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Iron in PDB 3py4: Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution

Enzymatic activity of Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution

All present enzymatic activity of Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution, PDB code: 3py4 was solved by N.Pandey, R.P.Sing, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.90 / 2.42
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.810, 80.673, 74.442, 90.00, 103.07, 90.00
R / Rfree (%) 22.5 / 25.8

Other elements in 3py4:

The structure of Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution also contains other interesting chemical elements:

Iodine (I) 15 atoms
Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution (pdb code 3py4). 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 in Complex with Paracetamol at 2.4A Resolution, PDB code: 3py4:

Iron binding site 1 out of 1 in 3py4

Go back to Iron Binding Sites List in 3py4
Iron binding site 1 out of 1 in the Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A 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 Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe605

b:38.8
occ:1.00
 FE A:HEM605 0.0 38.8 1.0
NA A:HEM605 1.9 37.4 1.0
NB A:HEM605 2.0 34.2 1.0
ND A:HEM605 2.0 33.7 1.0
NC A:HEM605 2.1 34.6 1.0
NE2 A:HIS351 2.3 37.6 1.0
C4D A:HEM605 2.9 32.6 1.0
C1A A:HEM605 2.9 34.7 1.0
C4B A:HEM605 2.9 32.4 1.0
C1C A:HEM605 3.0 34.0 1.0
C1B A:HEM605 3.0 31.6 1.0
C4A A:HEM605 3.0 36.0 1.0
C1D A:HEM605 3.1 31.9 1.0
CD2 A:HIS351 3.1 38.2 1.0
C4C A:HEM605 3.2 33.9 1.0
CHA A:HEM605 3.2 34.0 1.0
CHC A:HEM605 3.3 30.7 1.0
O4 A:TYL598 3.3 37.0 1.0
CHB A:HEM605 3.4 33.9 1.0
CE1 A:HIS351 3.4 34.9 1.0
CHD A:HEM605 3.5 32.9 1.0
C3B A:HEM605 4.2 31.3 1.0
C2B A:HEM605 4.2 31.5 1.0
C3D A:HEM605 4.2 31.5 1.0
C2A A:HEM605 4.2 37.3 1.0
C3A A:HEM605 4.2 36.3 1.0
C2D A:HEM605 4.3 30.3 1.0
NE2 A:GLN105 4.3 27.3 1.0
C2C A:HEM605 4.3 35.5 1.0
C4 A:TYL598 4.3 22.5 1.0
CG A:HIS351 4.3 38.2 1.0
C3C A:HEM605 4.4 35.4 1.0
ND1 A:HIS351 4.5 36.1 1.0
CD2 A:LEU433 4.7 36.4 1.0
C3 A:TYL598 4.9 35.3 1.0
NE2 A:HIS109 5.0 38.5 1.0

Reference:

N.Pandey, R.P.Sing, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of Bovine Lactoperoxidase in Complex with Paracetamol at 2.4A Resolution To Be Published.
Page generated: Sun Aug 4 18:29:29 2024

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