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Calcium in PDB 3eck: Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations

Enzymatic activity of Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations

All present enzymatic activity of Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations:
1.13.11.15;

Protein crystallography data

The structure of Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations, PDB code: 3eck 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) 24.20 / 1.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.735, 163.176, 101.373, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 19.8

Other elements in 3eck:

The structure of Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Chlorine (Cl) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations (pdb code 3eck). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations, PDB code: 3eck:

Calcium binding site 1 out of 1 in 3eck

Go back to Calcium Binding Sites List in 3eck
Calcium binding site 1 out of 1 in the Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of E323L Homoprotocatechuate 2,3-Dioxygenase From Brevibacterium Fuscum in Complex with Putative O-O Bond Cleavage Intermediate Formed Via in Crystallo Reaction with 4-Sulfonyl Catechol at Low Oxygen Concentrations within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca501

b:15.8
occ:1.00
 OE2 B:GLU185 2.3 22.0 1.0
OD1 B:ASP184 2.4 13.6 1.0
O B:HOH504 2.5 21.0 1.0
CG B:ASP184 3.3 13.1 1.0
CD B:GLU185 3.3 23.1 1.0
OD2 B:ASP184 3.5 13.6 1.0
CG B:GLU185 3.8 19.1 1.0
O B:HOH823 4.1 39.4 1.0
O B:HOH766 4.4 31.3 1.0
NE2 B:HIS288 4.4 14.3 1.0
OE1 B:GLU185 4.4 24.4 1.0
CB B:ASP184 4.7 11.9 1.0
N B:ASP184 4.7 11.6 1.0
O B:HOH856 4.7 32.5 1.0
CB B:GLU185 4.7 16.8 1.0
O B:HOH715 4.9 34.5 1.0
CB B:ASP183 4.9 11.3 1.0
N B:GLU185 4.9 14.5 1.0
OD2 B:ASP183 4.9 16.4 1.0
CG B:ASP183 5.0 13.3 1.0

Reference:

E.G.Kovaleva, J.D.Lipscomb. Intermediate in the O-O Bond Cleavage Reaction of An Extradiol Dioxygenase. Biochemistry V. 47 11168 2008.
ISSN: ISSN 0006-2960
PubMed: 18826259
DOI: 10.1021/BI801459Q
Page generated: Sat Jul 13 09:22:18 2024

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