Atomistry » Chlorine » PDB 4gf0-4gly » 4ghf
Atomistry »
  Chlorine »
    PDB 4gf0-4gly »
      4ghf »

Chlorine in PDB 4ghf: Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution

Enzymatic activity of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution

All present enzymatic activity of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 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 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution, PDB code: 4ghf 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) 89.04 / 1.67
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.519, 150.318, 96.105, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 18.1

Other elements in 4ghf:

The structure of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 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 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution (pdb code 4ghf). 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 Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution, PDB code: 4ghf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4ghf

Go back to Chlorine Binding Sites List in 4ghf
Chlorine binding site 1 out of 4 in the Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 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 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:19.4
occ:0.30
O10 A:4NC402 0.9 24.9 0.7
N9 A:4NC402 2.4 30.4 0.7
NH1 A:ARG243 2.5 29.4 1.0
NH2 A:ARG243 3.0 28.5 1.0
CZ A:ARG243 3.1 29.1 1.0
C3 A:4NC402 3.2 24.4 0.7
C4 A:4NC402 3.2 25.3 0.7
O11 A:4NC402 3.2 33.3 0.7
CE1 A:HIS248 3.4 21.1 1.0
NH1 A:ARG293 3.4 26.2 1.0
ND1 A:HIS248 3.5 19.0 1.0
CB A:ARG293 3.5 20.7 1.0
CD A:ARG293 3.6 22.6 1.0
CG A:ARG293 3.7 21.8 1.0
CH2 A:TRP304 3.8 28.0 1.0
CZ2 A:TRP304 3.8 25.5 1.0
O A:ARG293 4.0 23.4 1.0
CA A:ARG293 4.1 20.9 1.0
C A:ARG293 4.3 21.2 1.0
CZ A:ARG293 4.3 24.1 1.0
C2 A:4NC402 4.3 22.3 0.7
NE A:ARG293 4.4 22.7 1.0
C5 A:4NC402 4.4 25.4 0.7
CZ3 A:TRP304 4.5 29.1 1.0
NE A:ARG243 4.5 28.3 1.0
CE2 A:TRP304 4.5 24.7 1.0
NE2 A:HIS248 4.6 20.6 1.0
CE2 A:PHE257 4.6 19.8 1.0
CZ A:PHE257 4.8 19.9 1.0
CG A:HIS248 4.8 20.0 1.0
O8 A:4NC402 4.9 21.5 0.7

Chlorine binding site 2 out of 4 in 4ghf

Go back to Chlorine Binding Sites List in 4ghf
Chlorine binding site 2 out of 4 in the Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 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 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:27.0
occ:1.00
O B:HOH798 3.1 39.9 1.0
NH1 B:ARG243 3.2 25.3 1.0
NH1 B:ARG293 3.2 21.6 1.0
CE1 B:HIS248 3.3 20.9 1.0
NH2 B:ARG243 3.3 23.5 1.0
ND1 B:HIS248 3.4 20.8 1.0
CB B:ARG293 3.5 18.1 1.0
CG B:ARG293 3.6 18.6 1.0
CD B:ARG293 3.6 20.2 1.0
CZ B:ARG243 3.7 22.5 1.0
O B:ARG293 3.9 20.6 1.0
CA B:ARG293 3.9 17.6 1.0
CH2 B:TRP304 4.0 25.8 1.0
CZ2 B:TRP304 4.1 25.5 1.0
CZ B:ARG293 4.2 19.8 1.0
C B:ARG293 4.3 18.2 1.0
NE B:ARG293 4.4 19.9 1.0
NE2 B:HIS248 4.4 20.1 1.0
CG B:HIS248 4.6 19.5 1.0
O B:HOH795 4.6 26.7 1.0
CZ3 B:TRP304 4.7 27.0 1.0
CE2 B:TRP304 4.7 23.7 1.0
CZ B:PHE257 4.9 18.1 1.0
CE2 B:PHE257 4.9 18.3 1.0
NE B:ARG243 5.0 22.8 1.0

Chlorine binding site 3 out of 4 in 4ghf

Go back to Chlorine Binding Sites List in 4ghf
Chlorine binding site 3 out of 4 in the Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 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 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl406

b:17.4
occ:0.10
O10 C:4NC402 1.0 28.2 0.9
N9 C:4NC402 2.4 28.6 0.9
NH1 C:ARG243 2.5 36.0 1.0
C3 C:4NC402 2.9 21.9 0.9
C4 C:4NC402 3.0 23.2 0.9
NH2 C:ARG243 3.1 36.0 1.0
CZ C:ARG243 3.2 33.2 1.0
O11 C:4NC402 3.3 31.5 0.9
NH1 C:ARG293 3.4 24.4 1.0
CH2 C:TRP304 3.5 30.0 1.0
CE1 C:HIS248 3.5 19.1 1.0
CZ2 C:TRP304 3.5 28.8 1.0
CD C:ARG293 3.7 24.6 1.0
ND1 C:HIS248 3.7 19.2 1.0
CB C:ARG293 3.9 22.9 1.0
CG C:ARG293 4.0 24.1 1.0
C2 C:4NC402 4.1 21.9 0.9
CZ3 C:TRP304 4.2 31.3 1.0
CE2 C:TRP304 4.2 25.9 1.0
C5 C:4NC402 4.3 20.7 0.9
O C:ARG293 4.3 24.1 1.0
CZ C:ARG293 4.3 25.0 1.0
CA C:ARG293 4.4 22.9 1.0
NE C:ARG293 4.5 23.4 1.0
NE C:ARG243 4.5 31.2 1.0
CE2 C:PHE257 4.5 19.1 1.0
CZ C:PHE257 4.6 18.2 1.0
C C:ARG293 4.6 23.1 1.0
NE2 C:HIS248 4.7 19.2 1.0
O8 C:4NC402 4.7 21.0 0.9
CE3 C:TRP304 4.8 29.2 1.0
CD2 C:TRP304 4.9 26.9 1.0
CG C:HIS248 5.0 18.7 1.0

Chlorine binding site 4 out of 4 in 4ghf

Go back to Chlorine Binding Sites List in 4ghf
Chlorine binding site 4 out of 4 in the Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Y257F Variant of Homoprotocatechuate 2,3-Dioxygenase From B.Fuscum in Complex with 4-Nitrocatechol and Dioxygen at 1.67 Ang Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl405

b:19.6
occ:0.30
O10 D:4NC402 0.7 22.3 0.7
N9 D:4NC402 2.2 26.2 0.7
NH1 D:ARG243 2.7 28.9 1.0
C3 D:4NC402 2.9 22.1 0.7
C4 D:4NC402 3.0 22.0 0.7
NH2 D:ARG243 3.1 23.9 1.0
O11 D:4NC402 3.2 26.8 0.7
CZ D:ARG243 3.3 25.7 1.0
NH1 D:ARG293 3.3 20.5 1.0
CE1 D:HIS248 3.3 19.0 1.0
ND1 D:HIS248 3.5 19.0 1.0
CD D:ARG293 3.6 20.4 1.0
CB D:ARG293 3.6 17.7 1.0
CG D:ARG293 3.8 19.4 1.0
CH2 D:TRP304 3.8 26.3 1.0
CZ2 D:TRP304 3.8 23.2 1.0
O D:ARG293 4.1 19.5 1.0
CA D:ARG293 4.1 17.2 1.0
C2 D:4NC402 4.2 21.0 0.7
C5 D:4NC402 4.2 20.6 0.7
CZ D:ARG293 4.3 21.5 1.0
NE D:ARG293 4.4 20.9 1.0
C D:ARG293 4.4 17.1 1.0
CZ3 D:TRP304 4.4 26.2 1.0
CE2 D:TRP304 4.5 21.0 1.0
NE2 D:HIS248 4.5 18.4 1.0
NE D:ARG243 4.6 25.3 1.0
CE2 D:PHE257 4.7 17.0 1.0
CZ D:PHE257 4.7 17.3 1.0
O8 D:4NC402 4.8 19.6 0.7
CG D:HIS248 4.8 18.3 1.0
CE3 D:TRP304 5.0 25.6 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 15:40:59 2025

Last articles

Fe in 7BI7
Fe in 7BHC
Fe in 7BIU
Fe in 7BI1
Fe in 7B9A
Fe in 7BGI
Fe in 7BHB
Fe in 7B97
Fe in 7BHA
Fe in 7BBT
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy