Iron in the structure of Catalytic Domain of Muty From Escherichia Coli D138N Mutant (pdb 1mun)

The binding sites of Iron atom in the structure of Catalytic Domain of Muty From Escherichia Coli D138N Mutant (pdb code 1mun). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1mun 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) 20.0-1.2 Space group C121 a (A) 82.500 b (A) 49.000 c (A) 69.400 alpha (°) 90.00 beta (°) 122.90 gamma (°) 90.00 Rfactor (%) 12.4 Rfree (%) 16.9 Iron Binding Sites: Iron binding site 1 out of 4 in 1mun Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1mun. 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 4.70 Fe SG A:Cys192 4.64 Fe SG A:Cys199 4.85 Fe CA A:Cys199 4.75 Fe CB A:Cys202 3.06 Fe SG A:Cys202 2.30 Fe CA A:Cys202 4.54 Fe N A:Leu204 4.99 Fe CB A:Leu204 4.40 Fe C A:Leu204 4.91 Fe N A:Gln205 4.82 Fe SG A:Cys208 4.80 Fe S1 A:Sf4300 3.90 Fe FE1 A:Sf4300 0.00 Fe FE3 A:Sf4300 2.77 Fe S4 A:Sf4300 2.28 Fe FE2 A:Sf4300 2.70 Fe S2 A:Sf4300 2.26 Fe FE4 A:Sf4300 2.72 Fe S3 A:Sf4300 2.26 interactive model: Iron binding site 2 out of 4 in 1mun Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1mun. 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 4.43 Fe CD A:Arg147 4.13 Fe CG A:Arg147 4.92 Fe NH1 A:Arg147 4.60 Fe N A:Cys192 4.88 Fe CB A:Cys192 3.19 Fe SG A:Cys192 2.29 Fe CA A:Cys192 3.93 Fe CB A:Pro197 4.39 Fe CG A:Pro197 4.92 Fe SG A:Cys199 4.81 Fe SG A:Cys202 4.74 Fe SG A:Cys208 4.80 Fe S1 A:Sf4300 2.27 Fe FE1 A:Sf4300 2.70 Fe FE3 A:Sf4300 2.74 Fe S4 A:Sf4300 2.29 Fe FE2 A:Sf4300 0.00 Fe S2 A:Sf4300 3.88 Fe FE4 A:Sf4300 2.73 Fe S3 A:Sf4300 2.30 interactive model: Iron binding site 3 out of 4 in 1mun Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1mun. 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 4.82 Fe CB A:Pro197 4.23 Fe CG A:Pro197 4.43 Fe C A:Lys198 4.98 Fe N A:Cys199 4.17 Fe CB A:Cys199 3.19 Fe SG A:Cys199 2.26 Fe C A:Cys199 4.80 Fe CA A:Cys199 3.53 Fe CB A:Cys202 4.64 Fe SG A:Cys202 4.80 Fe SG A:Cys208 4.62 Fe CB A:Ala211 4.48 Fe S1 A:Sf4300 2.31 Fe FE1 A:Sf4300 2.77 Fe FE3 A:Sf4300 0.00 Fe S4 A:Sf4300 2.28 Fe FE2 A:Sf4300 2.74 Fe S2 A:Sf4300 2.32 Fe FE4 A:Sf4300 2.68 Fe S3 A:Sf4300 3.88 interactive model: Iron binding site 4 out of 4 in 1mun Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1mun. 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 4.45 Fe C A:Arg147 4.95 Fe N A:Cys148 4.79 Fe SG A:Cys148 4.51 Fe SG A:Cys192 4.84 Fe SG A:Cys199 4.61 Fe SG A:Cys202 4.84 Fe CB A:Cys208 3.20 Fe SG A:Cys208 2.28 Fe CA A:Cys208 4.63 Fe CB A:Ala210 4.85 Fe N A:Ala211 4.47 Fe CB A:Ala211 4.35 Fe CA A:Ala211 4.94 Fe S1 A:Sf4300 2.30 Fe FE1 A:Sf4300 2.72 Fe FE3 A:Sf4300 2.68 Fe S4 A:Sf4300 3.85 Fe FE2 A:Sf4300 2.73 Fe S2 A:Sf4300 2.29 Fe FE4 A:Sf4300 0.00 Fe S3 A:Sf4300 2.26 interactive model: