cys185 4.30 Fe SG F:Cys188 3.66 Fe CB F:Cys249 3.51 Fe SG F:Cys249 2.23 Fe C F:Cys249 4.55 Fe CA F:Cys249 4.02 Fe N F:Pro250 4.67 Fe CD F:Pro250 4.32 Fe CG F:Pro250 4.97 Fe N F:Lys251 4.76 Fe CB F:Lys251 4.96 Fe CB F:Leu253 4.73 Fe CD1 F:Leu253 3.95 Fe CG F:Leu253 4.70 Fe S1 F:Sf4302 2.28 Fe FE1 F:Sf4302 2.68 Fe FE3 F:Sf4302 2.67 Fe S4 F:Sf4302 2.30 Fe FE2 F:Sf4302 0.00 Fe S2 F:Sf4302 3.88 Fe FE4 F:Sf4302 2.48 Fe S3 F:Sf4302 2.23 interactive model: Iron binding site 15 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 15 of Iron in the PDB 3vrb. 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: F: Cys182, F: Ile183, F: Leu184, F: Cys185, F: Cys188, F: Cys249, F: Leu253, F: Sf4302, conact list: Atom Atom Distance (A) Fe CB F:Cys182 3.21 Fe SG F:Cys182 1.91 Fe C F:Cys182 4.16 Fe CA F:Cys182 3.71 Fe N F:Ile183 3.80 Fe C F:Ile183 4.91 Fe CA F:Ile183 4.94 Fe N F:Leu184 4.03 Fe CA F:Leu184 4.57 Fe N F:Cys185 4.53 Fe SG F:Cys185 4.65 Fe SG F:Cys188 3.91 Fe SG F:Cys249 4.72 Fe CD1 F:Leu253 4.17 Fe S1 F:Sf4302 2.26 Fe FE1 F:Sf4302 2.63 Fe FE3 F:Sf4302 0.00 Fe S4 F:Sf4302 2.27 Fe FE2 F:Sf4302 2.67 Fe S2 F:Sf4302 2.29 Fe FE4 F:Sf4302 2.51 Fe S3 F:Sf4302 3.85 interactive model: Iron binding site 16 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 16 of Iron in the PDB 3vrb. 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: F: Cys182, F: Cys185, F: Ala186, F: Cys187, F: Cys188, F: Ala206, F: Cys249, F: Sf4302, conact list: Atom Atom Distance (A) Fe SG F:Cys182 4.14 Fe SG F:Cys185 4.37 Fe N F:Ala186 4.93 Fe N F:Cys187 4.83 Fe N F:Cys188 3.90 Fe CB F:Cys188 3.23 Fe SG F:Cys188 1.46 Fe CA F:Cys188 4.11 Fe CB F:Ala206 4.53 Fe CA F:Ala206 4.64 Fe SG F:Cys249 4.34 Fe S1 F:Sf4302 2.27 Fe FE1 F:Sf4302 2.56 Fe FE3 F:Sf4302 2.51 Fe S4 F:Sf4302 3.67 Fe FE2 F:Sf4302 2.48 Fe S2 F:Sf4302 2.28 Fe FE4 F:Sf4302 0.00 Fe S3 F:Sf4302 2.30 interactive model: Iron binding site 17 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 17 of Iron in the PDB 3vrb. 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: F: Cys192, F: Tyr202, F: Cys239, F: His240, F: Thr241, F: Ile242, F: Met243, F: Cys245, F: Ile259, F: F3s303, conact list: Atom Atom Distance (A) Fe SG F:Cys192 4.41 Fe CZ F:Tyr202 4.92 Fe OH F:Tyr202 3.71 Fe CB F:Cys239 3.39 Fe SG F:Cys239 2.13 Fe C F:Cys239 4.32 Fe CA F:Cys239 3.79 Fe N F:His240 4.22 Fe C F:His240 4.89 Fe N F:Thr241 3.90 Fe C F:Thr241 4.75 Fe CA F:Thr241 4.16 Fe N F:Ile242 4.27 Fe N F:Met243 4.96 Fe SG F:Cys245 4.25 Fe CD1 F:Ile259 3.96 Fe S1 F:F3s303 2.21 Fe FE1 F:F3s303 0.00 Fe FE3 F:F3s303 2.52 Fe S4 F:F3s303 3.65 Fe S2 F:F3s303 2.18 Fe FE4 F:F3s303 2.51 Fe S3 F:F3s303 2.09 interactive model: Iron binding site 18 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 18 of Iron in the PDB 3vrb. 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: F: Cys192, F: Pro205, F: Cys239, F: Ile242, F: Met243, F: Asn244, F: Cys245, F: Ala256, F: Ile259, F: F3s303, conact list: Atom Atom Distance (A) Fe CB F:Cys192 4.84 Fe SG F:Cys192 4.27 Fe CB F:Pro205 4.70 Fe CG F:Pro205 4.40 Fe SG F:Cys239 4.41 Fe N F:Ile242 5.00 Fe O F:Met243 4.73 Fe N F:Met243 4.17 Fe C F:Met243 4.56 Fe CA F:Met243 4.46 Fe N F:Asn244 4.99 Fe N F:Cys245 3.97 Fe CB F:Cys245 3.04 Fe SG F:Cys245 1.96 Fe CA F:Cys245 4.11 Fe CB F:Ala256 4.88 Fe CD1 F:Ile259 4.58 Fe S1 F:F3s303 2.20 Fe FE1 F:F3s303 2.52 Fe FE3 F:F3s303 0.00 Fe S4 F:F3s303 2.18 Fe S2 F:F3s303 3.60 Fe FE4 F:F3s303 2.51 Fe S3 F:F3s303 2.12 interactive model: Iron binding site 19 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 19 of Iron in the PDB 3vrb. 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: F: Cys192, F: Ser194, F: Tyr202, F: Pro205, F: Cys239, F: Ile242, F: Cys245, F: F3s303, conact list: Atom Atom Distance (A) Fe CB F:Cys192 3.28 Fe SG F:Cys192 2.00 Fe CA F:Cys192 4.31 Fe CB F:Ser194 4.91 Fe CE2 F:Tyr202 4.58 Fe CZ F:Tyr202 4.92 Fe OH F:Tyr202 4.16 Fe CG F:Pro205 4.74 Fe SG F:Cys239 4.54 Fe N F:Ile242 4.94 Fe CB F:Ile242 4.68 Fe CG1 F:Ile242 4.89 Fe CB F:Cys245 4.86 Fe SG F:Cys245 4.36 Fe S1 F:F3s303 3.62 Fe FE1 F:F3s303 2.51 Fe FE3 F:F3s303 2.51 Fe S4 F:F3s303 2.22 Fe S2 F:F3s303 2.17 Fe FE4 F:F3s303 0.00 Fe S3 F:F3s303 2.10 interactive model: Iron binding site 20 out of 20 in 3vrb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 20 of Iron in the PDB 3vrb. 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: G: His131, H: His95, G: Hem201, conact list: Atom Atom Distance (A) Fe NE2 G:His131 2.04 Fe ND1 G:His131 4.08 Fe CD2 G:His131 3.15 Fe CE1 G:His131 2.91 Fe CG G:His131 4.22 Fe NE2 H:His95 1.94 Fe ND1 H:His95 3.96 Fe CD2 H:His95 3.07 Fe CE1 H:His95 2.79 Fe CG H:His95 4.12 Fe C2D G:Hem201 4.23 Fe NC G:Hem201 1.96 Fe CHB G:Hem201 3.37 Fe CHC G:Hem201 3.47 Fe C3D G:Hem201 4.31 Fe NA G:Hem201 2.02 Fe CHA G:Hem201 3.46 Fe C2A G:Hem201 4.28 Fe C1D G:Hem201 2.96 Fe C4A G:Hem201 3.00 Fe C4B G:Hem201 3.07 Fe C3A G:Hem201 4.23 Fe C4C G:Hem201 2.91 Fe C2B G:Hem201 4.23 Fe C1C G:Hem201 3.04 Fe C2C G:Hem201 4.22 Fe ND G:Hem201 2.01 Fe CHD G:Hem201 3.26 Fe C1B G:Hem201 3.01 Fe NB G:Hem201 2.03 Fe FE G:Hem201 0.00 Fe C3C G:Hem201 4.15 Fe C3B G:Hem201 4.26 Fe C4D G:Hem201 3.08 Fe C1A G:Hem201 3.08 interactive model: