Iron in the structure of Histidinol Phosphate Phosphatase Complexed With Sulfate (pdb 2yxo)

The binding sites of Iron atom in the structure of Histidinol Phosphate Phosphatase Complexed With Sulfate (pdb code 2yxo). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2yxo structure was solved by R.OMI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 38.9-1.6 Space group P21212 a (A) 84.771 b (A) 97.190 c (A) 74.289 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.2 Rfree (%) 22.1 Iron Binding Sites: Iron binding site 1 out of 4 in 2yxo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2yxo. 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: His5, A: His38, A: Glu80, A: Ser106, A: His108, A: Asp116, A: His154, A: Asp224, A: So42001, A: Fe503, A: Hoh2059, A: Hoh2082, A: Hoh2123, conact list: Atom Atom Distance (A) Fe NE2 A:His5 4.85 Fe CE1 A:His5 4.74 Fe CE1 A:His38 4.37 Fe OE1 A:Glu80 3.44 Fe OE2 A:Glu80 2.20 Fe CD A:Glu80 3.17 Fe CG A:Glu80 4.52 Fe CB A:Ser106 4.33 Fe OG A:Ser106 4.17 Fe NE2 A:His108 2.26 Fe ND1 A:His108 4.27 Fe CD2 A:His108 3.34 Fe CE1 A:His108 3.10 Fe CG A:His108 4.41 Fe OD2 A:Asp116 4.83 Fe NE2 A:His154 2.29 Fe ND1 A:His154 4.43 Fe CD2 A:His154 3.11 Fe CE1 A:His154 3.39 Fe CG A:His154 4.33 Fe OD2 A:Asp224 4.45 Fe S A:So42001 3.21 Fe O1 A:So42001 3.55 Fe O2 A:So42001 3.66 Fe O4 A:So42001 2.09 Fe O3 A:So42001 4.45 Fe FE A:Fe503 3.48 Fe O A:Hoh2059 4.71 Fe O A:Hoh2082 4.15 Fe O A:Hoh2123 2.09 interactive model: Iron binding site 2 out of 4 in 2yxo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2yxo. 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: His5, A: His7, A: His38, A: Glu80, A: Asp224, A: His226, A: So42001, A: Zn501, A: Fe502, A: Hoh2123, conact list: Atom Atom Distance (A) Fe NE2 A:His5 2.23 Fe ND1 A:His5 4.20 Fe CD2 A:His5 3.28 Fe CE1 A:His5 3.06 Fe CG A:His5 4.34 Fe NE2 A:His7 2.26 Fe ND1 A:His7 4.23 Fe CD2 A:His7 3.33 Fe CE1 A:His7 3.07 Fe CG A:His7 4.38 Fe NE2 A:His38 4.36 Fe ND1 A:His38 4.92 Fe CE1 A:His38 4.03 Fe OE1 A:Glu80 2.18 Fe CB A:Glu80 4.75 Fe OE2 A:Glu80 3.46 Fe CD A:Glu80 3.08 Fe CG A:Glu80 4.33 Fe CB A:Asp224 4.47 Fe OD2 A:Asp224 3.26 Fe OD1 A:Asp224 2.29 Fe CG A:Asp224 3.09 Fe CA A:Asp224 4.77 Fe NE2 A:His226 4.75 Fe CE1 A:His226 4.34 Fe S A:So42001 3.36 Fe O1 A:So42001 2.17 Fe O2 A:So42001 3.95 Fe O4 A:So42001 3.62 Fe O3 A:So42001 4.52 Fe ZN A:Zn501 4.56 Fe FE A:Fe502 3.48 Fe O A:Hoh2123 2.09 interactive model: Iron binding site 3 out of 4 in 2yxo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2yxo. 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: His7, B: Cys11, B: His13, B: His38, B: His226, B: So42002, B: Fe1503, B: Hoh2073, conact list: Atom Atom Distance (A) Fe NE2 B:His7 4.14 Fe ND1 B:His7 4.24 Fe CD2 B:His7 4.32 Fe CE1 B:His7 4.09 Fe CG B:His7 4.39 Fe SG B:Cys11 4.57 Fe NE2 B:His13 2.16 Fe ND1 B:His13 4.27 Fe CD2 B:His13 3.03 Fe CE1 B:His13 3.21 Fe CG B:His13 4.21 Fe NE2 B:His38 2.11 Fe ND1 B:His38 4.16 Fe CD2 B:His38 3.14 Fe CE1 B:His38 3.02 Fe CG B:His38 4.25 Fe NE2 B:His226 2.14 Fe ND1 B:His226 4.23 Fe CD2 B:His226 3.10 Fe CE1 B:His226 3.13 Fe CG B:His226 4.25 Fe S B:So42002 2.94 Fe O1 B:So42002 2.70 Fe O2 B:So42002 3.94 Fe O4 B:So42002 2.12 Fe O3 B:So42002 4.01 Fe FE B:Fe1503 4.57 Fe O B:Hoh2073 4.88 interactive model: Iron binding site 4 out of 4 in 2yxo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2yxo. 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: His5, B: His7, B: His38, B: Glu80, B: Asp224, B: His226, B: So42002, B: Zn1501, B: Fe1502, B: Hoh2132, conact list: Atom Atom Distance (A) Fe NE2 B:His5 2.24 Fe ND1 B:His5 4.21 Fe CD2 B:His5 3.27 Fe CE1 B:His5 3.08 Fe CG B:His5 4.33 Fe NE2 B:His7 2.22 Fe ND1 B:His7 4.20 Fe CD2 B:His7 3.33 Fe CE1 B:His7 3.02 Fe CG B:His7 4.38 Fe NE2 B:His38 4.45 Fe ND1 B:His38 4.97 Fe CE1 B:His38 4.10 Fe OE1 B:Glu80 2.22 Fe CB B:Glu80 4.72 Fe OE2 B:Glu80 3.42 Fe CD B:Glu80 3.08 Fe CG B:Glu80 4.34 Fe CB B:Asp224 4.39 Fe OD2 B:Asp224 3.20 Fe OD1 B:Asp224 2.23 Fe CG B:Asp224 3.02 Fe CA B:Asp224 4.71 Fe NE2 B:His226 4.68 Fe CE1 B:His226 4.19 Fe S B:So42002 3.38 Fe O1 B:So42002 2.17 Fe O2 B:So42002 3.69 Fe O4 B:So42002 4.54 Fe O3 B:So42002 3.94 Fe ZN B:Zn1501 3.50 Fe FE B:Fe1502 4.57 Fe O B:Hoh2132 2.08 interactive model: