Iron in PDB 4dwu: Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution

The structure of Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution, PDB code: 4dwu was solved by V.S.De Serrano, J.Zhao, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.20 / 1.44
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.922, 67.622, 68.391, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.2

The binding sites of Iron atom in the Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution (pdb code 4dwu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution, PDB code: 4dwu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.6 occ:1.00 FE A:HEM201 0.0 11.6 1.0 C A:CMO202 1.9 13.8 1.0 NC A:HEM201 2.0 11.9 1.0 NA A:HEM201 2.0 13.1 1.0 NE2 A:HIS89 2.1 14.4 1.0 ND A:HEM201 2.1 13.5 1.0 NB A:HEM201 2.1 11.3 1.0 O A:CMO202 3.0 12.3 1.0 CE1 A:HIS89 3.0 14.0 1.0 CD2 A:HIS89 3.1 15.0 1.0 C4B A:HEM201 3.1 11.7 1.0 C4C A:HEM201 3.1 12.4 1.0 C1D A:HEM201 3.1 13.8 1.0 C1C A:HEM201 3.1 11.9 1.0 C4A A:HEM201 3.1 13.1 1.0 C4D A:HEM201 3.1 14.2 1.0 C1A A:HEM201 3.1 14.0 1.0 C1B A:HEM201 3.1 11.7 1.0 CHC A:HEM201 3.5 11.3 1.0 CHD A:HEM201 3.5 13.0 1.0 CHB A:HEM201 3.5 11.9 1.0 CHA A:HEM201 3.6 13.6 1.0 ND1 A:HIS89 4.2 14.6 1.0 CG A:HIS89 4.2 15.5 1.0 C3C A:HEM201 4.3 12.5 1.0 C3B A:HEM201 4.4 11.0 1.0 C2C A:HEM201 4.4 11.7 1.0 C2A A:HEM201 4.4 14.9 1.0 C3A A:HEM201 4.4 13.6 1.0 C2D A:HEM201 4.4 15.0 1.0 C3D A:HEM201 4.4 15.9 1.0 C2B A:HEM201 4.4 11.6 1.0 CG2 A:VAL59 4.5 12.1 1.0 CE A:MET86 4.7 15.7 0.6 CG1 A:VAL59 4.7 10.0 1.0

Iron binding site 2 out of 2 in the Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 1.44 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:9.1 occ:1.00 FE B:HEM201 0.0 9.1 1.0 C B:CMO202 1.9 9.6 0.8 NC B:HEM201 2.0 9.9 1.0 NA B:HEM201 2.0 9.9 1.0 ND B:HEM201 2.1 10.6 1.0 NB B:HEM201 2.1 9.2 1.0 NE2 B:HIS89 2.2 10.2 1.0 O B:CMO202 3.0 9.4 0.8 C4C B:HEM201 3.0 10.3 1.0 C1D B:HEM201 3.0 11.4 1.0 C1A B:HEM201 3.0 11.2 1.0 C4B B:HEM201 3.1 9.6 1.0 C1C B:HEM201 3.1 10.0 1.0 C4D B:HEM201 3.1 12.1 1.0 CE1 B:HIS89 3.1 10.4 1.0 C4A B:HEM201 3.1 9.7 1.0 C1B B:HEM201 3.1 9.2 1.0 CD2 B:HIS89 3.2 11.2 1.0 CHD B:HEM201 3.4 11.0 1.0 CHC B:HEM201 3.5 9.4 1.0 CHA B:HEM201 3.5 11.5 1.0 CHB B:HEM201 3.6 9.8 1.0 ND1 B:HIS89 4.3 10.9 1.0 C3C B:HEM201 4.3 10.8 1.0 C2A B:HEM201 4.3 11.1 1.0 CG B:HIS89 4.3 11.5 1.0 CG2 B:VAL59 4.3 8.0 1.0 C2C B:HEM201 4.3 10.1 1.0 C2D B:HEM201 4.3 12.5 1.0 C3B B:HEM201 4.4 9.4 1.0 C3A B:HEM201 4.4 10.2 1.0 C3D B:HEM201 4.4 13.8 1.0 C2B B:HEM201 4.4 9.5 1.0 CG1 B:VAL59 4.8 7.8 1.0 NE2 B:HIS55 4.9 12.8 0.2 CE B:MET86 4.9 15.3 1.0

V.S.De Serrano, J.Zhao, S.Franzen. A Unique Role For the Distal Histidine Observed in Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structures To Be Published.