Iron in PDB 4dwt: Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 2.05 Angstrom Resolution

The structure of Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 2.05 Angstrom Resolution, PDB code: 4dwt 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)	35.00 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.910, 67.470, 68.720, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.8

The binding sites of Iron atom in the Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 2.05 Angstrom Resolution (pdb code 4dwt). 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 2.05 Angstrom Resolution, PDB code: 4dwt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 2.05 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 2.05 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.7 occ:1.00 FE A:HEM201 0.0 19.7 1.0 NC A:HEM201 2.0 19.9 1.0 NE2 A:HIS89 2.0 19.2 1.0 NA A:HEM201 2.0 19.8 1.0 NB A:HEM201 2.1 18.6 1.0 ND A:HEM201 2.1 20.6 1.0 C A:CMO202 2.2 18.4 1.0 CD2 A:HIS89 2.9 20.7 1.0 CE1 A:HIS89 3.0 19.9 1.0 C4C A:HEM201 3.0 19.9 1.0 C1C A:HEM201 3.1 18.9 1.0 C4A A:HEM201 3.1 19.7 1.0 C1A A:HEM201 3.1 20.5 1.0 C4B A:HEM201 3.1 17.9 1.0 C1D A:HEM201 3.1 20.3 1.0 C1B A:HEM201 3.2 18.2 1.0 C4D A:HEM201 3.2 21.4 1.0 O A:CMO202 3.4 18.7 1.0 CHD A:HEM201 3.5 19.9 1.0 CHC A:HEM201 3.5 18.5 1.0 CHB A:HEM201 3.5 18.4 1.0 CHA A:HEM201 3.6 20.4 1.0 ND1 A:HIS89 4.1 20.1 1.0 CG A:HIS89 4.1 20.5 1.0 C3C A:HEM201 4.3 19.7 1.0 C2C A:HEM201 4.3 19.0 1.0 C2A A:HEM201 4.4 20.3 1.0 C3A A:HEM201 4.4 19.9 1.0 C3B A:HEM201 4.4 17.6 1.0 C2D A:HEM201 4.5 20.8 1.0 C2B A:HEM201 4.5 17.3 1.0 C3D A:HEM201 4.5 21.8 1.0 CG2 A:VAL59 4.7 15.7 1.0 CE A:MET86 4.7 18.6 0.6 CG1 A:VAL59 4.7 14.9 1.0

Iron binding site 2 out of 2 in the Carbonmonoxy Dehaloperoxidase-Hemoglobin A Structure at 2.05 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 2.05 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:19.0 occ:1.00 FE B:HEM201 0.0 19.0 1.0 C B:CMO202 1.9 11.6 0.8 NC B:HEM201 1.9 17.8 1.0 NA B:HEM201 2.0 18.4 1.0 NB B:HEM201 2.1 17.9 1.0 ND B:HEM201 2.1 19.2 1.0 NE2 B:HIS89 2.3 19.9 1.0 C4C B:HEM201 3.0 17.8 1.0 O B:CMO202 3.0 12.1 0.8 C1C B:HEM201 3.0 17.4 1.0 C1A B:HEM201 3.1 18.5 1.0 C4B B:HEM201 3.1 17.9 1.0 C4A B:HEM201 3.1 18.3 1.0 C1D B:HEM201 3.1 19.2 1.0 C4D B:HEM201 3.2 19.9 1.0 C1B B:HEM201 3.2 17.9 1.0 CE1 B:HIS89 3.2 19.7 1.0 CD2 B:HIS89 3.3 19.2 1.0 CHD B:HEM201 3.4 18.1 1.0 CHC B:HEM201 3.4 17.4 1.0 CHA B:HEM201 3.6 18.9 1.0 CHB B:HEM201 3.6 17.5 1.0 CG2 B:VAL59 4.2 14.5 1.0 C3C B:HEM201 4.2 17.5 1.0 C2C B:HEM201 4.3 17.5 1.0 C2A B:HEM201 4.4 18.3 1.0 C3A B:HEM201 4.4 18.1 1.0 ND1 B:HIS89 4.4 19.4 1.0 C3B B:HEM201 4.4 17.5 1.0 CG B:HIS89 4.4 19.5 1.0 C2D B:HEM201 4.5 20.2 1.0 C3D B:HEM201 4.5 20.7 1.0 C2B B:HEM201 4.5 17.4 1.0 CG1 B:VAL59 4.7 13.9 1.0 NE2 B:HIS55 4.8 20.7 0.2 CE B:MET86 5.0 19.6 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.