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Fluorine in PDB 2z5z: Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution

Enzymatic activity of Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution, PDB code: 2z5z was solved by I.A.Sheikh, R.Jain, N.Singh, S.Sharma, A.Bhushan, P.Kaur, A.Srinivasan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.81 / 3.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.127, 80.739, 77.699, 90.00, 102.94, 90.00
R / Rfree (%) 22.1 / 23.5

Other elements in 2z5z:

The structure of Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution also contains other interesting chemical elements:

Iodine (I) 9 atoms
Iron (Fe) 1 atom
Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution (pdb code 2z5z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution, PDB code: 2z5z:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2z5z

Go back to Fluorine Binding Sites List in 2z5z
Fluorine binding site 1 out of 3 in the Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F616

b:26.0
occ:0.50
OG A:SER359 3.0 46.9 1.0
NZ A:LYS402 3.1 16.2 1.0
CG A:PRO367 3.9 24.6 1.0
CE A:LYS402 4.0 15.9 1.0
OE2 A:GLU373 4.0 28.2 1.0
CB A:SER359 4.0 46.2 1.0
CD2 A:LEU361 4.3 4.0 1.0
CB A:PRO367 4.5 24.5 1.0
CB A:GLU373 4.6 27.0 1.0
CD A:PRO367 4.6 24.6 1.0
CA A:PRO367 4.7 29.3 1.0
CB A:ALA372 5.0 2.0 1.0

Fluorine binding site 2 out of 3 in 2z5z

Go back to Fluorine Binding Sites List in 2z5z
Fluorine binding site 2 out of 3 in the Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F617

b:26.0
occ:0.50
NE2 A:HIS377 3.4 20.1 1.0
CD2 A:HIS377 3.9 19.9 1.0
CG A:HIS429 4.6 30.5 1.0
ND1 A:HIS429 4.6 30.4 1.0
CE1 A:HIS377 4.6 19.9 1.0
CG2 A:THR378 4.8 73.6 1.0
CB A:HIS429 4.9 30.8 1.0
CD2 A:HIS429 4.9 30.1 1.0
CE1 A:HIS429 5.0 30.2 1.0

Fluorine binding site 3 out of 3 in 2z5z

Go back to Fluorine Binding Sites List in 2z5z
Fluorine binding site 3 out of 3 in the Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F618

b:26.0
occ:0.50
OG A:SER580 3.4 84.2 1.0
CA A:SER580 4.2 20.0 1.0
CB A:SER580 4.3 83.3 1.0
N A:SER580 4.7 19.4 1.0
NH2 A:ARG551 4.7 14.9 1.0
NH1 A:ARG551 5.0 15.3 1.0

Reference:

I.A.Sheikh, R.Jain, N.Singh, S.Sharma, A.Bhushan, P.Kaur, A.Srinivasan, T.P.Singh. Crystal Structure of the Complex of Buffalo Lactoperoxidase with Fluoride Ion at 3.5A Resolution To Be Published.
Page generated: Wed Jul 31 16:55:35 2024

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