Iron in PDB 1dcc: 2.2 Angstrom Structure of Oxyperoxidase: A Model For the Enzyme:Peroxide Complex

All present enzymatic activity of 2.2 Angstrom Structure of Oxyperoxidase: A Model For the Enzyme:Peroxide Complex:
1.11.1.5;

The structure of 2.2 Angstrom Structure of Oxyperoxidase: A Model For the Enzyme:Peroxide Complex, PDB code: 1dcc was solved by M.A.Miller, A.Shaw, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.722, 74.446, 45.170, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the 2.2 Angstrom Structure of Oxyperoxidase: A Model For the Enzyme:Peroxide Complex (pdb code 1dcc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the 2.2 Angstrom Structure of Oxyperoxidase: A Model For the Enzyme:Peroxide Complex, PDB code: 1dcc:

Iron binding site 1 out of 1 in the 2.2 Angstrom Structure of Oxyperoxidase: A Model For the Enzyme:Peroxide Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.2 Angstrom Structure of Oxyperoxidase: A Model For the Enzyme:Peroxide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe296 b:22.5 occ:1.00 FE A:HEM296 0.0 22.5 1.0 O1 A:OXY999 1.8 29.6 1.0 NA A:HEM296 1.9 12.6 1.0 NC A:HEM296 2.0 18.7 1.0 NB A:HEM296 2.0 19.7 1.0 ND A:HEM296 2.0 16.3 1.0 NE2 A:HIS175 2.1 23.5 1.0 O2 A:OXY999 2.8 35.1 1.0 C1A A:HEM296 2.9 13.0 1.0 C1C A:HEM296 3.0 20.3 1.0 C4B A:HEM296 3.0 15.3 1.0 CE1 A:HIS175 3.0 21.2 1.0 C4D A:HEM296 3.0 12.8 1.0 C4A A:HEM296 3.0 13.5 1.0 C1D A:HEM296 3.0 15.6 1.0 C4C A:HEM296 3.0 19.4 1.0 C1B A:HEM296 3.1 20.8 1.0 CD2 A:HIS175 3.2 24.1 1.0 CHC A:HEM296 3.3 17.0 1.0 CHA A:HEM296 3.4 10.0 1.0 CHD A:HEM296 3.4 18.0 1.0 CHB A:HEM296 3.6 17.3 1.0 NE1 A:TRP51 4.1 28.0 1.0 C2A A:HEM296 4.1 17.3 1.0 ND1 A:HIS175 4.2 17.4 1.0 C3A A:HEM296 4.2 15.0 1.0 C3D A:HEM296 4.2 16.2 1.0 C3B A:HEM296 4.2 18.7 1.0 C2C A:HEM296 4.2 19.5 1.0 C2D A:HEM296 4.2 15.2 1.0 C3C A:HEM296 4.2 18.9 1.0 CG A:HIS175 4.3 19.2 1.0 C2B A:HEM296 4.3 20.0 1.0 CD1 A:TRP51 4.7 25.6 1.0 O A:HOH596 4.8 37.0 1.0 O A:HOH648 4.9 42.7 1.0 CG A:ARG48 5.0 18.1 1.0

M.A.Miller, A.Shaw, J.Kraut. 2.2 A Structure of Oxy-Peroxidase As A Model For the Transient Enzyme: Peroxide Complex. Nat.Struct.Biol. V. 1 524 1994.
ISSN: ISSN 1072-8368
PubMed: 7664080
DOI: 10.1038/NSB0894-524