Iron in PDB 1aa4: Specificity of Ligand Binding in A Buried Polar Cavity of Cytochrome C Peroxidase

All present enzymatic activity of Specificity of Ligand Binding in A Buried Polar Cavity of Cytochrome C Peroxidase:
1.11.1.5;

The structure of Specificity of Ligand Binding in A Buried Polar Cavity of Cytochrome C Peroxidase, PDB code: 1aa4 was solved by R.A.Musah, M.M.Fitzgerald, D.E.Mcree, D.B.Goodin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.000, 77.300, 51.800, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / n/a

The binding sites of Iron atom in the Specificity of Ligand Binding in A Buried Polar Cavity of Cytochrome C Peroxidase (pdb code 1aa4). 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 Specificity of Ligand Binding in A Buried Polar Cavity of Cytochrome C Peroxidase, PDB code: 1aa4:

Iron binding site 1 out of 1 in the Specificity of Ligand Binding in A Buried Polar Cavity of Cytochrome C Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Specificity of Ligand Binding in A Buried Polar Cavity of Cytochrome C Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe295 b:10.8 occ:1.00 FE A:HEM295 0.0 10.8 1.0 NE2 A:HIS175 2.0 7.4 1.0 O A:HOH313 2.0 18.6 1.0 NA A:HEM295 2.1 10.1 1.0 NB A:HEM295 2.1 8.8 1.0 NC A:HEM295 2.1 8.9 1.0 ND A:HEM295 2.1 8.0 1.0 CE1 A:HIS175 2.8 8.8 1.0 C4A A:HEM295 3.0 11.9 1.0 CD2 A:HIS175 3.0 12.6 1.0 C1B A:HEM295 3.0 8.8 1.0 C4C A:HEM295 3.0 10.1 1.0 C1A A:HEM295 3.1 11.3 1.0 C1D A:HEM295 3.1 9.0 1.0 C4D A:HEM295 3.1 7.2 1.0 C1C A:HEM295 3.1 8.9 1.0 C4B A:HEM295 3.1 9.0 1.0 CHB A:HEM295 3.4 11.2 1.0 CHD A:HEM295 3.4 3.3 1.0 CHA A:HEM295 3.4 9.4 1.0 CHC A:HEM295 3.4 6.1 1.0 HE1 A:TRP51 3.4 0.0 1.0 ND1 A:HIS175 3.9 12.6 1.0 NE1 A:TRP51 4.1 12.6 1.0 CG A:HIS175 4.1 5.8 1.0 C3A A:HEM295 4.2 10.1 1.0 C2A A:HEM295 4.2 10.2 1.0 C3C A:HEM295 4.3 9.5 1.0 C2D A:HEM295 4.3 7.7 1.0 C2B A:HEM295 4.3 11.3 1.0 C3D A:HEM295 4.3 7.0 1.0 O A:HOH344 4.3 22.1 1.0 C2C A:HEM295 4.3 10.4 1.0 C3B A:HEM295 4.3 12.4 1.0 O A:HOH300 4.4 24.4 1.0 HE A:ARG48 4.5 0.0 1.0 CD1 A:TRP51 4.5 8.7 1.0 HD1 A:HIS175 4.8 0.0 1.0

M.M.Fitzgerald, R.A.Musah, D.E.Mcree, D.B.Goodin. A Ligand-Gated, Hinged Loop Rearrangement Opens A Channel to A Buried Artificial Protein Cavity. Nat.Struct.Biol. V. 3 626 1996.
ISSN: ISSN 1072-8368
PubMed: 8673607
DOI: 10.1038/NSB0796-626