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Chlorine in PDB 2iga: Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations.

Enzymatic activity of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations.

All present enzymatic activity of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations.:
1.13.11.15;

Protein crystallography data

The structure of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations., PDB code: 2iga was solved by E.G.Kovaleva, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.70 / 1.95
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.678, 153.022, 96.389, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 24.5

Other elements in 2iga:

The structure of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations. also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations. (pdb code 2iga). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations., PDB code: 2iga:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2iga

Go back to Chlorine Binding Sites List in 2iga
Chlorine binding site 1 out of 4 in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl700

b:13.7
occ:0.40
O8 A:XXP600 1.0 40.5 0.6
C6 A:XXP600 2.2 44.7 0.6
N7 A:XXP600 2.2 41.2 0.6
C5 A:XXP600 2.7 41.4 0.6
NH1 A:ARG243 3.1 25.8 1.0
O10 A:XXP600 3.2 45.3 0.6
NH1 A:ARG293 3.3 25.7 1.0
O9 A:XXP600 3.3 40.4 0.6
CE1 A:HIS248 3.4 29.2 1.0
ND1 A:HIS248 3.5 29.4 1.0
NH2 A:ARG243 3.5 26.3 1.0
CB A:ARG293 3.6 27.6 1.0
CG A:ARG293 3.6 26.3 1.0
CD A:ARG293 3.7 26.8 1.0
CZ A:ARG243 3.7 30.2 1.0
O A:ARG293 3.9 29.4 1.0
CA A:ARG293 3.9 27.4 1.0
OH A:TYR257 3.9 24.1 1.0
CH2 A:TRP304 4.0 31.7 1.0
CZ2 A:TRP304 4.1 29.4 1.0
C A:ARG293 4.2 28.2 1.0
C4 A:XXP600 4.2 37.7 0.6
CZ A:ARG293 4.3 28.3 1.0
NE A:ARG293 4.5 27.1 1.0
NE2 A:HIS248 4.5 28.3 1.0
CZ3 A:TRP304 4.7 32.9 1.0
CG A:HIS248 4.7 31.0 1.0
O12 A:XXP600 4.7 28.0 0.6
CE2 A:TRP304 4.8 26.1 1.0
C1 A:XXP600 4.9 26.4 0.6
CZ A:TYR257 4.9 22.5 1.0
O13 A:XXP600 5.0 21.6 0.6
CE2 A:TYR257 5.0 25.1 1.0

Chlorine binding site 2 out of 4 in 2iga

Go back to Chlorine Binding Sites List in 2iga
Chlorine binding site 2 out of 4 in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl700

b:6.4
occ:0.25
O10 B:XX3600 0.6 39.8 0.8
N9 B:XX3600 2.0 43.7 0.8
O11 B:XX3600 2.8 45.2 0.8
C4 B:XX3600 3.1 41.4 0.8
NH1 B:ARG243 3.1 27.3 1.0
CE1 B:HIS248 3.2 27.9 1.0
ND1 B:HIS248 3.3 30.2 1.0
NH2 B:ARG243 3.3 30.0 1.0
CB B:ARG293 3.4 25.7 1.0
C3 B:XX3600 3.4 38.9 0.8
NH1 B:ARG293 3.5 25.5 1.0
CG B:ARG293 3.5 25.9 1.0
CD B:ARG293 3.6 26.9 1.0
O B:ARG293 3.6 27.8 1.0
CZ B:ARG243 3.6 29.9 1.0
CA B:ARG293 3.7 24.6 1.0
C B:ARG293 3.9 25.3 1.0
OH B:TYR257 4.0 23.7 1.0
C5 B:XX3600 4.3 40.7 0.8
NE2 B:HIS248 4.3 26.0 1.0
CZ B:ARG293 4.4 25.7 1.0
NE B:ARG293 4.4 27.7 1.0
CH2 B:TRP304 4.5 27.8 1.0
CZ2 B:TRP304 4.5 29.4 1.0
CG B:HIS248 4.5 25.0 1.0
C2 B:XX3600 4.7 36.9 0.8
O8 B:XX3600 4.9 34.5 0.8
NE B:ARG243 5.0 29.1 1.0
CE2 B:TYR257 5.0 25.1 1.0
CZ B:TYR257 5.0 25.0 1.0

Chlorine binding site 3 out of 4 in 2iga

Go back to Chlorine Binding Sites List in 2iga
Chlorine binding site 3 out of 4 in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl700

b:11.7
occ:0.25
O10 C:XX2601 1.1 37.2 0.8
N9 C:XX2601 2.2 38.9 0.8
O11 C:XX2601 3.0 41.7 0.8
C4 C:XX2601 3.0 31.1 0.8
NH1 C:ARG243 3.1 34.4 1.0
CE1 C:HIS248 3.1 25.1 1.0
C3 C:XX2601 3.1 32.7 0.8
NH2 C:ARG243 3.2 33.2 1.0
ND1 C:HIS248 3.3 21.7 1.0
NH1 C:ARG293 3.4 31.3 1.0
CZ C:ARG243 3.6 31.4 1.0
CB C:ARG293 3.7 30.6 1.0
O C:ARG293 3.7 29.4 1.0
CD C:ARG293 3.7 31.4 1.0
CG C:ARG293 3.9 31.0 1.0
CA C:ARG293 3.9 30.8 1.0
OH C:TYR257 3.9 28.1 1.0
C C:ARG293 4.1 29.9 1.0
CH2 C:TRP304 4.2 33.9 1.0
NE2 C:HIS248 4.2 25.7 1.0
CZ2 C:TRP304 4.3 30.3 1.0
C5 C:XX2601 4.3 32.1 0.8
CZ C:ARG293 4.4 29.2 1.0
C2 C:XX2601 4.4 27.8 0.8
NE C:ARG293 4.5 29.4 1.0
CG C:HIS248 4.5 26.6 1.0
CZ3 C:TRP304 4.8 33.4 1.0
O8 C:XX2601 4.8 19.6 0.8
CE2 C:TRP304 4.9 30.9 1.0
NE C:ARG243 4.9 32.6 1.0
CZ C:TYR257 4.9 28.0 1.0
CE2 C:TYR257 4.9 25.6 1.0

Chlorine binding site 4 out of 4 in 2iga

Go back to Chlorine Binding Sites List in 2iga
Chlorine binding site 4 out of 4 in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in Complex with Reactive Intermediates Formed Via in Crystallo Reaction with 4-Nitrocatechol at Low Oxygen Concentrations. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl700

b:6.9
occ:0.25
O10 D:XX3600 1.1 38.2 0.8
N9 D:XX3600 2.5 39.3 0.8
NH1 D:ARG243 3.0 29.1 1.0
NH2 D:ARG243 3.2 27.9 1.0
C4 D:XX3600 3.3 38.2 0.8
C3 D:XX3600 3.3 36.2 0.8
O11 D:XX3600 3.3 42.6 0.8
NH1 D:ARG293 3.4 26.0 1.0
CB D:ARG293 3.4 25.0 1.0
CE1 D:HIS248 3.5 25.3 1.0
CZ D:ARG243 3.5 28.0 1.0
ND1 D:HIS248 3.5 25.9 1.0
CG D:ARG293 3.5 22.8 1.0
CD D:ARG293 3.6 24.5 1.0
OH D:TYR257 3.8 28.0 1.0
CA D:ARG293 3.9 24.6 1.0
O D:ARG293 3.9 26.1 1.0
CH2 D:TRP304 4.0 30.4 1.0
CZ2 D:TRP304 4.0 29.4 1.0
C D:ARG293 4.2 25.8 1.0
CZ D:ARG293 4.4 26.0 1.0
NE D:ARG293 4.5 26.2 1.0
C2 D:XX3600 4.6 33.4 0.8
CZ3 D:TRP304 4.6 33.7 1.0
C5 D:XX3600 4.6 35.1 0.8
O8 D:XX3600 4.6 25.9 0.8
CE2 D:TRP304 4.6 26.9 1.0
NE2 D:HIS248 4.7 22.0 1.0
CZ D:TYR257 4.8 29.2 1.0
CG D:HIS248 4.8 25.5 1.0
NE D:ARG243 4.8 26.9 1.0
CE2 D:TYR257 4.8 29.0 1.0

Reference:

E.G.Kovaleva, J.D.Lipscomb. Crystal Structures of FE2+ Dioxygenase Superoxo, Alkylperoxo, and Bound Product Intermediates Science V. 316 453 2007.
ISSN: ISSN 0036-8075
PubMed: 17446402
DOI: 10.1126/SCIENCE.1134697
Page generated: Sat Jul 20 08:13:12 2024

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