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Fluorine in PDB 5zsx: Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2

Enzymatic activity of Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2

All present enzymatic activity of Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2:
1.13.11.2;

Protein crystallography data

The structure of Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2, PDB code: 5zsx was solved by K.Mishra, C.K.Arya, R.Subramanian, G.Ramanathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.89 / 2.20
Space group P 62 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.281, 102.281, 113.851, 90.00, 90.00, 120.00
R / Rfree (%) 18.7 / 23.6

Other elements in 5zsx:

The structure of Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2 also contains other interesting chemical elements:

Iron (Fe) 1 atom
Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2 (pdb code 5zsx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2, PDB code: 5zsx:

Fluorine binding site 1 out of 1 in 5zsx

Go back to Fluorine Binding Sites List in 5zsx
Fluorine binding site 1 out of 1 in the Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:62.5
occ:1.00
 F1 A:3FA403 0.0 62.5 1.0
C3 A:3FA403 1.4 61.2 1.0
C5 A:3FA403 2.4 61.0 1.0
C1 A:3FA403 2.4 55.8 1.0
O1 A:3FA403 2.8 48.7 1.0
OH A:TYR261 3.1 56.9 1.0
CD1 A:ILE298 3.6 52.2 1.0
C6 A:3FA403 3.6 63.5 1.0
C2 A:3FA403 3.7 58.1 1.0
CE2 A:PHE309 3.7 59.9 1.0
CZ A:PHE309 3.7 61.1 1.0
CE1 A:HIS252 3.8 60.9 1.0
O A:HOH501 3.9 47.2 1.0
CG2 A:ILE298 4.1 63.4 1.0
NE2 A:HIS252 4.1 58.5 1.0
C4 A:3FA403 4.1 62.6 1.0
CZ A:PHE198 4.2 39.7 1.0
ND1 A:HIS252 4.3 59.4 1.0
CD2 A:LEU152 4.3 32.5 1.0
CE2 A:PHE198 4.4 36.7 1.0
CZ A:TYR261 4.4 56.9 1.0
CE1 A:HIS220 4.7 39.8 1.0
CD2 A:HIS252 4.7 55.5 1.0
CG1 A:ILE298 4.7 66.4 1.0
O2 A:3FA403 4.8 51.4 1.0
CB A:ILE298 4.8 72.2 1.0
CG A:HIS252 4.8 59.9 1.0
FE A:FE402 4.9 35.7 1.0
CD2 A:PHE309 4.9 65.4 1.0
CA A:ILE298 5.0 75.4 1.0
CE1 A:PHE309 5.0 67.4 1.0

Reference:

K.Mishra, C.K.Arya, R.Subramanian, G.Ramanathan. Catechol 2,3-Dioxygenase with 3-Fluorocatechol From Diaphorobacter Sp DS2. To Be Published.
Page generated: Thu Aug 1 17:32:49 2024

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