Iron in the structure of Crystal Structure of Catalase Hpii From Escherichia Coli, HIS128ALA Variant. (pdb 1ggh)

The binding sites of Iron atom in the structure of Crystal Structure of Catalase Hpii From Escherichia Coli, HIS128ALA Variant. (pdb code 1ggh). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1ggh structure was solved by W.R.MELIK-ADAMYAN, J.BRAVO, X.CARPENA, J.SWITALA, M.J.MATE, I.FITA, P.C.LOEWEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 87.7-2.1 Space group P1211 a (A) 93.040 b (A) 132.340 c (A) 121.200 alpha (°) 90.00 beta (°) 109.63 gamma (°) 90.00 Rfactor (%) 15 Rfree (%) 20.6 Iron Binding Sites: Iron binding site 1 out of 4 in 1ggh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1ggh. 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: Val127, A: Phe214, A: Arg411, A: Tyr415, A: Hem760, A: Hoh1039, A: Hoh1041, conact list: Atom Atom Distance (A) Fe CG2 A:Val127 4.59 Fe CZ A:Phe214 4.78 Fe CZ A:Arg411 4.49 Fe NE A:Arg411 4.06 Fe NH2 A:Arg411 4.14 Fe CE2 A:Tyr415 3.84 Fe CD1 A:Tyr415 4.87 Fe CZ A:Tyr415 2.96 Fe CE1 A:Tyr415 3.62 Fe OH A:Tyr415 2.01 Fe C2D A:Hem760 4.25 Fe NC A:Hem760 2.03 Fe CHB A:Hem760 3.40 Fe CHC A:Hem760 3.47 Fe C3D A:Hem760 4.24 Fe NA A:Hem760 2.01 Fe CHA A:Hem760 3.38 Fe C2A A:Hem760 4.26 Fe C1D A:Hem760 3.05 Fe C4A A:Hem760 3.04 Fe C4B A:Hem760 3.06 Fe C3A A:Hem760 4.26 Fe C4C A:Hem760 3.03 Fe C2B A:Hem760 4.26 Fe C1C A:Hem760 3.05 Fe C2C A:Hem760 4.25 Fe ND A:Hem760 2.02 Fe CHD A:Hem760 3.45 Fe C1B A:Hem760 3.04 Fe NB A:Hem760 2.03 Fe FE A:Hem760 0.00 Fe C3C A:Hem760 4.25 Fe C3B A:Hem760 4.27 Fe C4D A:Hem760 3.02 Fe C1A A:Hem760 3.04 Fe O A:Hoh1039 3.98 Fe O A:Hoh1041 4.28 interactive model: Iron binding site 2 out of 4 in 1ggh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1ggh. 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: B: Val127, B: Phe214, B: Arg411, B: Tyr415, B: Hem760, B: Hoh1097, B: Hoh1099, conact list: Atom Atom Distance (A) Fe CG2 B:Val127 4.68 Fe CZ B:Phe214 4.73 Fe CD B:Arg411 4.98 Fe CZ B:Arg411 4.48 Fe NE B:Arg411 4.03 Fe NH2 B:Arg411 4.15 Fe CE2 B:Tyr415 3.84 Fe CD1 B:Tyr415 4.90 Fe CZ B:Tyr415 2.96 Fe CE1 B:Tyr415 3.64 Fe OH B:Tyr415 1.97 Fe C2D B:Hem760 4.23 Fe NC B:Hem760 2.02 Fe CHB B:Hem760 3.42 Fe CHC B:Hem760 3.42 Fe C3D B:Hem760 4.25 Fe NA B:Hem760 2.04 Fe CHA B:Hem760 3.47 Fe C2A B:Hem760 4.28 Fe C1D B:Hem760 3.01 Fe C4A B:Hem760 3.06 Fe C4B B:Hem760 3.03 Fe C3A B:Hem760 4.28 Fe C4C B:Hem760 3.03 Fe C2B B:Hem760 4.24 Fe C1C B:Hem760 3.04 Fe C2C B:Hem760 4.23 Fe ND B:Hem760 2.02 Fe CHD B:Hem760 3.40 Fe C1B B:Hem760 3.04 Fe NB B:Hem760 2.02 Fe FE B:Hem760 0.00 Fe C3C B:Hem760 4.24 Fe C3B B:Hem760 4.23 Fe C4D B:Hem760 3.05 Fe C1A B:Hem760 3.06 Fe O B:Hoh1097 4.06 Fe O B:Hoh1099 4.41 interactive model: Iron binding site 3 out of 4 in 1ggh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1ggh. 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: C: Val127, C: Phe214, C: Arg411, C: Tyr415, C: Hem760, C: Hoh1130, C: Hoh1132, conact list: Atom Atom Distance (A) Fe CG2 C:Val127 4.65 Fe CZ C:Phe214 4.78 Fe CD C:Arg411 4.92 Fe CZ C:Arg411 4.50 Fe NE C:Arg411 3.92 Fe NH2 C:Arg411 4.17 Fe CE2 C:Tyr415 3.93 Fe CD1 C:Tyr415 4.92 Fe CZ C:Tyr415 3.00 Fe CE1 C:Tyr415 3.64 Fe OH C:Tyr415 1.98 Fe C2D C:Hem760 4.26 Fe NC C:Hem760 2.03 Fe CHB C:Hem760 3.43 Fe CHC C:Hem760 3.46 Fe C3D C:Hem760 4.26 Fe NA C:Hem760 2.01 Fe CHA C:Hem760 3.44 Fe C2A C:Hem760 4.25 Fe C1D C:Hem760 3.04 Fe C4A C:Hem760 3.04 Fe C4B C:Hem760 3.07 Fe C3A C:Hem760 4.26 Fe C4C C:Hem760 3.04 Fe C2B C:Hem760 4.27 Fe C1C C:Hem760 3.06 Fe C2C C:Hem760 4.26 Fe ND C:Hem760 2.02 Fe CHD C:Hem760 3.40 Fe C1B C:Hem760 3.05 Fe NB C:Hem760 2.03 Fe FE C:Hem760 0.00 Fe C3C C:Hem760 4.26 Fe C3B C:Hem760 4.27 Fe C4D C:Hem760 3.05 Fe C1A C:Hem760 3.04 Fe O C:Hoh1130 4.00 Fe O C:Hoh1132 4.14 interactive model: Iron binding site 4 out of 4 in 1ggh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1ggh. 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: D: Val127, D: Phe214, D: Arg411, D: Tyr415, D: Hem760, D: Hoh1183, D: Hoh1185, conact list: Atom Atom Distance (A) Fe CG2 D:Val127 4.73 Fe CZ D:Phe214 4.75 Fe CD D:Arg411 4.94 Fe CZ D:Arg411 4.41 Fe NE D:Arg411 3.93 Fe NH2 D:Arg411 4.09 Fe CE2 D:Tyr415 3.93 Fe CZ D:Tyr415 3.05 Fe CE1 D:Tyr415 3.77 Fe OH D:Tyr415 1.98 Fe C2D D:Hem760 4.27 Fe NC D:Hem760 2.03 Fe CHB D:Hem760 3.43 Fe CHC D:Hem760 3.41 Fe C3D D:Hem760 4.26 Fe NA D:Hem760 2.03 Fe CHA D:Hem760 3.43 Fe C2A D:Hem760 4.26 Fe C1D D:Hem760 3.05 Fe C4A D:Hem760 3.07 Fe C4B D:Hem760 3.03 Fe C3A D:Hem760 4.28 Fe C4C D:Hem760 3.05 Fe C2B D:Hem760 4.22 Fe C1C D:Hem760 3.06 Fe C2C D:Hem760 4.27 Fe ND D:Hem760 2.03 Fe CHD D:Hem760 3.42 Fe C1B D:Hem760 3.03 Fe NB D:Hem760 2.01 Fe FE D:Hem760 0.00 Fe C3C D:Hem760 4.26 Fe C3B D:Hem760 4.22 Fe C4D D:Hem760 3.05 Fe C1A D:Hem760 3.04 Fe O D:Hoh1183 4.00 Fe O D:Hoh1185 4.03 interactive model: