Iron in the structure of Crystal Structure of Bovine Xanthine Oxidase in Complex With Indole-3- Aldehyde (pdb 3nvz)

The binding sites of Iron atom in the structure of Crystal Structure of Bovine Xanthine Oxidase in Complex With Indole-3- Aldehyde (pdb code 3nvz). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3nvz structure was solved by H.CAO, R.HILLE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 45.2-1.6 Space group P1211 a (A) 133.409 b (A) 73.704 c (A) 138.922 alpha (°) 90.00 beta (°) 97.12 gamma (°) 90.00 Rfactor (%) 21.5 Rfree (%) 24.6 Iron Binding Sites: Iron binding site 1 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3nvz. 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: Gln112, A: Cys113, A: Gly114, A: Phe115, A: Cys116, A: Cys148, A: Arg149, A: Cys150, A: Fes601, C: Hoh419, conact list: Atom Atom Distance (A) Fe CB A:Gln112 4.85 Fe C A:Gln112 4.75 Fe N A:Cys113 3.65 Fe CB A:Cys113 3.35 Fe SG A:Cys113 2.37 Fe C A:Cys113 4.30 Fe CA A:Cys113 3.90 Fe N A:Gly114 3.92 Fe CA A:Gly114 4.92 Fe N A:Phe115 4.36 Fe N A:Cys116 4.91 Fe SG A:Cys116 4.64 Fe SG A:Cys148 4.44 Fe N A:Arg149 4.72 Fe N A:Cys150 4.11 Fe CB A:Cys150 3.33 Fe SG A:Cys150 2.47 Fe CA A:Cys150 4.35 Fe S1 A:Fes601 2.24 Fe S2 A:Fes601 2.25 Fe FE1 A:Fes601 0.00 Fe FE2 A:Fes601 2.70 Fe O C:Hoh419 3.65 interactive model: Iron binding site 2 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3nvz. 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: Cys113, A: Cys116, A: Leu147, A: Cys148, A: Arg149, A: Cys150, A: Thr151, A: Fes601, A: Hoh177, conact list: Atom Atom Distance (A) Fe SG A:Cys113 4.73 Fe N A:Cys116 4.20 Fe CB A:Cys116 3.38 Fe SG A:Cys116 2.28 Fe CA A:Cys116 4.38 Fe O A:Leu147 4.90 Fe N A:Cys148 4.95 Fe CB A:Cys148 3.29 Fe SG A:Cys148 2.42 Fe C A:Cys148 4.22 Fe CA A:Cys148 3.63 Fe N A:Arg149 4.05 Fe N A:Cys150 4.33 Fe CB A:Cys150 4.44 Fe SG A:Cys150 4.55 Fe CA A:Cys150 4.98 Fe CG2 A:Thr151 4.73 Fe S1 A:Fes601 2.22 Fe S2 A:Fes601 2.20 Fe FE1 A:Fes601 2.70 Fe FE2 A:Fes601 0.00 Fe O A:Hoh177 4.35 interactive model: Iron binding site 3 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3nvz. 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: Cys43, A: Gly44, A: Glu45, A: Gly46, A: Cys48, A: Gly49, A: Cys51, A: Asn71, A: Cys73, A: Fes602, conact list: Atom Atom Distance (A) Fe SG A:Cys43 4.43 Fe N A:Gly44 4.42 Fe CA A:Gly44 4.75 Fe N A:Glu45 4.89 Fe N A:Gly46 4.36 Fe CA A:Gly46 4.59 Fe SG A:Cys48 4.74 Fe N A:Gly49 4.85 Fe N A:Cys51 4.39 Fe CB A:Cys51 3.39 Fe SG A:Cys51 2.31 Fe CA A:Cys51 4.51 Fe CB A:Asn71 4.25 Fe OD1 A:Asn71 4.38 Fe CG A:Asn71 4.52 Fe CA A:Asn71 4.90 Fe N A:Cys73 4.19 Fe CB A:Cys73 3.06 Fe SG A:Cys73 2.32 Fe CA A:Cys73 4.22 Fe S1 A:Fes602 2.24 Fe S2 A:Fes602 2.24 Fe FE1 A:Fes602 0.00 Fe FE2 A:Fes602 2.80 interactive model: Iron binding site 4 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3nvz. 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: Gly42, A: Cys43, A: Gly44, A: Glu45, A: Gly46, A: Gly47, A: Cys48, A: Gly49, A: Ala50, A: Cys51, A: Cys73, A: Fes602, conact list: Atom Atom Distance (A) Fe O A:Gly42 4.90 Fe N A:Gly42 4.33 Fe C A:Gly42 4.03 Fe CA A:Gly42 4.34 Fe N A:Cys43 3.30 Fe CB A:Cys43 3.50 Fe SG A:Cys43 2.36 Fe C A:Cys43 4.30 Fe CA A:Cys43 3.84 Fe N A:Gly44 3.86 Fe CA A:Gly44 4.92 Fe N A:Glu45 4.69 Fe N A:Gly46 4.44 Fe C A:Gly46 4.81 Fe CA A:Gly46 4.84 Fe N A:Gly47 4.43 Fe C A:Gly47 4.71 Fe N A:Cys48 3.52 Fe CB A:Cys48 3.44 Fe SG A:Cys48 2.34 Fe C A:Cys48 4.19 Fe CA A:Cys48 3.86 Fe N A:Gly49 3.81 Fe CA A:Gly49 4.84 Fe N A:Ala50 4.47 Fe SG A:Cys51 4.63 Fe SG A:Cys73 4.53 Fe S1 A:Fes602 2.26 Fe S2 A:Fes602 2.28 Fe FE1 A:Fes602 2.80 Fe FE2 A:Fes602 0.00 interactive model: Iron binding site 5 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 3nvz. 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: J: Gln112, J: Cys113, J: Gly114, J: Phe115, J: Cys116, J: Cys148, J: Arg149, J: Cys150, J: Fes601, L: Hoh372, conact list: Atom Atom Distance (A) Fe CB J:Gln112 4.87 Fe C J:Gln112 4.70 Fe N J:Cys113 3.59 Fe CB J:Cys113 3.36 Fe SG J:Cys113 2.36 Fe C J:Cys113 4.30 Fe CA J:Cys113 3.89 Fe N J:Gly114 3.90 Fe CA J:Gly114 4.93 Fe N J:Phe115 4.36 Fe N J:Cys116 4.94 Fe SG J:Cys116 4.64 Fe SG J:Cys148 4.44 Fe N J:Arg149 4.72 Fe N J:Cys150 4.16 Fe CB J:Cys150 3.38 Fe SG J:Cys150 2.51 Fe CA J:Cys150 4.40 Fe S1 J:Fes601 2.20 Fe S2 J:Fes601 2.23 Fe FE1 J:Fes601 0.00 Fe FE2 J:Fes601 2.67 Fe O L:Hoh372 3.69 interactive model: Iron binding site 6 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 3nvz. 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: J: Cys113, J: Cys116, J: Leu147, J: Cys148, J: Arg149, J: Cys150, J: Thr151, J: Fes601, J: Hoh183, conact list: Atom Atom Distance (A) Fe SG J:Cys113 4.70 Fe N J:Cys116 4.25 Fe CB J:Cys116 3.47 Fe SG J:Cys116 2.35 Fe CA J:Cys116 4.47 Fe O J:Leu147 4.91 Fe CB J:Cys148 3.32 Fe SG J:Cys148 2.43 Fe C J:Cys148 4.28 Fe CA J:Cys148 3.69 Fe N J:Arg149 4.07 Fe N J:Cys150 4.35 Fe CB J:Cys150 4.44 Fe SG J:Cys150 4.54 Fe CA J:Cys150 4.98 Fe CG2 J:Thr151 4.76 Fe S1 J:Fes601 2.23 Fe S2 J:Fes601 2.21 Fe FE1 J:Fes601 2.67 Fe FE2 J:Fes601 0.00 Fe O J:Hoh183 4.35 interactive model: Iron binding site 7 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Iron in the PDB 3nvz. 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: J: Cys43, J: Gly44, J: Glu45, J: Gly46, J: Cys48, J: Gly49, J: Cys51, J: Asn71, J: Cys73, J: Fes602, conact list: Atom Atom Distance (A) Fe SG J:Cys43 4.45 Fe N J:Gly44 4.43 Fe CA J:Gly44 4.73 Fe N J:Glu45 4.89 Fe N J:Gly46 4.38 Fe CA J:Gly46 4.60 Fe SG J:Cys48 4.65 Fe N J:Gly49 4.73 Fe N J:Cys51 4.33 Fe CB J:Cys51 3.40 Fe SG J:Cys51 2.31 Fe CA J:Cys51 4.50 Fe CB J:Asn71 4.27 Fe OD1 J:Asn71 4.43 Fe CG J:Asn71 4.49 Fe CA J:Asn71 4.96 Fe N J:Cys73 4.21 Fe CB J:Cys73 3.11 Fe SG J:Cys73 2.40 Fe CA J:Cys73 4.26 Fe S1 J:Fes602 2.23 Fe S2 J:Fes602 2.22 Fe FE1 J:Fes602 0.00 Fe FE2 J:Fes602 2.75 interactive model: Iron binding site 8 out of 8 in 3nvz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Iron in the PDB 3nvz. 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: J: Gly42, J: Cys43, J: Gly44, J: Glu45, J: Gly46, J: Gly47, J: Cys48, J: Gly49, J: Ala50, J: Cys51, J: Cys73, J: Fes602, conact list: Atom Atom Distance (A) Fe O J:Gly42 4.86 Fe N J:Gly42 4.34 Fe C J:Gly42 4.08 Fe CA J:Gly42 4.40 Fe N J:Cys43 3.44 Fe CB J:Cys43 3.48 Fe SG J:Cys43 2.39 Fe C J:Cys43 4.30 Fe CA J:Cys43 3.87 Fe N J:Gly44 3.87 Fe CA J:Gly44 4.89 Fe N J:Glu45 4.66 Fe N J:Gly46 4.48 Fe C J:Gly46 4.81 Fe CA J:Gly46 4.87 Fe N J:Gly47 4.35 Fe C J:Gly47 4.74 Fe N J:Cys48 3.55 Fe CB J:Cys48 3.37 Fe SG J:Cys48 2.32 Fe C J:Cys48 4.16 Fe CA J:Cys48 3.84 Fe N J:Gly49 3.79 Fe CA J:Gly49 4.84 Fe N J:Ala50 4.46 Fe CB J:Ala50 4.95 Fe SG J:Cys51 4.63 Fe SG J:Cys73 4.52 Fe S1 J:Fes602 2.25 Fe S2 J:Fes602 2.25 Fe FE1 J:Fes602 2.75 Fe FE2 J:Fes602 0.00 interactive model: