Iron in PDB 2efb: Crystal Structure of the Complex of Goat Lactoperoxidase with Phosphate at 2.94 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Goat Lactoperoxidase with Phosphate at 2.94 A Resolution:
1.11.1.7;

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Phosphate at 2.94 A Resolution, PDB code: 2efb was solved by A.K.Singh, G.Hariprasad, R.Prem Kumar, N.Singh, A.Bhushan, 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 / 2.94
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	59.199, 75.587, 83.808, 79.93, 77.86, 72.50
R / Rfree (%)	18 / 21.9

The structure of Crystal Structure of the Complex of Goat Lactoperoxidase with Phosphate at 2.94 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 Phosphate at 2.94 A Resolution (pdb code 2efb). 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 Phosphate at 2.94 A Resolution, PDB code: 2efb:
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 Phosphate at 2.94 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 Phosphate at 2.94 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:4.8 occ:1.00 FE A:HEM1001 0.0 4.8 1.0 NC A:HEM1001 2.0 2.9 1.0 ND A:HEM1001 2.0 2.8 1.0 NA A:HEM1001 2.2 2.7 1.0 NB A:HEM1001 2.2 2.6 1.0 NE2 A:HIS351 2.2 6.1 1.0 C A:CYN2011 2.8 17.9 1.0 C4C A:HEM1001 2.9 3.0 1.0 N A:CYN2011 2.9 18.3 1.0 C1D A:HEM1001 2.9 3.4 1.0 CD2 A:HIS351 3.0 5.2 1.0 C1C A:HEM1001 3.0 2.5 1.0 C4D A:HEM1001 3.0 3.4 1.0 C1A A:HEM1001 3.1 2.6 1.0 C4B A:HEM1001 3.1 2.4 1.0 C4A A:HEM1001 3.2 3.5 1.0 C1B A:HEM1001 3.3 2.3 1.0 CHD A:HEM1001 3.3 4.1 1.0 CE1 A:HIS351 3.3 6.0 1.0 CHC A:HEM1001 3.4 2.2 1.0 CHA A:HEM1001 3.4 2.8 1.0 CHB A:HEM1001 3.6 4.0 1.0 C3C A:HEM1001 4.2 2.0 1.0 C2D A:HEM1001 4.2 2.6 1.0 C2C A:HEM1001 4.2 2.0 1.0 C3D A:HEM1001 4.2 3.9 1.0 CG A:HIS351 4.2 5.3 1.0 NE2 A:GLN105 4.3 2.0 1.0 ND1 A:HIS351 4.3 5.2 1.0 C3B A:HEM1001 4.4 2.3 1.0 C2A A:HEM1001 4.4 2.8 1.0 C3A A:HEM1001 4.4 3.0 1.0 C2B A:HEM1001 4.5 2.0 1.0 N A:SCN2012 4.9 22.8 1.0 CD2 A:LEU433 5.0 2.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Complex of Goat Lactoperoxidase with Phosphate at 2.94 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 Phosphate at 2.94 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1021 b:5.0 occ:1.00 FE B:HEM1021 0.0 5.0 1.0 ND B:HEM1021 2.0 3.8 1.0 NA B:HEM1021 2.0 4.3 1.0 NC B:HEM1021 2.1 4.0 1.0 NE2 B:HIS351 2.1 4.0 1.0 NB B:HEM1021 2.2 3.0 1.0 O B:OSM2021 2.7 26.4 1.0 C4D B:HEM1021 2.9 4.8 1.0 C1A B:HEM1021 3.0 3.3 1.0 C1D B:HEM1021 3.0 3.0 1.0 C4C B:HEM1021 3.1 3.0 1.0 C4A B:HEM1021 3.1 4.3 1.0 CE1 B:HIS351 3.1 5.9 1.0 CD2 B:HIS351 3.1 5.7 1.0 C1C B:HEM1021 3.2 3.2 1.0 C4B B:HEM1021 3.2 2.0 1.0 C1B B:HEM1021 3.2 3.1 1.0 CHA B:HEM1021 3.3 3.0 1.0 CHD B:HEM1021 3.4 3.3 1.0 CHB B:HEM1021 3.5 3.4 1.0 CHC B:HEM1021 3.5 2.0 1.0 S B:OSM2021 4.0 27.0 1.0 C3D B:HEM1021 4.2 4.7 1.0 C2D B:HEM1021 4.2 3.4 1.0 C2A B:HEM1021 4.2 3.9 1.0 ND1 B:HIS351 4.2 6.2 1.0 CG B:HIS351 4.3 5.7 1.0 NE2 B:GLN105 4.3 2.0 1.0 C3A B:HEM1021 4.3 3.8 1.0 C3C B:HEM1021 4.3 3.7 1.0 C2C B:HEM1021 4.4 3.1 1.0 C2B B:HEM1021 4.4 3.3 1.0 C3B B:HEM1021 4.4 2.6 1.0 NE2 B:HIS109 4.8 4.8 1.0 CG B:GLN105 4.9 2.0 1.0

A.K.Singh, G.Hariprasad, R.Prem Kumar, N.Singh, A.Bhushan, S.Sharma, P.Kaur, T.P.Singh. Crystal Structure of the Complex of Goat Lactoperoxidase with Phosphate at 2.94 A Resolution To Be Published.