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Chlorine in PDB 4ghg: Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution

Enzymatic activity of Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution

All present enzymatic activity of Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution:
1.13.11.15;

Protein crystallography data

The structure of Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution, PDB code: 4ghg 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) 45.86 / 1.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.540, 150.785, 96.276, 90.00, 90.00, 90.00
R / Rfree (%) 12.7 / 16.1

Other elements in 4ghg:

The structure of Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution 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 Hpca at 1.50 Ang Resolution (pdb code 4ghg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution, PDB code: 4ghg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4ghg

Go back to Chlorine Binding Sites List in 4ghg
Chlorine binding site 1 out of 3 in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution


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 Hpca at 1.50 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:17.2
occ:1.00
 O A:HOH791 3.2 21.6 1.0
NH1 A:ARG293 3.2 15.8 1.0
CE1 A:HIS248 3.2 14.6 1.0
NH1 A:ARG243 3.2 15.0 1.0
NH2 A:ARG243 3.3 14.5 1.0
ND1 A:HIS248 3.3 13.6 1.0
CB A:ARG293 3.4 13.4 1.0
CG A:ARG293 3.5 14.6 1.0
CD A:ARG293 3.6 14.4 1.0
O A:ARG293 3.7 13.9 1.0
CA A:ARG293 3.7 13.4 1.0
CZ A:ARG243 3.7 15.3 1.0
OH A:TYR257 3.9 15.1 1.0
C A:ARG293 4.1 13.0 1.0
CH2 A:TRP304 4.1 18.4 1.0
CZ A:ARG293 4.2 15.4 1.0
CZ2 A:TRP304 4.2 17.2 1.0
NE A:ARG293 4.3 14.3 1.0
NE2 A:HIS248 4.4 14.7 1.0
CG A:HIS248 4.6 13.8 1.0
O A:HOH788 4.7 16.5 1.0
CZ3 A:TRP304 4.7 19.1 1.0
CZ A:TYR257 4.9 13.8 1.0

Chlorine binding site 2 out of 3 in 4ghg

Go back to Chlorine Binding Sites List in 4ghg
Chlorine binding site 2 out of 3 in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution


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 Hpca at 1.50 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:16.0
occ:1.00
 NH1 B:ARG243 3.2 15.3 1.0
O B:HOH830 3.2 19.7 1.0
NH1 B:ARG293 3.2 15.7 1.0
CE1 B:HIS248 3.3 12.8 1.0
NH2 B:ARG243 3.3 14.3 1.0
ND1 B:HIS248 3.4 13.3 1.0
CB B:ARG293 3.4 14.1 1.0
CG B:ARG293 3.5 13.6 1.0
CD B:ARG293 3.6 14.5 1.0
O B:ARG293 3.7 14.0 1.0
CZ B:ARG243 3.7 14.5 1.0
CA B:ARG293 3.8 14.0 1.0
OH B:TYR257 3.9 14.3 1.0
C B:ARG293 4.1 13.5 1.0
CH2 B:TRP304 4.1 17.3 1.0
CZ B:ARG293 4.2 14.2 1.0
CZ2 B:TRP304 4.3 16.9 1.0
NE B:ARG293 4.4 14.6 1.0
NE2 B:HIS248 4.4 13.2 1.0
CG B:HIS248 4.6 13.2 1.0
O B:HOH827 4.7 15.8 1.0
CZ3 B:TRP304 4.8 18.4 1.0
CZ B:TYR257 5.0 13.6 1.0
CE2 B:TRP304 5.0 15.2 1.0

Chlorine binding site 3 out of 3 in 4ghg

Go back to Chlorine Binding Sites List in 4ghg
Chlorine binding site 3 out of 3 in the Structure of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.50 Ang Resolution


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 Hpca at 1.50 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl403

b:17.6
occ:1.00
 O D:HOH859 3.2 25.3 1.0
NH1 D:ARG243 3.2 13.7 1.0
NH1 D:ARG293 3.2 13.3 1.0
NH2 D:ARG243 3.3 13.4 1.0
CE1 D:HIS248 3.3 12.5 1.0
ND1 D:HIS248 3.4 11.7 1.0
CB D:ARG293 3.5 11.7 1.0
CG D:ARG293 3.5 12.2 1.0
CD D:ARG293 3.6 13.4 1.0
CZ D:ARG243 3.7 12.9 1.0
CA D:ARG293 3.8 12.1 1.0
O D:ARG293 3.8 14.5 1.0
OH D:TYR257 4.0 13.1 1.0
CH2 D:TRP304 4.1 14.7 1.0
C D:ARG293 4.1 13.0 1.0
CZ2 D:TRP304 4.2 14.0 1.0
CZ D:ARG293 4.2 12.8 1.0
NE D:ARG293 4.4 12.3 1.0
NE2 D:HIS248 4.5 12.8 1.0
CG D:HIS248 4.6 11.6 1.0
CZ3 D:TRP304 4.7 15.6 1.0
O D:HOH858 4.7 14.4 1.0
CE2 D:TRP304 4.9 14.0 1.0
CZ D:TYR257 5.0 12.8 1.0

Reference:

E.G.Kovaleva, J.D.Lipscomb. Structural Basis For the Role of Tyrosine 257 of Homoprotocatechuate 2,3-Dioxygenase in Substrate and Oxygen Activation. Biochemistry V. 51 8755 2012.
ISSN: ISSN 0006-2960
PubMed: 23066739
DOI: 10.1021/BI301115C
Page generated: Fri Jul 11 15:41:03 2025

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