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Chlorine in PDB 4ghd: Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution

Enzymatic activity of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution

All present enzymatic activity of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution:
1.13.11.15;

Protein crystallography data

The structure of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution, PDB code: 4ghd 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) 48.05 / 1.85
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.163, 150.701, 96.107, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 18.9

Other elements in 4ghd:

The structure of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 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 Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution (pdb code 4ghd). 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 Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution, PDB code: 4ghd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4ghd

Go back to Chlorine Binding Sites List in 4ghd
Chlorine binding site 1 out of 3 in the Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 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 Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:25.8
occ:1.00
 NH1 A:ARG243 3.1 23.3 1.0
NH1 A:ARG293 3.2 23.4 1.0
CE1 A:HIS248 3.3 21.9 1.0
NH2 A:ARG243 3.3 23.4 1.0
ND1 A:HIS248 3.4 21.2 1.0
CB A:ARG293 3.5 20.5 1.0
CG A:ARG293 3.5 20.5 1.0
CZ A:ARG243 3.6 23.1 1.0
CD A:ARG293 3.7 21.1 1.0
O A:ARG293 3.8 20.4 1.0
CA A:ARG293 3.9 20.0 1.0
CH2 A:TRP304 4.0 23.4 1.0
CZ2 A:TRP304 4.0 21.3 1.0
O A:HOH724 4.0 42.7 1.0
CZ A:ARG293 4.2 22.7 1.0
C A:ARG293 4.2 20.1 1.0
NE A:ARG293 4.4 20.8 1.0
NE2 A:HIS248 4.5 21.4 1.0
CG A:HIS248 4.7 21.6 1.0
CE2 A:TRP304 4.7 22.6 1.0
CE2 A:PHE257 4.7 20.7 1.0
CZ3 A:TRP304 4.7 25.1 1.0
CZ A:PHE257 4.8 20.7 1.0
NE A:ARG243 5.0 22.4 1.0

Chlorine binding site 2 out of 3 in 4ghd

Go back to Chlorine Binding Sites List in 4ghd
Chlorine binding site 2 out of 3 in the Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 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 Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:24.2
occ:1.00
 O B:HOH768 3.2 39.3 1.0
CE1 B:HIS248 3.2 20.8 1.0
NH1 B:ARG243 3.3 20.3 1.0
NH1 B:ARG293 3.3 19.8 1.0
NH2 B:ARG243 3.3 21.1 1.0
ND1 B:HIS248 3.4 20.6 1.0
CB B:ARG293 3.5 20.2 1.0
CD B:ARG293 3.6 21.0 1.0
CG B:ARG293 3.6 21.0 1.0
CZ B:ARG243 3.7 20.7 1.0
O B:ARG293 3.9 21.1 1.0
CA B:ARG293 3.9 20.3 1.0
CH2 B:TRP304 4.1 25.3 1.0
CZ2 B:TRP304 4.1 25.5 1.0
O B:HOH759 4.2 35.1 1.0
C B:ARG293 4.3 20.6 1.0
CZ B:ARG293 4.3 20.4 1.0
NE B:ARG293 4.4 21.1 1.0
NE2 B:HIS248 4.4 21.4 1.0
CG B:HIS248 4.7 19.7 1.0
CZ B:PHE257 4.8 19.5 1.0
CE2 B:TRP304 4.8 24.2 1.0
CE2 B:PHE257 4.8 19.2 1.0
CZ3 B:TRP304 4.8 25.7 1.0

Chlorine binding site 3 out of 3 in 4ghd

Go back to Chlorine Binding Sites List in 4ghd
Chlorine binding site 3 out of 3 in the Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 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 Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with Hpca at 1.85 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl403

b:30.0
occ:1.00
 NH1 D:ARG243 3.1 21.1 1.0
NH2 D:ARG243 3.2 20.2 1.0
O D:HOH757 3.2 35.5 1.0
NH1 D:ARG293 3.3 21.9 1.0
CB D:ARG293 3.5 19.8 1.0
CE1 D:HIS248 3.5 20.3 1.0
CD D:ARG293 3.5 20.3 1.0
CG D:ARG293 3.5 20.8 1.0
CZ D:ARG243 3.6 20.3 1.0
ND1 D:HIS248 3.6 19.8 1.0
CA D:ARG293 4.0 19.6 1.0
CH2 D:TRP304 4.0 22.7 1.0
CZ2 D:TRP304 4.0 23.4 1.0
O D:ARG293 4.1 21.2 1.0
CZ D:ARG293 4.3 20.8 1.0
C D:ARG293 4.3 20.0 1.0
NE D:ARG293 4.4 20.4 1.0
CZ3 D:TRP304 4.6 23.6 1.0
O D:HOH752 4.6 29.2 1.0
CE2 D:TRP304 4.7 21.4 1.0
NE2 D:HIS248 4.7 19.9 1.0
CE2 D:PHE257 4.8 18.6 1.0
CZ D:PHE257 4.8 17.4 1.0
CG D:HIS248 4.9 20.0 1.0
NE D:ARG243 4.9 20.1 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: Sun Jul 21 14:38:09 2024

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