Iron in PDB 3gc1: Crystal Structure of Bovine Lactoperoxidase

All present enzymatic activity of Crystal Structure of Bovine Lactoperoxidase:
1.11.1.7;

The structure of Crystal Structure of Bovine Lactoperoxidase, PDB code: 3gc1 was solved by A.K.Singh, N.Singh, M.Sinha, P.Kaur, A.Srinivasan, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.97 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.650, 80.710, 75.680, 90.00, 101.75, 90.00
R / Rfree (%)	24.7 / 26.8

The structure of Crystal Structure of Bovine Lactoperoxidase also contains other interesting chemical elements:

Iodine	(I)	7 atoms
Calcium	(Ca)	1 atom

The binding sites of Iron atom in the Crystal Structure of Bovine Lactoperoxidase (pdb code 3gc1). 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 Bovine Lactoperoxidase, PDB code: 3gc1:

Iron binding site 1 out of 1 in the Crystal Structure of Bovine Lactoperoxidase


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 Bovine Lactoperoxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:32.8 occ:1.00 FE A:HEM605 0.0 32.8 1.0 NB A:HEM605 1.9 26.4 1.0 NA A:HEM605 1.9 28.9 1.0 ND A:HEM605 2.1 30.3 1.0 NE2 A:HIS351 2.1 26.2 1.0 NC A:HEM605 2.5 26.3 1.0 O A:HOH616 2.9 48.1 1.0 C4A A:HEM605 2.9 27.8 1.0 C1B A:HEM605 2.9 25.2 1.0 C1A A:HEM605 2.9 27.4 1.0 CD2 A:HIS351 2.9 29.1 1.0 C4D A:HEM605 2.9 27.7 1.0 C4B A:HEM605 3.0 23.8 1.0 CHB A:HEM605 3.2 29.2 1.0 CE1 A:HIS351 3.2 27.1 1.0 C1D A:HEM605 3.3 28.2 1.0 CHA A:HEM605 3.3 26.2 1.0 C1C A:HEM605 3.3 24.0 1.0 CHC A:HEM605 3.5 22.3 1.0 C4C A:HEM605 3.6 24.4 1.0 CHD A:HEM605 3.9 27.4 1.0 C3A A:HEM605 4.1 28.8 1.0 CG A:HIS351 4.1 30.4 1.0 C2A A:HEM605 4.1 28.4 1.0 C2B A:HEM605 4.2 25.2 1.0 C3B A:HEM605 4.2 23.9 1.0 ND1 A:HIS351 4.2 28.4 1.0 C3D A:HEM605 4.3 28.9 1.0 CD2 A:LEU433 4.3 30.7 1.0 C2D A:HEM605 4.4 28.8 1.0 NE2 A:GLN105 4.5 18.9 1.0 C2C A:HEM605 4.6 26.4 1.0 C3C A:HEM605 4.7 26.4 1.0 O A:HOH624 4.8 2.0 1.0

A.K.Singh, R.P.Kumar, N.Pandey, N.Singh, M.Sinha, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh. Mode of Binding of the Tuberculosis Prodrug Isoniazid to Heme Peroxidases: Binding Studies and Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 A Resolution. J.Biol.Chem. V. 285 1569 2010.
ISSN: ISSN 0021-9258
PubMed: 19907057
DOI: 10.1074/JBC.M109.060327