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Iron in PDB 3gck: Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid

Enzymatic activity of Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid

All present enzymatic activity of Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid:
1.11.1.7;

Protein crystallography data

The structure of Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid, PDB code: 3gck was solved by A.K.Singh, N.Singh, M.Sinha, A.Bhushan, P.Kaur, A.Srinivasan, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.95 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.515, 80.113, 68.571, 90.00, 93.99, 90.00
R / Rfree (%) 19.9 / 22.4

Other elements in 3gck:

The structure of Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid also contains other interesting chemical elements:

Iodine (I) 8 atoms
Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid (pdb code 3gck). 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 Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid, PDB code: 3gck:

Iron binding site 1 out of 1 in 3gck

Go back to Iron Binding Sites List in 3gck
Iron binding site 1 out of 1 in the Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe605

b:22.5
occ:1.00
FE A:HEM605 0.0 22.5 1.0
ND A:HEM605 2.0 9.4 1.0
NA A:HEM605 2.0 8.2 1.0
NB A:HEM605 2.2 9.7 1.0
NC A:HEM605 2.2 12.2 1.0
NE2 A:HIS351 2.4 21.3 1.0
C4D A:HEM605 2.9 9.4 1.0
C1A A:HEM605 2.9 8.0 1.0
C4A A:HEM605 3.1 7.6 1.0
C1D A:HEM605 3.1 9.2 1.0
C1B A:HEM605 3.1 9.7 1.0
CHA A:HEM605 3.2 7.8 1.0
C4B A:HEM605 3.2 10.8 1.0
C1C A:HEM605 3.2 11.8 1.0
CD2 A:HIS351 3.2 21.4 1.0
C4C A:HEM605 3.3 10.7 1.0
O2 A:BHO800 3.3 35.6 1.0
CE1 A:HIS351 3.4 22.3 1.0
CHB A:HEM605 3.4 7.9 1.0
CHC A:HEM605 3.5 10.3 1.0
CHD A:HEM605 3.6 9.9 1.0
N A:BHO800 4.1 35.7 1.0
C3D A:HEM605 4.2 10.4 1.0
C2A A:HEM605 4.3 8.1 1.0
C2D A:HEM605 4.3 9.4 1.0
C3A A:HEM605 4.3 8.0 1.0
C2C A:HEM605 4.4 12.2 1.0
CG A:HIS351 4.4 22.3 1.0
C2B A:HEM605 4.4 11.3 1.0
C3C A:HEM605 4.4 11.4 1.0
ND1 A:HIS351 4.5 22.4 1.0
C3B A:HEM605 4.5 11.7 1.0
NE2 A:GLN105 4.5 17.9 1.0
CG A:GLN105 4.7 16.2 1.0
CD2 A:LEU433 5.0 18.9 1.0
CD A:GLN105 5.0 17.4 1.0
C A:BHO800 5.0 35.5 1.0

Reference:

A.K.Singh, N.Singh, M.Sinha, A.Bhushan, P.Kaur, A.Srinivasan, S.Sharma, T.P.Singh. Mode of Ligand Binding and Assignment of Subsites in Mammalian Peroxidases: Crystal Structure of Lactoperoxidase Complexes with Acetyl Salycylic Acid, Salicylhydroxamic Acid and Benzylhydroxamic Acid To Be Published.
Page generated: Sun Aug 4 10:42:00 2024

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