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Iron 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:

Copper (Cu) 1 atom
Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E, PDB code: 1tmx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1tmx

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


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 Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe861

b:19.8
occ:1.00
OH A:TYR164 1.9 20.7 1.0
OH A:TYR197 2.0 17.9 1.0
NE2 A:HIS221 2.1 18.1 1.0
O1 A:BEZ881 2.1 21.7 1.0
NE2 A:HIS223 2.2 17.3 1.0
O2 A:BEZ881 2.6 22.6 1.0
C A:BEZ881 2.7 21.2 1.0
CZ A:TYR164 3.0 18.4 1.0
CE1 A:HIS221 3.0 16.7 1.0
CE1 A:HIS223 3.1 20.4 1.0
CZ A:TYR197 3.2 22.6 1.0
CD2 A:HIS221 3.2 15.7 1.0
CD2 A:HIS223 3.3 18.5 1.0
CE1 A:TYR164 3.5 20.0 1.0
CE2 A:TYR197 3.6 22.3 1.0
O A:HOH909 4.0 17.7 1.0
CE2 A:TYR164 4.0 18.7 1.0
C1 A:BEZ881 4.1 21.8 1.0
ND1 A:HIS221 4.2 15.6 1.0
NH1 A:ARG218 4.2 18.8 1.0
ND1 A:HIS223 4.2 19.9 1.0
CG A:HIS221 4.3 15.6 1.0
CE1 A:TYR197 4.3 22.5 1.0
CG A:HIS223 4.4 18.9 1.0
O A:HOH908 4.5 20.0 1.0
C6 A:BEZ881 4.8 21.8 1.0
CD1 A:TYR164 4.9 18.9 1.0
C2 A:BEZ881 4.9 22.1 1.0
CD2 A:TYR197 5.0 23.6 1.0

Iron binding site 2 out of 2 in 1tmx

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


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 Hydroxyquinol 1,2-Dioxygenase From Nocardioides Simplex 3E within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe862

b:23.8
occ:1.00
OH B:TYR164 1.9 23.0 1.0
OH B:TYR197 2.0 29.6 1.0
NE2 B:HIS221 2.2 22.2 1.0
NE2 B:HIS223 2.2 21.9 1.0
O1 B:BEZ882 2.3 25.2 0.6
O2 B:BEZ882 2.6 28.0 0.6
C B:BEZ882 2.8 26.9 0.6
CZ B:TYR164 2.9 24.4 1.0
CE1 B:HIS223 3.1 24.5 1.0
CE1 B:HIS221 3.2 18.6 1.0
CZ B:TYR197 3.2 28.0 1.0
CD2 B:HIS223 3.2 24.4 1.0
CD2 B:HIS221 3.2 21.3 1.0
CE1 B:TYR164 3.5 25.6 1.0
CE2 B:TYR197 3.6 28.7 1.0
O B:HOH908 3.9 21.5 1.0
CE2 B:TYR164 4.0 25.1 1.0
NH1 B:ARG218 4.2 27.0 1.0
ND1 B:HIS223 4.3 21.6 1.0
C1 B:BEZ882 4.3 27.5 0.6
ND1 B:HIS221 4.3 19.8 1.0
CG B:HIS223 4.3 22.3 1.0
CG B:HIS221 4.3 20.0 1.0
O B:HOH948 4.3 23.1 1.0
CE1 B:TYR197 4.4 26.8 1.0
CD1 B:TYR164 4.8 27.8 1.0
NE2 B:HIS237 4.9 23.6 1.0
CD2 B:TYR197 4.9 25.1 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 Aug 3 15:19:16 2024

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