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Calcium 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
Iron (Fe) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium 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:

Calcium binding site 1 out of 1 in 3i6n

Go back to Calcium Binding Sites List in 3i6n
Calcium 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 Calcium with other atoms in the Ca 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:Ca615

b:24.2
occ:1.00
 O A:PHE186 2.4 30.3 1.0
O A:ASP110 2.5 31.5 1.0
OD1 A:ASP110 2.6 34.6 1.0
OG1 A:THR184 2.6 28.3 1.0
OD1 A:ASP188 2.6 26.9 1.0
O A:THR184 2.6 28.2 1.0
OG A:SER190 2.7 30.4 1.0
CB A:SER190 3.4 29.6 1.0
C A:THR184 3.5 28.2 1.0
CG A:ASP188 3.5 26.6 1.0
C A:ASP110 3.5 32.5 1.0
C A:PHE186 3.6 29.8 1.0
CB A:THR184 3.7 28.0 1.0
CG A:ASP110 3.7 34.3 1.0
N A:ASP188 3.8 28.9 1.0
OD2 A:ASP188 3.9 25.8 1.0
CA A:THR184 3.9 28.1 1.0
N A:THR184 4.2 27.9 1.0
N A:SER190 4.2 29.0 1.0
N A:PHE186 4.2 28.5 1.0
CA A:ASP110 4.4 33.0 1.0
CA A:SER190 4.4 29.1 1.0
C A:SER185 4.5 28.4 1.0
N A:LEU111 4.5 32.0 1.0
N A:SER185 4.5 28.4 1.0
CA A:PHE186 4.5 28.7 1.0
CB A:ASP110 4.5 33.6 1.0
N A:LEU187 4.5 30.3 1.0
OD2 A:ASP110 4.6 35.0 1.0
CB A:ASP188 4.6 27.1 1.0
CA A:LEU187 4.6 30.1 1.0
CA A:LEU111 4.6 31.5 1.0
CA A:ASP188 4.6 27.8 1.0
C A:LEU187 4.7 29.6 1.0
CD2 A:LEU111 4.8 28.7 1.0
O A:SER185 4.9 28.7 1.0
N A:ALA189 4.9 27.8 1.0
O A:HOH637 4.9 50.4 1.0
CA A:SER185 4.9 28.3 1.0
C A:ASP188 4.9 27.8 1.0
CG2 A:THR184 5.0 27.6 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: Sat Dec 12 04:15:06 2020

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