Iron in PDB 2eha: Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution

All present enzymatic activity of Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution:
1.11.1.7;

The structure of Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution, PDB code: 2eha was solved by A.K.Singh, A.S.Ethayathulla, N.Singh, S.Sharma, 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 / 3.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.991, 72.272, 83.652, 85.45, 84.04, 75.89
R / Rfree (%)	19.6 / 23.7

The structure of Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution (pdb code 2eha). 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 Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution, PDB code: 2eha:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 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 Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3003 b:18.0 occ:1.00 FE A:HEM3003 0.0 18.0 1.0 NE2 A:HIS351 2.1 12.8 1.0 NA A:HEM3003 2.1 13.2 1.0 NB A:HEM3003 2.1 12.2 1.0 ND A:HEM3003 2.1 12.9 1.0 NC A:HEM3003 2.2 11.8 1.0 CD2 A:HIS351 2.8 10.6 1.0 C1A A:HEM3003 3.1 12.7 1.0 C4A A:HEM3003 3.1 14.7 1.0 C1B A:HEM3003 3.1 11.1 1.0 C4D A:HEM3003 3.1 15.4 1.0 C4B A:HEM3003 3.1 9.2 1.0 C1D A:HEM3003 3.1 9.1 1.0 C4C A:HEM3003 3.2 11.4 1.0 C1C A:HEM3003 3.2 9.1 1.0 CE1 A:HIS351 3.2 15.0 1.0 CHA A:HEM3003 3.4 12.9 1.0 CHB A:HEM3003 3.4 13.2 1.0 CHD A:HEM3003 3.5 9.1 1.0 CHC A:HEM3003 3.5 9.1 1.0 CG A:HIS351 4.0 11.0 1.0 ND1 A:HIS351 4.2 11.7 1.0 C3A A:HEM3003 4.3 14.0 1.0 C2A A:HEM3003 4.3 15.4 1.0 C2B A:HEM3003 4.3 10.7 1.0 C3B A:HEM3003 4.3 12.0 1.0 C3D A:HEM3003 4.3 15.5 1.0 C2D A:HEM3003 4.4 12.8 1.0 C3C A:HEM3003 4.4 9.2 1.0 C2C A:HEM3003 4.4 9.1 1.0 NE2 A:GLN105 4.6 14.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 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 Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1003 b:12.8 occ:1.00 FE B:HEM1003 0.0 12.8 1.0 NA B:HEM1003 1.9 16.9 1.0 ND B:HEM1003 2.0 11.4 1.0 NB B:HEM1003 2.1 11.8 1.0 NE2 B:HIS351 2.2 14.8 1.0 NC B:HEM1003 2.3 9.1 1.0 CD2 B:HIS351 2.9 13.1 1.0 O B:OSM3021 2.9 49.1 1.0 C1A B:HEM1003 3.0 14.1 1.0 C4A B:HEM1003 3.0 13.8 1.0 C4D B:HEM1003 3.0 13.9 1.0 C1B B:HEM1003 3.1 10.7 1.0 C1D B:HEM1003 3.1 9.1 1.0 C4B B:HEM1003 3.2 10.8 1.0 C1C B:HEM1003 3.3 9.1 1.0 C4C B:HEM1003 3.3 9.5 1.0 CHA B:HEM1003 3.3 14.6 1.0 CE1 B:HIS351 3.3 17.3 1.0 CHB B:HEM1003 3.4 12.3 1.0 S B:OSM3021 3.5 50.7 1.0 CHD B:HEM1003 3.5 9.2 1.0 CHC B:HEM1003 3.6 10.7 1.0 NE2 B:GLN105 4.0 11.6 1.0 CG B:HIS351 4.1 13.5 1.0 C2A B:HEM1003 4.2 16.6 1.0 C3A B:HEM1003 4.2 15.7 1.0 C3D B:HEM1003 4.3 13.7 1.0 ND1 B:HIS351 4.3 16.1 1.0 C2B B:HEM1003 4.3 10.1 1.0 C2D B:HEM1003 4.4 10.0 1.0 C3B B:HEM1003 4.4 9.5 1.0 C2C B:HEM1003 4.5 9.1 1.0 C3C B:HEM1003 4.5 9.1 1.0 C B:OSM3021 4.8 46.5 1.0 CD2 B:LEU433 5.0 9.1 1.0

A.K.Singh, A.S.Ethayathulla, N.Singh, S.Sharma, A.Bhushan, P.Kaur, T.P.Singh. Crystal Structure of Goat Lactoperoxidase Complexed with Formate Anion at 3.3 A Resolution To Be Published.