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Manganese 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
Calcium (Ca) 1 atom

Manganese Binding Sites:

The binding sites of Manganese 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 Manganese atom.
In total only one binding site of Manganese was determined in the Structure of Oxaloacetate Acetylhydrolase in Complex with the Inhibitor 3,3-Difluorooxalacetate, PDB code: 3m0j:

Manganese binding site 1 out of 1 in 3m0j

Go back to Manganese Binding Sites List in 3m0j
Manganese 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 Manganese with other atoms in the Mn 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:Mn502

b:13.6
occ:1.00
 OD2 A:ASP155 2.1 13.0 1.0
O A:HOH602 2.2 11.5 1.0
O3 A:OAF501 2.2 12.7 1.0
O A:HOH601 2.2 12.3 1.0
O1 A:OAF501 2.2 10.3 1.0
O A:HOH603 2.3 8.7 1.0
C1 A:OAF501 3.0 11.5 1.0
C2 A:OAF501 3.1 17.4 1.0
CG A:ASP155 3.1 10.9 1.0
OD1 A:ASP155 3.6 11.4 1.0
F2 A:OAF501 3.6 20.9 1.0
NZ A:LYS190 3.7 13.6 1.0
OD1 A:ASP157 3.8 14.0 1.0
C3 A:OAF501 3.9 23.1 1.0
O5 A:OAF501 4.1 15.7 1.0
OD2 A:ASP126 4.1 12.6 1.0
NH1 A:ARG229 4.1 8.7 1.0
N A:GLY114 4.2 9.4 1.0
CA A:GLY114 4.2 8.2 1.0
O2 A:OAF501 4.2 12.2 1.0
N A:ALA115 4.2 9.0 1.0
O4 A:OAF501 4.2 15.1 1.0
C4 A:OAF501 4.3 19.0 1.0
CE1 A:HIS182 4.3 11.8 1.0
CB A:ASP155 4.4 9.0 1.0
OD1 A:ASP126 4.5 10.4 1.0
OH A:TYR111 4.6 10.3 1.0
C A:GLY114 4.6 10.0 1.0
CG A:ASP126 4.7 11.5 1.0
CG A:ASP157 4.7 13.3 1.0
OE1 A:GLU184 4.8 11.3 1.0
CE A:LYS190 4.9 18.1 1.0
NE2 A:HIS182 4.9 11.7 1.0
CZ A:ARG229 5.0 13.5 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 Oct 5 16:55:22 2024

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