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Iron in PDB 3i4y: Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol

Enzymatic activity of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol

All present enzymatic activity of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol:
1.13.11.1;

Protein crystallography data

The structure of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol, PDB code: 3i4y was solved by I.Matera, M.Ferraroni, M.Kolomytseva, F.Briganti, A.Scozzafava, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.54 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.818, 37.619, 74.817, 90.00, 94.81, 90.00
R / Rfree (%) 20.4 / 26.7

Other elements in 3i4y:

The structure of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol (pdb code 3i4y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol, PDB code: 3i4y:

Iron binding site 1 out of 1 in 3i4y

Go back to Iron Binding Sites List in 3i4y
Iron binding site 1 out of 1 in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3,5-Dichlorocatechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe281

b:23.0
occ:1.00
 OH A:TYR162 1.8 24.5 1.0
O7 A:35C1 1.9 24.5 0.5
NE2 A:HIS222 2.1 16.7 1.0
O7 A:35C1 2.1 35.5 0.5
O8 A:35C1 2.1 27.7 0.5
NE2 A:HIS220 2.2 20.0 1.0
O8 A:35C1 2.3 35.5 0.5
C1 A:35C1 2.8 25.3 0.5
C2 A:35C1 2.8 24.4 0.5
CZ A:TYR162 2.9 25.4 1.0
C1 A:35C1 3.0 36.1 0.5
CE1 A:HIS222 3.0 17.8 1.0
C2 A:35C1 3.1 35.4 0.5
CD2 A:HIS222 3.1 17.9 1.0
CD2 A:HIS220 3.1 23.7 1.0
CE1 A:HIS220 3.2 20.5 1.0
CE1 A:TYR162 3.5 26.2 1.0
O A:HOH6 3.9 22.2 1.0
CE2 A:TYR162 3.9 27.4 1.0
C6 A:35C1 4.1 23.8 0.5
C3 A:35C1 4.1 26.3 0.5
ND1 A:HIS222 4.2 21.2 1.0
O A:HOH7 4.2 21.9 1.0
CG A:HIS222 4.2 19.1 1.0
NH1 A:ARG217 4.2 21.2 1.0
CG A:HIS220 4.3 19.1 1.0
C6 A:35C1 4.3 36.2 0.5
ND1 A:HIS220 4.3 18.1 1.0
C3 A:35C1 4.4 36.6 0.5
CD1 A:TYR106 4.6 33.5 1.0
CD1 A:TYR162 4.9 25.3 1.0
CL9 A:35C1 4.9 25.1 0.5

Reference:

I.Matera, M.Ferraroni, M.Kolomytseva, L.Golovleva, A.Scozzafava, F.Briganti. Catechol 1,2-Dioxygenase From the Gram-Positive Rhodococcus Opacus 1CP: Quantitative Structure/Activity Relationship and the Crystal Structures of Native Enzyme and Catechols Adducts. J.Struct.Biol. V. 170 548 2010.
ISSN: ISSN 1047-8477
PubMed: 20040374
DOI: 10.1016/J.JSB.2009.12.023
Page generated: Tue Aug 5 02:10:36 2025

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