Iron in the structure of Crystal Structure Of the K142A Mutant of E. Coli Muty (Core Fragment) (pdb 1kg4)

The binding sites of Iron atom in the structure of Crystal Structure Of the K142A Mutant of E. Coli Muty (Core Fragment) (pdb code 1kg4). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1kg4 structure was solved by R.GILBOA, A.KILSHTEIN, D.O.ZHARKOV, J.H.KYCIA, S.E.GERCHMAN, A.P.GROLLMAN, G.SHOHAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.6 Space group C121 a (A) 83.030 b (A) 50.060 c (A) 69.880 alpha (°) 90.00 beta (°) 122.60 gamma (°) 90.00 Rfactor (%) 15.1 Rfree (%) 19.7 Iron Binding Sites: Iron binding site 1 out of 4 in 1kg4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1kg4. 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 4.71 Fe SG A:Cys192 4.65 Fe SG A:Cys199 4.86 Fe CA A:Cys199 4.81 Fe CB A:Cys202 3.07 Fe SG A:Cys202 2.33 Fe CA A:Cys202 4.56 Fe N A:Leu204 4.98 Fe CB A:Leu204 4.43 Fe CD1 A:Leu204 4.96 Fe C A:Leu204 4.90 Fe N A:Gln205 4.83 Fe SG A:Cys208 4.87 Fe S1 A:Sf4300 3.89 Fe FE1 A:Sf4300 0.00 Fe FE3 A:Sf4300 2.76 Fe S4 A:Sf4300 2.32 Fe FE2 A:Sf4300 2.71 Fe S2 A:Sf4300 2.29 Fe FE4 A:Sf4300 2.73 Fe S3 A:Sf4300 2.31 interactive model: Iron binding site 2 out of 4 in 1kg4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1kg4. 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 4.38 Fe CD A:Arg147 4.20 Fe CG A:Arg147 4.90 Fe NH1 A:Arg147 4.76 Fe CB A:Cys192 3.23 Fe SG A:Cys192 2.32 Fe CA A:Cys192 4.02 Fe CB A:Pro197 4.48 Fe CG A:Pro197 4.96 Fe SG A:Cys199 4.86 Fe SG A:Cys202 4.75 Fe SG A:Cys208 4.88 Fe S1 A:Sf4300 2.27 Fe FE1 A:Sf4300 2.71 Fe FE3 A:Sf4300 2.76 Fe S4 A:Sf4300 2.32 Fe FE2 A:Sf4300 0.00 Fe S2 A:Sf4300 3.90 Fe FE4 A:Sf4300 2.75 Fe S3 A:Sf4300 2.33 interactive model: Iron binding site 3 out of 4 in 1kg4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1kg4. 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: Cys199, A: Cys202, A: Cys208, A: Ala211, A: Sf4300, conact list: Atom Atom Distance (A) Fe SG A:Cys192 4.87 Fe CB A:Pro197 4.30 Fe CG A:Pro197 4.54 Fe N A:Cys199 4.17 Fe CB A:Cys199 3.25 Fe SG A:Cys199 2.29 Fe C A:Cys199 4.87 Fe CA A:Cys199 3.59 Fe CB A:Cys202 4.66 Fe SG A:Cys202 4.83 Fe SG A:Cys208 4.70 Fe CB A:Ala211 4.53 Fe S1 A:Sf4300 2.32 Fe FE1 A:Sf4300 2.76 Fe FE3 A:Sf4300 0.00 Fe S4 A:Sf4300 2.29 Fe FE2 A:Sf4300 2.76 Fe S2 A:Sf4300 2.30 Fe FE4 A:Sf4300 2.72 Fe S3 A:Sf4300 3.94 interactive model: Iron binding site 4 out of 4 in 1kg4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1kg4. 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 4.49 Fe C A:Arg147 4.91 Fe N A:Cys148 4.72 Fe CA A:Cys148 4.89 Fe SG A:Cys192 4.91 Fe SG A:Cys199 4.67 Fe SG A:Cys202 4.89 Fe CB A:Cys208 3.24 Fe SG A:Cys208 2.33 Fe CA A:Cys208 4.68 Fe CB A:Ala210 4.96 Fe N A:Ala211 4.55 Fe CB A:Ala211 4.40 Fe S1 A:Sf4300 2.30 Fe FE1 A:Sf4300 2.73 Fe FE3 A:Sf4300 2.72 Fe S4 A:Sf4300 3.91 Fe FE2 A:Sf4300 2.75 Fe S2 A:Sf4300 2.31 Fe FE4 A:Sf4300 0.00 Fe S3 A:Sf4300 2.30 interactive model: