Iron in PDB 2qfn: X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata

The structure of X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata, PDB code: 2qfn was solved by V.De Serrano, Z.Chen, M.F.Davis, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.938, 67.091, 68.402, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.4

The binding sites of Iron atom in the X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata (pdb code 2qfn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata, PDB code: 2qfn:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe139 b:16.8 occ:1.00 FE A:HEM139 0.0 16.8 1.0 NB A:HEM139 2.0 14.2 1.0 ND A:HEM139 2.0 16.6 1.0 NA A:HEM139 2.1 15.1 1.0 NC A:HEM139 2.1 14.3 1.0 NE2 A:HIS89 2.1 18.1 1.0 O1 A:OXY186 2.4 19.9 1.0 C4D A:HEM139 3.1 17.2 1.0 C4B A:HEM139 3.1 13.4 1.0 C1D A:HEM139 3.1 16.2 1.0 C1B A:HEM139 3.1 14.4 1.0 CE1 A:HIS89 3.1 19.8 1.0 C4A A:HEM139 3.1 15.7 1.0 C4C A:HEM139 3.1 14.7 1.0 C1A A:HEM139 3.1 16.0 1.0 C1C A:HEM139 3.1 13.3 1.0 CD2 A:HIS89 3.2 18.8 1.0 CHA A:HEM139 3.4 17.6 1.0 CHD A:HEM139 3.4 17.4 1.0 CHC A:HEM139 3.5 15.1 1.0 CHB A:HEM139 3.5 15.7 1.0 O2 A:OXY186 3.6 21.9 1.0 ND1 A:HIS89 4.2 18.8 1.0 CG A:HIS89 4.3 18.8 1.0 C3B A:HEM139 4.3 13.2 1.0 C3D A:HEM139 4.3 17.9 1.0 C2B A:HEM139 4.3 12.4 1.0 C2D A:HEM139 4.3 18.0 1.0 C3A A:HEM139 4.3 16.7 1.0 C2A A:HEM139 4.3 17.0 1.0 C3C A:HEM139 4.3 15.5 1.0 C2C A:HEM139 4.3 14.1 1.0 CG2 A:VAL59 4.5 12.9 1.0 CE1 A:HIS55 4.6 18.1 1.0 CE A:MET86 4.8 23.1 1.0

Iron binding site 2 out of 2 in the X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe139 b:16.2 occ:1.00 FE B:HEM139 0.0 16.2 1.0 NB B:HEM139 2.0 13.2 1.0 NA B:HEM139 2.1 13.2 1.0 NC B:HEM139 2.1 14.4 1.0 ND B:HEM139 2.1 13.6 1.0 NE2 B:HIS89 2.2 15.8 1.0 O1 B:OXY187 2.2 17.6 1.0 C4B B:HEM139 3.1 13.9 1.0 C4C B:HEM139 3.1 15.5 1.0 C4A B:HEM139 3.1 13.7 1.0 C1C B:HEM139 3.1 13.2 1.0 C1D B:HEM139 3.1 15.8 1.0 C1B B:HEM139 3.1 12.4 1.0 C1A B:HEM139 3.1 16.2 1.0 C4D B:HEM139 3.1 16.6 1.0 CE1 B:HIS89 3.1 16.0 1.0 CD2 B:HIS89 3.2 15.8 1.0 O2 B:OXY187 3.3 23.3 1.0 CHC B:HEM139 3.4 13.8 1.0 CHD B:HEM139 3.4 15.8 1.0 CHB B:HEM139 3.4 13.5 1.0 CHA B:HEM139 3.5 15.4 1.0 ND1 B:HIS89 4.2 15.7 1.0 C3C B:HEM139 4.3 15.2 1.0 CG B:HIS89 4.3 16.3 1.0 C3B B:HEM139 4.3 12.8 1.0 C2C B:HEM139 4.3 15.2 1.0 C2B B:HEM139 4.3 12.4 1.0 C3A B:HEM139 4.3 14.2 1.0 C2A B:HEM139 4.3 15.5 1.0 C2D B:HEM139 4.3 16.6 1.0 C3D B:HEM139 4.3 17.3 1.0 CG2 B:VAL59 4.5 13.1 1.0 CE1 B:HIS55 4.6 17.7 1.0 CE B:MET86 4.7 17.8 1.0

V.De Serrano, Z.Chen, M.F.Davis, S.Franzen. X-Ray Crystal Structural Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned From Amphitrite Ornata Acta Crystallogr.,Sect.D V. 63 1094 2007.
ISSN: ISSN 0907-4449
PubMed: 17881827
DOI: 10.1107/S0907444907043417