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Iron in PDB 3bxi: Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution

Enzymatic activity of Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution

All present enzymatic activity of Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution, PDB code: 3bxi was solved by A.K.Singh, N.Singh, S.Sharma, K.Shin, M.Takase, P.Kaur, A.Srinivasan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.46 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.630, 80.667, 77.680, 90.00, 102.60, 90.00
R / Rfree (%) 16.8 / 21.8

Other elements in 3bxi:

The structure of Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution (pdb code 3bxi). 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 Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution, PDB code: 3bxi:

Iron binding site 1 out of 1 in 3bxi

Go back to Iron Binding Sites List in 3bxi
Iron binding site 1 out of 1 in the Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Complex of Bovine Lactoperoxidase with Its Catalyzed Product Hypothiocyanate Ion at 2.3A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe613

b:13.4
occ:1.00
 FE A:HEM613 0.0 13.4 1.0
ND A:HEM613 1.9 13.0 1.0
NA A:HEM613 2.0 12.3 1.0
NC A:HEM613 2.0 10.8 1.0
NB A:HEM613 2.1 12.5 1.0
NE2 A:HIS351 2.1 11.7 1.0
O A:OSM614 2.7 40.4 1.0
C4D A:HEM613 2.9 10.4 1.0
C1D A:HEM613 2.9 11.1 1.0
CD2 A:HIS351 3.0 11.8 1.0
C1A A:HEM613 3.0 11.8 1.0
C4A A:HEM613 3.0 11.2 1.0
C1B A:HEM613 3.0 11.2 1.0
C4C A:HEM613 3.1 11.1 1.0
C1C A:HEM613 3.1 10.0 1.0
C4B A:HEM613 3.1 11.8 1.0
CE1 A:HIS351 3.2 13.0 1.0
CHA A:HEM613 3.3 11.6 1.0
CHB A:HEM613 3.3 11.2 1.0
CHD A:HEM613 3.4 10.0 1.0
CHC A:HEM613 3.4 11.0 1.0
S A:OSM614 3.5 48.7 1.0
C2D A:HEM613 4.2 13.1 1.0
CG A:HIS351 4.2 12.7 1.0
C3D A:HEM613 4.2 10.3 1.0
ND1 A:HIS351 4.3 12.0 1.0
C2A A:HEM613 4.3 11.6 1.0
C3A A:HEM613 4.3 12.6 1.0
C2B A:HEM613 4.3 13.7 1.0
C3B A:HEM613 4.3 14.0 1.0
C3C A:HEM613 4.3 9.0 1.0
C2C A:HEM613 4.3 11.2 1.0
NE2 A:GLN105 4.6 11.6 1.0
C A:OSM614 4.7 41.8 1.0
CD2 A:LEU433 4.8 15.2 1.0

Reference:

A.K.Singh, N.Singh, S.Sharma, K.Shin, M.Takase, P.Kaur, A.Srinivasan, T.P.Singh. Inhibition of Lactoperoxidase By Its Own Catalytic Product: Crystal Structure of the Hypothiocyanate-Inhibited Bovine Lactoperoxidase at 2.3-A Resolution. Biophys.J. V. 96 646 2009.
ISSN: ISSN 0006-3495
PubMed: 19167310
DOI: 10.1016/J.BPJ.2008.09.019
Page generated: Tue Aug 5 00:04:50 2025

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