Iron in PDB 1bgp: Crystal Structure of Barley Grain Peroxidase 1

All present enzymatic activity of Crystal Structure of Barley Grain Peroxidase 1:
1.11.1.7;

The structure of Crystal Structure of Barley Grain Peroxidase 1, PDB code: 1bgp was solved by A.Henriksen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.920, 105.060, 40.950, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23

The structure of Crystal Structure of Barley Grain Peroxidase 1 also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Iron atom in the Crystal Structure of Barley Grain Peroxidase 1 (pdb code 1bgp). 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 Crystal Structure of Barley Grain Peroxidase 1, PDB code: 1bgp:

Iron binding site 1 out of 1 in the Crystal Structure of Barley Grain Peroxidase 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Barley Grain Peroxidase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:12.9 occ:1.00 FE A:HEM400 0.0 12.9 1.0 ND A:HEM400 1.9 7.4 1.0 NB A:HEM400 1.9 10.7 1.0 NA A:HEM400 2.0 11.4 1.0 NC A:HEM400 2.0 11.5 1.0 NE2 A:HIS179 2.1 12.4 1.0 C4D A:HEM400 3.0 10.8 1.0 C4B A:HEM400 3.0 12.7 1.0 C1A A:HEM400 3.0 12.8 1.0 C1D A:HEM400 3.0 8.2 1.0 C1B A:HEM400 3.0 12.3 1.0 C1C A:HEM400 3.0 7.9 1.0 C4A A:HEM400 3.0 12.5 1.0 C4C A:HEM400 3.1 8.7 1.0 CE1 A:HIS179 3.1 13.0 1.0 CD2 A:HIS179 3.1 9.0 1.0 CHC A:HEM400 3.4 9.0 1.0 CHA A:HEM400 3.4 9.0 1.0 CHB A:HEM400 3.4 11.7 1.0 CHD A:HEM400 3.4 11.6 1.0 CE2 A:PHE48 3.8 12.7 1.0 CD2 A:PHE48 4.2 13.3 1.0 C3D A:HEM400 4.2 11.2 1.0 ND1 A:HIS179 4.2 22.1 1.0 C2D A:HEM400 4.2 8.4 1.0 CG A:HIS179 4.2 13.6 1.0 C2B A:HEM400 4.2 10.2 1.0 C3B A:HEM400 4.3 12.5 1.0 C2C A:HEM400 4.3 7.9 1.0 C2A A:HEM400 4.3 16.2 1.0 C3A A:HEM400 4.3 14.9 1.0 C3C A:HEM400 4.3 10.4 1.0 CZ A:PHE48 4.5 13.3 1.0 CG A:ARG45 4.8 15.3 1.0

A.Henriksen, K.G.Welinder, M.Gajhede. Structure of Barley Grain Peroxidase Refined at 1.9-A Resolution. A Plant Peroxidase Reversibly Inactivated at Neutral pH. J.Biol.Chem. V. 273 2241 1998.
ISSN: ISSN 0021-9258
PubMed: 9442067
DOI: 10.1074/JBC.273.4.2241