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Calcium in PDB 3m0j: Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate

Enzymatic activity of Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate

All present enzymatic activity of Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate:
3.7.1.1;

Protein crystallography data

The structure of Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate, PDB code: 3m0j was solved by O.Herzberg, C.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.92 / 1.55
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 82.144, 82.144, 72.660, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 20.1

Other elements in 3m0j:

The structure of Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Manganese (Mn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate (pdb code 3m0j). 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 Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate, PDB code: 3m0j:

Calcium binding site 1 out of 1 in 3m0j

Go back to Calcium Binding Sites List in 3m0j
Calcium binding site 1 out of 1 in the Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:19.3
occ:1.00
 OE2 A:GLU285 2.3 24.7 1.0
OD1 A:ASN286 2.3 21.4 1.0
O A:HOH604 2.4 24.2 1.0
O A:HOH605 2.4 30.4 1.0
CD A:GLU285 3.3 26.6 1.0
CG A:ASN286 3.3 21.7 1.0
ND2 A:ASN286 3.6 15.7 1.0
OE1 A:GLU285 3.9 23.1 1.0
O A:HOH698 4.1 23.3 1.0
O A:HOH693 4.1 31.4 1.0
CG A:GLU285 4.2 22.4 1.0
O A:HOH643 4.5 18.8 1.0
CB A:ASN286 4.6 22.4 1.0
N A:ASN286 4.6 21.2 1.0
CA A:ASN286 4.8 24.4 1.0

Reference:

C.Chen, Q.Sun, B.Narayanan, D.L.Nuss, O.Herzberg. Structure of Oxalacetate Acetylhydrolase, A Virulence Factor of the Chestnut Blight Fungus. J.Biol.Chem. V. 285 26685 2010.
ISSN: ISSN 0021-9258
PubMed: 20558740
DOI: 10.1074/JBC.M110.117804
Page generated: Sat Jul 13 13:26:15 2024

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