Iron in the structure of PHF2 Jumonji-Nog-Fe(II) Complex (pdb 3pu8)

The binding sites of Iron atom in the structure of PHF2 Jumonji-Nog-Fe(II) Complex (pdb code 3pu8). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3pu8 structure was solved by J.R.HORTON, A.K.UPADHYAY, H.HASHIMOTO, X.ZHANG, X.CHENG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 33.9-1.9 Space group P1211 a (A) 65.748 b (A) 98.126 c (A) 66.517 alpha (°) 90.00 beta (°) 90.13 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 23.5 Iron Binding Sites: Iron binding site 1 out of 2 in 3pu8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3pu8. 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: His249, B: Asp251, B: Tyr321, B: His335, B: Oxy2, B: Oga1, B: Hoh37, B: Hoh545, conact list: Atom Atom Distance (A) Fe NE2 B:His249 2.19 Fe ND1 B:His249 4.29 Fe CD2 B:His249 3.15 Fe CE1 B:His249 3.18 Fe CG B:His249 4.30 Fe CB B:Asp251 4.55 Fe OD2 B:Asp251 3.40 Fe OD1 B:Asp251 2.20 Fe CG B:Asp251 3.15 Fe CA B:Asp251 4.93 Fe CE2 B:Tyr321 4.08 Fe CD1 B:Tyr321 4.99 Fe CZ B:Tyr321 3.18 Fe CE1 B:Tyr321 3.77 Fe OH B:Tyr321 2.27 Fe CE1 B:His335 4.58 Fe O1 B:Oxy2 4.49 Fe O2 B:Oxy2 4.94 Fe N1 B:Oga1 4.24 Fe O2 B:Oga1 2.21 Fe C4 B:Oga1 4.94 Fe C1 B:Oga1 2.86 Fe O1 B:Oga1 4.10 Fe O2' B:Oga1 2.21 Fe C2 B:Oga1 2.85 Fe O B:Hoh37 4.84 Fe O B:Hoh545 2.36 interactive model: Iron binding site 2 out of 2 in 3pu8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3pu8. 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: His249, A: Asp251, A: Tyr321, A: His335, A: Oxy1, A: Oga2, A: Hoh475, A: Hoh490, conact list: Atom Atom Distance (A) Fe NE2 A:His249 2.20 Fe ND1 A:His249 4.30 Fe CD2 A:His249 3.14 Fe CE1 A:His249 3.20 Fe CG A:His249 4.30 Fe CB A:Asp251 4.57 Fe OD2 A:Asp251 3.51 Fe OD1 A:Asp251 2.20 Fe CG A:Asp251 3.21 Fe CA A:Asp251 4.90 Fe CE2 A:Tyr321 4.05 Fe CZ A:Tyr321 3.18 Fe CE1 A:Tyr321 3.79 Fe OH A:Tyr321 2.29 Fe CE1 A:His335 4.71 Fe O2 A:Oxy1 4.41 Fe N1 A:Oga2 4.35 Fe O2 A:Oga2 2.28 Fe C1 A:Oga2 2.97 Fe O1 A:Oga2 4.19 Fe O2' A:Oga2 2.31 Fe C2 A:Oga2 2.97 Fe O A:Hoh475 2.40 Fe O A:Hoh490 4.80 interactive model: