Iron in the structure of Structure of A Trapped Endonuclease III-Dna Covalent Intermediate: Estranged-Guanine Complex (pdb 1orn)

The binding sites of Iron atom in the structure of Structure of A Trapped Endonuclease III-Dna Covalent Intermediate: Estranged-Guanine Complex (pdb code 1orn). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1orn structure was solved by J.C.FROMME, G.L.VERDINE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.6-1.7 Space group P21212 a (A) 67.826 b (A) 106.828 c (A) 41.708 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.5 Rfree (%) 24.8 Iron Binding Sites: Iron binding site 1 out of 4 in 1orn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1orn. 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: Phe184, A: His188, A: Cys189, A: Cys196, A: Cys199, A: Leu201, A: Leu202, A: Cys205, A: Sf4300, conact list: Atom Atom Distance (A) Fe CE2 A:Phe184 4.80 Fe CZ A:Phe184 4.27 Fe NE2 A:His188 4.53 Fe CD2 A:His188 4.59 Fe SG A:Cys189 4.97 Fe CA A:Cys196 4.54 Fe CB A:Cys199 3.07 Fe SG A:Cys199 2.33 Fe CA A:Cys199 4.55 Fe CB A:Leu201 4.80 Fe C A:Leu201 4.97 Fe N A:Leu202 4.76 Fe SG A:Cys205 4.95 Fe S1 A:Sf4300 3.91 Fe FE1 A:Sf4300 0.00 Fe FE3 A:Sf4300 2.65 Fe S4 A:Sf4300 2.32 Fe FE2 A:Sf4300 2.76 Fe S2 A:Sf4300 2.27 Fe FE4 A:Sf4300 2.66 Fe S3 A:Sf4300 2.35 interactive model: Iron binding site 2 out of 4 in 1orn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1orn. 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: Arg148, A: Phe184, A: Cys189, A: Pro194, A: Cys196, A: Cys199, A: Cys205, A: Sf4300, conact list: Atom Atom Distance (A) Fe CD A:Arg148 4.56 Fe NH1 A:Arg148 4.68 Fe CE2 A:Phe184 4.43 Fe CZ A:Phe184 4.71 Fe N A:Cys189 4.96 Fe CB A:Cys189 3.29 Fe SG A:Cys189 2.39 Fe C A:Cys189 4.99 Fe CA A:Cys189 3.95 Fe CB A:Pro194 4.50 Fe SG A:Cys196 4.94 Fe SG A:Cys199 4.89 Fe SG A:Cys205 4.83 Fe S1 A:Sf4300 2.33 Fe FE1 A:Sf4300 2.76 Fe FE3 A:Sf4300 2.68 Fe S4 A:Sf4300 2.31 Fe FE2 A:Sf4300 0.00 Fe S2 A:Sf4300 3.82 Fe FE4 A:Sf4300 2.67 Fe S3 A:Sf4300 2.16 interactive model: Iron binding site 3 out of 4 in 1orn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1orn. 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: Cys189, A: Pro194, A: Gln195, A: Cys196, A: Cys199, A: Cys205, A: Gly208, A: Sf4300, conact list: Atom Atom Distance (A) Fe SG A:Cys189 4.83 Fe CB A:Pro194 4.18 Fe CG A:Pro194 4.90 Fe C A:Gln195 4.70 Fe N A:Cys196 3.86 Fe CB A:Cys196 3.34 Fe SG A:Cys196 2.55 Fe C A:Cys196 4.82 Fe CA A:Cys196 3.46 Fe CB A:Cys199 4.62 Fe SG A:Cys199 4.73 Fe SG A:Cys205 4.84 Fe N A:Gly208 4.51 Fe CA A:Gly208 3.98 Fe S1 A:Sf4300 2.30 Fe FE1 A:Sf4300 2.65 Fe FE3 A:Sf4300 0.00 Fe S4 A:Sf4300 2.21 Fe FE2 A:Sf4300 2.68 Fe S2 A:Sf4300 2.21 Fe FE4 A:Sf4300 2.71 Fe S3 A:Sf4300 3.79 interactive model: Iron binding site 4 out of 4 in 1orn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1orn. 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: Leu149, A: Cys189, A: Cys196, A: Cys199, A: Cys205, A: Glu207, A: Gly208, A: Sf4300, conact list: Atom Atom Distance (A) Fe CD1 A:Leu149 3.96 Fe SG A:Cys189 4.79 Fe SG A:Cys196 4.97 Fe SG A:Cys199 4.75 Fe CB A:Cys205 3.21 Fe SG A:Cys205 2.45 Fe CA A:Cys205 4.69 Fe CB A:Glu207 4.76 Fe C A:Glu207 4.87 Fe N A:Gly208 3.85 Fe CA A:Gly208 4.02 Fe S1 A:Sf4300 2.29 Fe FE1 A:Sf4300 2.66 Fe FE3 A:Sf4300 2.71 Fe S4 A:Sf4300 3.85 Fe FE2 A:Sf4300 2.67 Fe S2 A:Sf4300 2.20 Fe FE4 A:Sf4300 0.00 Fe S3 A:Sf4300 2.23 interactive model: