Iron in the structure of Catalytic Domain of Muty From Escherichia Coli (pdb 1muy)

The binding sites of Iron atom in the structure of Catalytic Domain of Muty From Escherichia Coli (pdb code 1muy). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1muy structure was solved by Y.GUAN, J.A.TAINER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.4 Space group C121 a (A) 83.060 b (A) 48.950 c (A) 69.030 alpha (°) 90.00 beta (°) 123.37 gamma (°) 90.00 Rfactor (%) 15.3 Rfree (%) 23.1 Iron Binding Sites: Iron binding site 1 out of 4 in 1muy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1muy. 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: Cys192, A: Cys199, A: Cys202, A: Leu204, A: Gln205, A: Cys208, A: Sf4300, conact list: Atom Atom Distance (A) Fe CB A:Cys192 4.68 Fe SG A:Cys192 4.57 Fe CB A:Cys199 4.95 Fe SG A:Cys199 4.79 Fe CA A:Cys199 4.70 Fe CB A:Cys202 3.02 Fe SG A:Cys202 2.28 Fe CA A:Cys202 4.52 Fe CB A:Leu204 4.43 Fe C A:Leu204 4.93 Fe N A:Gln205 4.86 Fe CB A:Cys208 4.93 Fe SG A:Cys208 4.76 Fe S1 A:Sf4300 3.87 Fe FE1 A:Sf4300 0.00 Fe FE3 A:Sf4300 2.75 Fe S4 A:Sf4300 2.29 Fe FE2 A:Sf4300 2.66 Fe S2 A:Sf4300 2.21 Fe FE4 A:Sf4300 2.67 Fe S3 A:Sf4300 2.22 interactive model: Iron binding site 2 out of 4 in 1muy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1muy. 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: Arg147, A: Cys192, A: Pro197, A: Cys199, A: Cys202, A: Cys208, A: Sf4300, conact list: Atom Atom Distance (A) Fe CB A:Arg147 4.37 Fe CD A:Arg147 4.07 Fe CG A:Arg147 4.86 Fe NH1 A:Arg147 4.59 Fe N A:Cys192 4.92 Fe CB A:Cys192 3.19 Fe SG A:Cys192 2.25 Fe C A:Cys192 4.98 Fe CA A:Cys192 3.93 Fe CB A:Pro197 4.35 Fe CG A:Pro197 4.88 Fe SG A:Cys199 4.74 Fe SG A:Cys202 4.68 Fe SG A:Cys208 4.77 Fe S1 A:Sf4300 2.23 Fe FE1 A:Sf4300 2.66 Fe FE3 A:Sf4300 2.71 Fe S4 A:Sf4300 2.25 Fe FE2 A:Sf4300 0.00 Fe S2 A:Sf4300 3.82 Fe FE4 A:Sf4300 2.70 Fe S3 A:Sf4300 2.27 interactive model: Iron binding site 3 out of 4 in 1muy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1muy. 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: Cys192, A: Pro197, A: Lys198, A: Cys199, A: Cys202, A: Cys208, A: Ala211, A: Sf4300, conact list: Atom Atom Distance (A) Fe SG A:Cys192 4.76 Fe CB A:Pro197 4.19 Fe CG A:Pro197 4.44 Fe C A:Lys198 4.99 Fe O A:Cys199 4.99 Fe N A:Cys199 4.18 Fe CB A:Cys199 3.13 Fe SG A:Cys199 2.22 Fe C A:Cys199 4.78 Fe CA A:Cys199 3.51 Fe CB A:Cys202 4.59 Fe SG A:Cys202 4.76 Fe SG A:Cys208 4.58 Fe CB A:Ala211 4.47 Fe S1 A:Sf4300 2.29 Fe FE1 A:Sf4300 2.75 Fe FE3 A:Sf4300 0.00 Fe S4 A:Sf4300 2.32 Fe FE2 A:Sf4300 2.71 Fe S2 A:Sf4300 2.30 Fe FE4 A:Sf4300 2.65 Fe S3 A:Sf4300 3.86 interactive model: Iron binding site 4 out of 4 in 1muy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1muy. 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: Arg147, A: Cys148, A: Cys192, A: Cys199, A: Cys202, A: Cys208, A: Ala210, A: Ala211, A: Sf4300, conact list: Atom Atom Distance (A) Fe CB A:Arg147 4.42 Fe C A:Arg147 4.97 Fe N A:Cys148 4.77 Fe CA A:Cys148 4.98 Fe SG A:Cys192 4.78 Fe SG A:Cys199 4.56 Fe SG A:Cys202 4.78 Fe CB A:Cys208 3.16 Fe SG A:Cys208 2.27 Fe CA A:Cys208 4.63 Fe CB A:Ala210 4.88 Fe N A:Ala211 4.37 Fe CB A:Ala211 4.30 Fe CA A:Ala211 4.87 Fe S1 A:Sf4300 2.33 Fe FE1 A:Sf4300 2.67 Fe FE3 A:Sf4300 2.65 Fe S4 A:Sf4300 3.84 Fe FE2 A:Sf4300 2.70 Fe S2 A:Sf4300 2.25 Fe FE4 A:Sf4300 0.00 Fe S3 A:Sf4300 2.28 interactive model: