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Iron in PDB 3krq: Crystal Structure of the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A Resolution

Enzymatic activity of Crystal Structure of the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A Resolution, PDB code: 3krq was solved by A.K.Singh, N.Singh, M.Sinha, G.S.Kushwaha, 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) 19.91 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.487, 81.105, 73.928, 90.00, 100.82, 90.00
R / Rfree (%) 22.6 / 24.9

Other elements in 3krq:

The structure of Crystal Structure of the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A 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 Crystal Structure of the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A Resolution (pdb code 3krq). 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 the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A Resolution, PDB code: 3krq:

Iron binding site 1 out of 1 in 3krq

Go back to Iron Binding Sites List in 3krq
Iron binding site 1 out of 1 in the Crystal Structure of the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A 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 the Complex of Lactoperoxidase with A Potent Inhibitor Amino-Triazole at 2.2A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe655

b:37.2
occ:1.00
 FE A:HEM655 0.0 37.2 1.0
NC A:HEM655 1.9 29.3 1.0
NA A:HEM655 1.9 33.7 1.0
NB A:HEM655 2.1 30.9 1.0
ND A:HEM655 2.1 30.3 1.0
NE2 A:HIS351 2.7 35.2 1.0
C4C A:HEM655 2.9 29.4 1.0
C4A A:HEM655 3.0 31.7 1.0
C1D A:HEM655 3.0 32.4 1.0
C1C A:HEM655 3.0 28.1 1.0
C1A A:HEM655 3.0 34.1 1.0
C1B A:HEM655 3.1 24.4 1.0
C4B A:HEM655 3.1 26.3 1.0
N3A A:3TR607 3.1 36.0 1.0
C4D A:HEM655 3.2 27.3 1.0
CHD A:HEM655 3.2 32.6 1.0
CD2 A:HIS351 3.3 34.7 1.0
CHB A:HEM655 3.3 32.8 1.0
CHC A:HEM655 3.4 24.6 1.0
CHA A:HEM655 3.5 31.4 1.0
CE1 A:HIS351 3.8 34.9 1.0
C3 A:3TR607 4.1 34.0 1.0
C3C A:HEM655 4.1 25.8 1.0
C2C A:HEM655 4.2 29.1 1.0
C3A A:HEM655 4.2 31.4 1.0
C2A A:HEM655 4.2 36.4 1.0
C2D A:HEM655 4.3 32.0 1.0
C2B A:HEM655 4.3 29.8 1.0
C3B A:HEM655 4.4 29.3 1.0
C3D A:HEM655 4.4 26.9 1.0
OE1 A:GLN105 4.4 30.5 1.0
N2 A:3TR607 4.4 31.4 1.0
CG A:HIS351 4.5 35.6 1.0
ND1 A:HIS351 4.7 34.8 1.0
CD2 A:LEU433 4.8 35.2 1.0
CG A:GLN105 4.9 31.5 1.0

Reference:

A.K.Singh, N.Singh, A.Tiwari, M.Sinha, G.S.Kushwaha, P.Kaur, A.Srinivasan, S.Sharma, T.P.Singh. First Structural Evidence For the Mode of Diffusion of Aromatic Ligands and Ligand-Induced Closure of the Hydrophobic Channel in Heme Peroxidases J.Biol.Inorg.Chem. V. 15 1099 2010.
ISSN: ISSN 0949-8257
PubMed: 20461536
DOI: 10.1007/S00775-010-0669-3
Page generated: Tue Aug 5 03:16:47 2025

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