Magnesium in PDB 2q27: Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli

All present enzymatic activity of Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli:
4.1.1.8;

The structure of Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli, PDB code: 2q27 was solved by T.Werther, A.Zimmer, G.Wille, G.Hubner, M.S.Weiss, S.Konig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.31 / 2.12
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	132.110, 145.440, 147.980, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.7

The binding sites of Magnesium atom in the Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli (pdb code 2q27). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli, PDB code: 2q27:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:27.4 occ:1.00 O2A A:TPP3001 2.0 28.3 1.0 OD1 A:ASP447 2.0 29.9 1.0 O3B A:TPP3001 2.1 28.6 1.0 O A:GLY476 2.1 22.0 1.0 OD1 A:ASN474 2.1 24.3 1.0 O A:HOH6012 2.4 21.6 1.0 PA A:TPP3001 3.1 26.4 1.0 CG A:ASN474 3.1 22.3 1.0 PB A:TPP3001 3.2 27.4 1.0 CG A:ASP447 3.2 25.9 1.0 C A:GLY476 3.3 22.6 1.0 O3A A:TPP3001 3.5 31.0 1.0 ND2 A:ASN474 3.5 17.6 1.0 O7 A:TPP3001 3.7 26.6 1.0 O2B A:TPP3001 3.8 28.8 1.0 OD2 A:ASP447 3.8 30.1 1.0 N A:ASP447 3.8 23.4 1.0 N A:GLY476 4.0 23.5 1.0 N A:SER448 4.1 24.2 1.0 CA A:GLY476 4.2 23.0 1.0 N A:ILE477 4.2 23.9 1.0 O A:PHE472 4.2 26.2 1.0 N A:TYR478 4.2 23.4 1.0 O1A A:TPP3001 4.4 27.7 1.0 CB A:ASP447 4.4 22.8 1.0 CA A:ILE477 4.4 22.4 1.0 O1B A:TPP3001 4.4 26.2 1.0 CB A:ASN474 4.5 24.3 1.0 CA A:ASP447 4.5 23.5 1.0 N A:ASN474 4.6 22.8 1.0 C A:GLY446 4.7 21.8 1.0 OH A:TYR372 4.7 29.9 1.0 C A:ILE477 4.7 23.8 1.0 CA A:GLY446 4.7 20.2 1.0 CB A:SER448 4.8 21.8 1.0 C A:ASP447 4.8 23.8 1.0 CA A:ASN474 4.9 23.5 1.0 N A:GLY475 5.0 23.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:39.5 occ:1.00 O B:GLY476 1.9 35.4 1.0 O2A B:TPP4001 2.0 38.6 1.0 OD1 B:ASP447 2.1 39.1 1.0 O1B B:TPP4001 2.1 37.0 1.0 O B:HOH6081 2.2 34.5 1.0 OD1 B:ASN474 2.3 35.1 1.0 C B:GLY476 3.1 37.1 1.0 PA B:TPP4001 3.1 35.1 1.0 PB B:TPP4001 3.3 35.8 1.0 CG B:ASN474 3.3 36.7 1.0 CG B:ASP447 3.3 38.1 1.0 O3A B:TPP4001 3.5 38.8 1.0 O7 B:TPP4001 3.7 35.4 1.0 ND2 B:ASN474 3.7 36.9 1.0 N B:ASP447 3.8 36.8 1.0 N B:GLY476 4.0 37.9 1.0 N B:SER448 4.0 35.8 1.0 OD2 B:ASP447 4.0 37.7 1.0 CA B:GLY476 4.0 38.0 1.0 O2B B:TPP4001 4.0 34.5 1.0 N B:ILE477 4.1 37.2 1.0 N B:TYR478 4.1 37.9 1.0 CA B:ILE477 4.2 36.3 1.0 O B:PHE472 4.3 38.0 1.0 O1A B:TPP4001 4.4 32.6 1.0 O3B B:TPP4001 4.4 37.5 1.0 CB B:ASP447 4.4 37.5 1.0 CA B:ASP447 4.4 37.5 1.0 C B:ILE477 4.6 36.6 1.0 CB B:SER448 4.6 35.9 1.0 CB B:ASN474 4.6 38.0 1.0 N B:ASN474 4.7 39.2 1.0 C B:ASP447 4.7 37.5 1.0 C B:GLY446 4.7 34.9 1.0 OH B:TYR372 4.9 41.0 1.0 CA B:GLY446 4.9 33.4 1.0 CA B:SER448 4.9 36.5 1.0

T.Werther, A.Zimmer, G.Wille, R.Golbik, M.S.Weiss, S.Konig. New Insights Into Structure-Function Relationships of Oxalyl Coa Decarboxylase From Escherichia Coli. Febs J. V. 277 2628 2010.
ISSN: ISSN 1742-464X
PubMed: 20553497
DOI: 10.1111/J.1742-464X.2010.07673.X