Iron in PDB 2e9e: Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution:
1.11.1.7;

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution, PDB code: 2e9e was solved by A.K.Singh, R.Prem Kumar, N.Singh, S.Sharma, S.B.Singh, A.Bhushan, P.Kaur, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.25
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.522, 72.537, 83.983, 85.30, 84.06, 75.68
R / Rfree (%)	16.9 / 20.3

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution (pdb code 2e9e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution, PDB code: 2e9e:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution


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 the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:8.3 occ:1.00 FE A:HEM801 0.0 8.3 1.0 ND A:HEM801 2.0 15.5 1.0 NA A:HEM801 2.1 18.9 1.0 NC A:HEM801 2.1 13.5 1.0 NB A:HEM801 2.2 13.0 1.0 NE2 A:HIS351 2.3 2.0 1.0 C A:CYN901 2.7 12.9 1.0 N A:CYN901 2.9 13.6 1.0 C4D A:HEM801 2.9 17.0 1.0 C1A A:HEM801 3.0 18.8 1.0 C1D A:HEM801 3.0 15.4 1.0 C4C A:HEM801 3.1 14.4 1.0 C1C A:HEM801 3.2 13.0 1.0 C4A A:HEM801 3.2 17.9 1.0 C4B A:HEM801 3.2 12.6 1.0 CE1 A:HIS351 3.2 2.0 1.0 CD2 A:HIS351 3.2 2.0 1.0 C1B A:HEM801 3.2 13.8 1.0 CHA A:HEM801 3.3 17.7 1.0 CHD A:HEM801 3.4 15.0 1.0 CHC A:HEM801 3.5 12.6 1.0 CHB A:HEM801 3.6 15.7 1.0 C3D A:HEM801 4.2 16.8 1.0 C2D A:HEM801 4.2 15.8 1.0 C2A A:HEM801 4.3 18.7 1.0 ND1 A:HIS351 4.3 2.0 1.0 C3A A:HEM801 4.3 17.8 1.0 C3C A:HEM801 4.4 14.5 1.0 CG A:HIS351 4.4 2.0 1.0 C2C A:HEM801 4.4 14.2 1.0 C3B A:HEM801 4.4 13.4 1.0 C2B A:HEM801 4.4 13.4 1.0 NE2 A:GLN105 4.6 5.8 1.0 NE2 A:HIS109 5.0 8.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe821 b:4.0 occ:1.00 FE B:HEM821 0.0 4.0 1.0 NA B:HEM821 2.0 13.8 1.0 ND B:HEM821 2.1 10.8 1.0 NB B:HEM821 2.1 12.2 1.0 NC B:HEM821 2.2 10.9 1.0 NE2 B:HIS351 2.3 2.0 1.0 O B:OSM921 2.9 39.9 1.0 C1A B:HEM821 3.0 13.7 1.0 C4D B:HEM821 3.0 11.5 1.0 C4A B:HEM821 3.1 13.1 1.0 C1B B:HEM821 3.1 12.5 1.0 C4B B:HEM821 3.1 11.6 1.0 C1D B:HEM821 3.1 9.9 1.0 CD2 B:HIS351 3.2 2.0 1.0 C1C B:HEM821 3.2 10.4 1.0 C4C B:HEM821 3.2 10.6 1.0 CHA B:HEM821 3.3 12.3 1.0 CE1 B:HIS351 3.3 2.0 1.0 CHB B:HEM821 3.4 12.1 1.0 S B:OSM921 3.5 40.4 1.0 CHC B:HEM821 3.5 10.2 1.0 CHD B:HEM821 3.6 9.3 1.0 C2A B:HEM821 4.2 13.0 1.0 C3A B:HEM821 4.2 13.3 1.0 C3D B:HEM821 4.3 10.2 1.0 C2D B:HEM821 4.3 9.7 1.0 C2B B:HEM821 4.3 12.8 1.0 C3B B:HEM821 4.4 12.7 1.0 CG B:HIS351 4.4 2.0 1.0 ND1 B:HIS351 4.4 2.1 1.0 C2C B:HEM821 4.5 10.4 1.0 C3C B:HEM821 4.5 10.7 1.0 NE2 B:GLN105 4.5 3.8 1.0 C B:OSM921 4.7 39.2 1.0

A.K.Singh, R.Prem Kumar, N.Singh, S.Sharma, S.B.Singh, A.Bhushan, P.Kaur, T.P.Singh. Crystal Structure of the Complex of Goat Lactoperoxidase with Nitrate at 3.25 A Resolution To Be Published.