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Iron in PDB 3i6n: Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution

Enzymatic activity of Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution

All present enzymatic activity of Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution:
1.11.1.7;

Protein crystallography data

The structure of Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution, PDB code: 3i6n was solved by A.K.Singh, R.P.Kumar, N.Pandey, N.Singh, M.Sinha, A.Bhushan, 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) 75.81 / 2.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.490, 80.550, 77.780, 90.00, 102.66, 90.00
R / Rfree (%) 20.5 / 23.2

Other elements in 3i6n:

The structure of Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution also contains other interesting chemical elements:

Iodine (I) 7 atoms
Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution (pdb code 3i6n). 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 Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution, PDB code: 3i6n:

Iron binding site 1 out of 1 in 3i6n

Go back to Iron Binding Sites List in 3i6n
Iron binding site 1 out of 1 in the Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe605

b:32.4
occ:1.00
FE A:HEM605 0.0 32.4 1.0
ND A:HEM605 1.9 34.8 1.0
NA A:HEM605 2.0 33.1 1.0
NB A:HEM605 2.1 36.1 1.0
NC A:HEM605 2.1 35.8 1.0
NE2 A:HIS351 2.5 32.1 1.0
O A:HOH617 2.6 77.5 1.0
C4D A:HEM605 2.8 35.0 1.0
C1A A:HEM605 2.9 32.5 1.0
C1D A:HEM605 3.0 35.0 1.0
C4B A:HEM605 3.0 35.7 1.0
C1C A:HEM605 3.1 35.4 1.0
C4A A:HEM605 3.1 33.3 1.0
C1B A:HEM605 3.1 35.7 1.0
C4C A:HEM605 3.1 34.9 1.0
CHA A:HEM605 3.2 33.5 1.0
CD2 A:HIS351 3.3 32.5 1.0
CHC A:HEM605 3.3 35.2 1.0
CHB A:HEM605 3.5 34.2 1.0
CHD A:HEM605 3.5 34.8 1.0
CE1 A:HIS351 3.5 32.6 1.0
N1 A:ISZ607 4.0 35.1 1.0
C3D A:HEM605 4.1 35.7 1.0
C2D A:HEM605 4.1 35.1 1.0
C3B A:HEM605 4.2 36.3 1.0
C2A A:HEM605 4.3 32.2 1.0
NE2 A:GLN105 4.3 25.9 1.0
C2B A:HEM605 4.3 36.1 1.0
C3A A:HEM605 4.3 32.8 1.0
C2C A:HEM605 4.4 35.2 1.0
C3C A:HEM605 4.4 34.8 1.0
CG A:HIS351 4.5 32.4 1.0
C5 A:ISZ607 4.6 33.8 1.0
ND1 A:HIS351 4.6 32.5 1.0
NE2 A:HIS109 4.6 33.9 1.0
C4 A:ISZ607 4.7 34.4 1.0
CG A:GLN105 4.9 26.0 1.0

Reference:

A.K.Singh, R.P.Kumar, N.Pandey, N.Singh, M.Sinha, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh. Mode of Binding of the Tuberculosis Prodrug Isoniazid to Heme Peroxidases: Binding Studies and Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 A Resolution. J.Biol.Chem. V. 285 1569 2010.
ISSN: ISSN 0021-9258
PubMed: 19907057
DOI: 10.1074/JBC.M109.060327
Page generated: Sun Dec 13 15:08:26 2020

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