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Chlorine in PDB 1tmx: Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E

Enzymatic activity of Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E

All present enzymatic activity of Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E:
1.13.11.37;

Protein crystallography data

The structure of Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E, PDB code: 1tmx was solved by M.Ferraroni, V.M.Travkin, J.Seifert, M.Schlomann, L.Golovleva, A.Scozzafava, F.Briganti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.283, 84.978, 83.923, 90.00, 92.84, 90.00
R / Rfree (%) 19.3 / 24.7

Other elements in 1tmx:

The structure of Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Copper (Cu) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E (pdb code 1tmx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E, PDB code: 1tmx:

Chlorine binding site 1 out of 1 in 1tmx

Go back to Chlorine Binding Sites List in 1tmx
Chlorine binding site 1 out of 1 in the Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl891

b:23.3
occ:0.60
 CU A:CU871 2.6 23.8 1.0
O A:HOH1072 2.9 33.3 1.0
O A:HOH1050 3.3 30.8 1.0
ND1 A:HIS42 3.4 20.2 1.0
O A:HOH1266 3.4 36.9 1.0
CE1 A:HIS42 3.5 18.8 1.0
ND1 B:HIS42 3.5 20.8 1.0
CE1 B:HIS42 3.6 20.6 1.0
O B:HOH1091 3.6 36.3 1.0
CB A:ALA45 4.4 17.9 1.0
CG A:HIS42 4.7 18.0 1.0
CB B:ALA45 4.7 18.0 1.0
NE2 A:HIS42 4.7 19.2 1.0
O A:HOH1045 4.8 34.3 1.0
NE2 B:HIS42 4.8 20.0 1.0
O B:HOH1055 4.8 33.5 1.0
CG B:HIS42 4.8 19.6 1.0
O A:HOH975 4.9 25.8 1.0

Reference:

M.Ferraroni, J.Seifert, V.M.Travkin, M.Thiel, S.Kaschabek, A.Scozzafava, L.Golovleva, M.Schlomann, F.Briganti. Crystal Structure of the Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E, A Key Enzyme Involved in Polychlorinated Aromatics Biodegradation. J.Biol.Chem. V. 280 21144 2005.
ISSN: ISSN 0021-9258
PubMed: 15772073
DOI: 10.1074/JBC.M500666200
Page generated: Sat Dec 12 08:50:09 2020

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