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

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

All present enzymatic activity of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with Catechol:
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 Catechol, PDB code: 3hhy 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) 20.00 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.829, 37.482, 74.479, 90.00, 95.73, 90.00
R / Rfree (%) 20.8 / 23.9

Other elements in 3hhy:

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

Magnesium (Mg) 1 atom
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 Catechol (pdb code 3hhy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with Catechol, PDB code: 3hhy:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3hhy

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


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 Catechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl287

b:74.4
occ:1.00
 O A:HOH446 4.0 33.6 1.0
CA A:LYS39 4.1 30.1 1.0
CD1 A:LEU42 4.1 26.0 1.0
N A:LYS39 4.3 29.0 1.0
C A:ALA38 4.5 28.1 1.0
O A:ALA38 4.5 28.1 1.0
CB A:LYS39 4.5 30.6 1.0
CB A:ALA38 4.8 28.1 1.0
CG A:LYS39 4.9 31.6 1.0
CB A:LEU42 5.0 25.7 1.0

Chlorine binding site 2 out of 3 in 3hhy

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with Catechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl288

b:81.5
occ:1.00
 NZ A:LYS150 3.4 38.1 1.0
CD A:LYS150 3.5 34.0 1.0
CE A:LYS150 3.6 36.8 1.0
O A:HOH474 3.8 41.9 1.0
CG A:LYS150 4.7 31.4 1.0
OG A:SER226 4.8 29.8 1.0
O A:HOH559 4.9 55.2 1.0

Chlorine binding site 3 out of 3 in 3hhy

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Determination of Catechol 1,2-Dioxygenase From Rhodococcus Opacus 1CP in Complex with Catechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl289

b:76.2
occ:1.00
 OD2 A:ASP260 4.0 30.6 1.0
OD1 A:ASP260 4.0 29.3 1.0
NZ A:LYS240 4.4 35.4 1.0
NZ A:LYS262 4.5 38.7 1.0
CG A:ASP260 4.5 27.9 1.0
CD A:LYS240 4.8 29.0 1.0
CE A:LYS240 5.0 32.3 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: Sat Jul 20 20:49:39 2024

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