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Iron in PDB 3niu: Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution

Enzymatic activity of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution, PDB code: 3niu was solved by G.Vikram, R.P.Singh, 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) 25.00 / 2.94
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.199, 75.587, 83.808, 79.93, 77.86, 72.50
R / Rfree (%) 19.7 / 23.2

Other elements in 3niu:

The structure of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution (pdb code 3niu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution, PDB code: 3niu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3niu

Go back to Iron Binding Sites List in 3niu
Iron binding site 1 out of 2 in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A 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 Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1001

b:16.0
occ:1.00
FE A:HEM1001 0.0 16.0 1.0
NC A:HEM1001 2.1 16.0 1.0
NA A:HEM1001 2.1 16.1 1.0
ND A:HEM1001 2.1 16.0 1.0
NB A:HEM1001 2.1 15.7 1.0
NE2 A:HIS351 2.6 8.7 1.0
C1A A:HEM1001 3.0 16.0 1.0
C4D A:HEM1001 3.0 16.2 1.0
C1C A:HEM1001 3.1 15.9 1.0
C4C A:HEM1001 3.1 15.8 1.0
C4B A:HEM1001 3.1 15.6 1.0
C1D A:HEM1001 3.1 16.0 1.0
C4A A:HEM1001 3.1 16.0 1.0
C1B A:HEM1001 3.1 15.7 1.0
CHA A:HEM1001 3.4 16.1 1.0
CHC A:HEM1001 3.4 15.7 1.0
CHD A:HEM1001 3.4 16.0 1.0
O1 A:PEG5001 3.5 30.1 1.0
CHB A:HEM1001 3.5 16.0 1.0
CD2 A:HIS351 3.5 9.1 1.0
CE1 A:HIS351 3.6 8.9 1.0
NE2 A:GLN105 4.0 7.5 1.0
C2A A:HEM1001 4.3 16.2 1.0
C3D A:HEM1001 4.3 16.3 1.0
C2C A:HEM1001 4.3 15.9 1.0
C3C A:HEM1001 4.3 15.9 1.0
C2D A:HEM1001 4.3 16.2 1.0
C3A A:HEM1001 4.3 16.1 1.0
C3B A:HEM1001 4.3 15.7 1.0
C2B A:HEM1001 4.3 15.7 1.0
C1 A:PEG5001 4.4 30.5 1.0
CG A:GLN105 4.5 8.0 1.0
NE2 A:HIS109 4.6 7.4 1.0
CD A:GLN105 4.6 8.1 1.0
ND1 A:HIS351 4.7 8.9 1.0
CG A:HIS351 4.7 9.1 1.0

Iron binding site 2 out of 2 in 3niu

Go back to Iron Binding Sites List in 3niu
Iron binding site 2 out of 2 in the Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1021

b:14.5
occ:1.00
FE B:HEM1021 0.0 14.5 1.0
NC B:HEM1021 2.0 13.9 1.0
ND B:HEM1021 2.1 14.3 1.0
NB B:HEM1021 2.1 14.1 1.0
NA B:HEM1021 2.1 14.3 1.0
NE2 B:HIS351 2.6 8.9 1.0
C4D B:HEM1021 3.0 14.5 1.0
C1C B:HEM1021 3.1 13.6 1.0
C4C B:HEM1021 3.1 13.7 1.0
C4B B:HEM1021 3.1 13.8 1.0
C1A B:HEM1021 3.1 14.3 1.0
C1D B:HEM1021 3.1 14.5 1.0
O1 B:PEG5001 3.1 31.2 1.0
C1B B:HEM1021 3.1 13.9 1.0
C4A B:HEM1021 3.1 14.2 1.0
CD2 B:HIS351 3.4 8.8 1.0
CHA B:HEM1021 3.4 14.5 1.0
CHC B:HEM1021 3.4 13.6 1.0
CHD B:HEM1021 3.4 14.2 1.0
CHB B:HEM1021 3.5 14.1 1.0
CE1 B:HIS351 3.7 9.0 1.0
C1 B:PEG5001 4.0 31.7 1.0
NE2 B:GLN105 4.2 8.5 1.0
C2C B:HEM1021 4.3 13.2 1.0
C3D B:HEM1021 4.3 14.7 1.0
C3C B:HEM1021 4.3 13.0 1.0
C2D B:HEM1021 4.3 14.6 1.0
C3B B:HEM1021 4.3 13.8 1.0
C2A B:HEM1021 4.3 14.4 1.0
C2B B:HEM1021 4.3 13.9 1.0
C3A B:HEM1021 4.3 14.2 1.0
CG B:HIS351 4.6 8.9 1.0
CG B:GLN105 4.7 8.5 1.0
CD B:GLN105 4.7 8.5 1.0
ND1 B:HIS351 4.7 8.7 1.0
C2 B:PEG5001 4.9 31.1 1.0

Reference:

G.Vikram, R.P.Singh, A.K.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Complex of Dimeric Goat Lactoperoxidase with Diethylene Glycol at 2.9 A Resolution To Be Published.
Page generated: Sun Aug 4 16:27:39 2024

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