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Chlorine in PDB 3i4v: Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3-Chlorocatechol

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

All present enzymatic activity of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3-Chlorocatechol:
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-Chlorocatechol, PDB code: 3i4v was solved by I.Matera, M.Ferraroni, F.Briganti, A.Scozzafava, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.655, 37.886, 75.260, 90.00, 95.31, 90.00
R / Rfree (%) 23.5 / 29.8

Other elements in 3i4v:

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

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3-Chlorocatechol (pdb code 3i4v). 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 Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3-Chlorocatechol, PDB code: 3i4v:

Chlorine binding site 1 out of 1 in 3i4v

Go back to Chlorine Binding Sites List in 3i4v
Chlorine binding site 1 out of 1 in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3-Chlorocatechol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with 3-Chlorocatechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl282

b:54.2
occ:1.00
 CL1 A:3CE282 0.0 54.2 1.0
C3 A:3CE282 1.8 50.0 1.0
C4 A:3CE282 2.8 50.2 1.0
C2 A:3CE282 2.8 49.8 1.0
CD1 A:ILE102 2.9 32.2 1.0
O2 A:3CE282 3.1 51.8 1.0
NH1 A:ARG217 3.5 36.1 1.0
CG1 A:ILE102 3.6 31.9 1.0
CA A:GLY104 3.7 32.5 1.0
CZ A:ARG217 3.9 38.0 1.0
C5 A:3CE282 4.1 50.3 1.0
C1 A:3CE282 4.2 49.8 1.0
CB A:ALA250 4.2 33.4 1.0
CD A:ARG217 4.2 34.5 1.0
NE A:ARG217 4.2 37.2 1.0
NE2 A:GLN236 4.3 26.3 1.0
N A:GLY104 4.3 32.2 1.0
O A:ASP80 4.5 35.7 1.0
CD A:PRO105 4.6 31.1 1.0
NH2 A:ARG217 4.6 37.1 1.0
C6 A:3CE282 4.6 48.6 1.0
CB A:ILE102 4.9 33.6 1.0
CE1 A:HIS222 4.9 23.9 1.0
O A:ILE102 4.9 32.2 1.0
C A:ASP80 5.0 35.7 1.0

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: Fri Jul 11 06:12:41 2025

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