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Chlorine in PDB 2ig9: Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup.

Enzymatic activity of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup.

All present enzymatic activity of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup.:
1.13.11.15;

Protein crystallography data

The structure of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup., PDB code: 2ig9 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) 46.08 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.445, 152.802, 99.714, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.4

Other elements in 2ig9:

The structure of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup. 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 A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup. (pdb code 2ig9). 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 A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup., PDB code: 2ig9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2ig9

Go back to Chlorine Binding Sites List in 2ig9
Chlorine binding site 1 out of 4 in the Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:28.4
occ:1.00
 O A:HOH1084 2.9 39.2 1.0
NH1 A:ARG243 3.1 11.3 1.0
NH2 A:ARG243 3.2 17.6 1.0
NH1 A:ARG293 3.3 19.2 1.0
CE1 A:HIS248 3.3 19.2 1.0
CB A:ARG293 3.4 17.1 1.0
ND1 A:HIS248 3.5 17.7 1.0
CG A:ARG293 3.5 16.2 1.0
CD A:ARG293 3.6 16.8 1.0
CZ A:ARG243 3.6 16.9 1.0
CA A:ARG293 3.7 17.0 1.0
O A:ARG293 3.8 18.3 1.0
OH A:TYR257 4.0 16.6 1.0
C A:ARG293 4.1 17.0 1.0
CH2 A:TRP304 4.2 21.4 1.0
CZ A:ARG293 4.3 19.5 1.0
CZ2 A:TRP304 4.3 19.0 1.0
NE A:ARG293 4.4 15.3 1.0
NE2 A:HIS248 4.5 17.0 1.0
CG A:HIS248 4.7 17.0 1.0
O A:HOH809 4.7 19.7 1.0
CZ3 A:TRP304 4.8 21.1 1.0
CZ A:TYR257 4.9 17.4 1.0
NE A:ARG243 5.0 15.2 1.0
CE2 A:TRP304 5.0 20.4 1.0

Chlorine binding site 2 out of 4 in 2ig9

Go back to Chlorine Binding Sites List in 2ig9
Chlorine binding site 2 out of 4 in the Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl702

b:21.9
occ:1.00
 NH1 B:ARG243 3.1 13.2 1.0
NH1 B:ARG293 3.4 17.2 1.0
NH2 B:ARG243 3.4 12.9 1.0
CB B:ARG293 3.4 14.8 1.0
CE1 B:HIS248 3.4 11.9 1.0
CG B:ARG293 3.5 16.7 1.0
ND1 B:HIS248 3.5 14.5 1.0
CD B:ARG293 3.6 15.1 1.0
CZ B:ARG243 3.7 14.9 1.0
CA B:ARG293 3.8 14.7 1.0
O B:ARG293 3.9 16.7 1.0
OH B:TYR257 4.0 16.6 1.0
CH2 B:TRP304 4.1 18.8 1.0
C B:ARG293 4.1 15.2 1.0
CZ2 B:TRP304 4.2 18.9 1.0
CZ B:ARG293 4.3 13.7 1.0
NE B:ARG293 4.4 13.4 1.0
NE2 B:HIS248 4.6 15.4 1.0
CZ3 B:TRP304 4.7 19.0 1.0
CG B:HIS248 4.7 15.8 1.0
CE2 B:TRP304 4.9 16.7 1.0
O B:HOH810 4.9 17.7 1.0
CZ B:TYR257 5.0 17.3 1.0

Chlorine binding site 3 out of 4 in 2ig9

Go back to Chlorine Binding Sites List in 2ig9
Chlorine binding site 3 out of 4 in the Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl703

b:29.8
occ:1.00
 NH1 C:ARG243 3.2 18.1 1.0
NH1 C:ARG293 3.3 24.3 1.0
CE1 C:HIS248 3.3 20.7 1.0
ND1 C:HIS248 3.4 19.4 1.0
NH2 C:ARG243 3.4 19.9 1.0
CG C:ARG293 3.5 22.4 1.0
CB C:ARG293 3.5 21.2 1.0
CD C:ARG293 3.6 22.8 1.0
O C:ARG293 3.7 22.6 1.0
CZ C:ARG243 3.7 20.4 1.0
CA C:ARG293 3.8 21.0 1.0
OH C:TYR257 4.0 17.9 1.0
CH2 C:TRP304 4.1 24.9 1.0
C C:ARG293 4.1 21.1 1.0
CZ2 C:TRP304 4.2 22.7 1.0
CZ C:ARG293 4.3 24.6 1.0
NE2 C:HIS248 4.4 19.8 1.0
NE C:ARG293 4.4 23.6 1.0
CG C:HIS248 4.5 20.8 1.0
CZ3 C:TRP304 4.7 24.8 1.0
O C:HOH810 4.8 18.1 1.0
CE2 C:TRP304 4.9 22.4 1.0
CZ C:TYR257 4.9 17.9 1.0

Chlorine binding site 4 out of 4 in 2ig9

Go back to Chlorine Binding Sites List in 2ig9
Chlorine binding site 4 out of 4 in the Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Full-Length Homoprotocatechuate 2,3-Dioxygenase From B. Fuscum in A New Spacegroup. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl704

b:26.9
occ:1.00
 O D:HOH1103 3.1 34.3 1.0
NH1 D:ARG293 3.2 16.1 1.0
NH1 D:ARG243 3.3 15.6 1.0
CE1 D:HIS248 3.3 20.7 1.0
NH2 D:ARG243 3.3 12.9 1.0
CB D:ARG293 3.4 16.5 1.0
ND1 D:HIS248 3.4 19.9 1.0
CG D:ARG293 3.5 17.3 1.0
CD D:ARG293 3.7 17.8 1.0
CA D:ARG293 3.7 15.7 1.0
CZ D:ARG243 3.8 14.2 1.0
O D:ARG293 3.8 17.6 1.0
OH D:TYR257 3.9 15.8 1.0
C D:ARG293 4.1 16.3 1.0
CH2 D:TRP304 4.1 23.8 1.0
CZ2 D:TRP304 4.2 21.9 1.0
CZ D:ARG293 4.3 17.5 1.0
NE D:ARG293 4.4 18.8 1.0
NE2 D:HIS248 4.5 19.9 1.0
CG D:HIS248 4.7 15.5 1.0
O D:HOH813 4.7 16.0 1.0
CZ3 D:TRP304 4.7 22.4 1.0
CZ D:TYR257 4.9 15.6 1.0
CE2 D:TRP304 4.9 20.7 1.0
CE2 D:TYR257 5.0 16.3 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 08:13:05 2024

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