Magnesium in PDB 2q29: Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli in Complex with Acetyl Coenzyme A

All present enzymatic activity of Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli in Complex with Acetyl Coenzyme A:
4.1.1.8;

The structure of Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli in Complex with Acetyl Coenzyme A, PDB code: 2q29 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)	42.30 / 1.82
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	132.570, 145.530, 147.190, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.4

The binding sites of Magnesium atom in the Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli in Complex with Acetyl Coenzyme A (pdb code 2q29). 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 in Complex with Acetyl Coenzyme A, PDB code: 2q29:
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 in Complex with Acetyl Coenzyme A


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 in Complex with Acetyl Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:13.2 occ:1.00 OD1 A:ASP447 2.0 12.0 1.0 O3B A:TPP2001 2.1 10.1 1.0 O2A A:TPP2001 2.1 11.6 1.0 O A:GLY476 2.1 12.4 1.0 OD1 A:ASN474 2.1 12.7 1.0 O A:HOH4003 2.2 10.6 1.0 CG A:ASN474 3.1 12.7 1.0 CG A:ASP447 3.2 13.0 1.0 PB A:TPP2001 3.2 12.0 1.0 PA A:TPP2001 3.2 12.5 1.0 C A:GLY476 3.3 13.1 1.0 ND2 A:ASN474 3.5 12.6 1.0 O3A A:TPP2001 3.5 12.9 1.0 O2B A:TPP2001 3.7 13.6 1.0 OD2 A:ASP447 3.8 14.2 1.0 N A:ASP447 3.9 11.2 1.0 O7 A:TPP2001 3.9 12.4 1.0 N A:GLY476 4.0 12.9 1.0 N A:SER448 4.1 10.7 1.0 O A:PHE472 4.2 13.6 1.0 CA A:GLY476 4.2 13.2 1.0 N A:ILE477 4.3 12.8 1.0 N A:TYR478 4.3 13.7 1.0 CB A:ASP447 4.4 11.5 1.0 O1A A:TPP2001 4.5 10.3 1.0 CB A:ASN474 4.5 12.3 1.0 CA A:ASP447 4.5 11.4 1.0 O1B A:TPP2001 4.5 13.6 1.0 CA A:ILE477 4.5 12.1 1.0 N A:ASN474 4.5 12.2 1.0 OH A:TYR372 4.6 15.6 1.0 C A:GLY446 4.7 11.2 1.0 CA A:GLY446 4.8 10.7 1.0 C A:ILE477 4.8 12.9 1.0 C A:ASP447 4.8 11.6 1.0 CA A:ASN474 4.9 13.0 1.0 CB A:SER448 4.9 10.3 1.0 N A:GLY475 4.9 13.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Oxalyl-Coa Decarboxylase From Escherichia Coli in Complex with Acetyl Coenzyme A


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 in Complex with Acetyl Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:21.0 occ:1.00 OD1 B:ASP447 2.0 19.8 1.0 O B:GLY476 2.1 20.6 1.0 OD1 B:ASN474 2.1 19.5 1.0 O2A B:TPP3001 2.1 21.1 1.0 O1B B:TPP3001 2.2 21.4 1.0 O B:HOH4002 2.2 19.8 1.0 CG B:ASN474 3.1 19.8 1.0 CG B:ASP447 3.2 19.2 1.0 PA B:TPP3001 3.3 19.4 1.0 PB B:TPP3001 3.3 21.9 1.0 C B:GLY476 3.3 20.9 1.0 ND2 B:ASN474 3.4 18.3 1.0 O3A B:TPP3001 3.6 21.0 1.0 OD2 B:ASP447 3.8 22.2 1.0 N B:ASP447 3.8 19.1 1.0 O2B B:TPP3001 3.8 20.7 1.0 O7 B:TPP3001 3.9 18.8 1.0 N B:GLY476 4.0 21.1 1.0 O B:PHE472 4.1 22.6 1.0 CA B:GLY476 4.2 20.9 1.0 N B:SER448 4.2 18.6 1.0 N B:ILE477 4.3 20.6 1.0 CB B:ASP447 4.3 19.5 1.0 N B:TYR478 4.4 22.0 1.0 CB B:ASN474 4.4 19.9 1.0 O1A B:TPP3001 4.4 17.4 1.0 CA B:ASP447 4.5 19.6 1.0 CA B:ILE477 4.5 20.4 1.0 N B:ASN474 4.5 20.7 1.0 O3B B:TPP3001 4.5 21.0 1.0 OH B:TYR372 4.7 24.3 1.0 C B:GLY446 4.7 19.1 1.0 CA B:GLY446 4.8 19.0 1.0 CA B:ASN474 4.8 20.7 1.0 C B:ASP447 4.9 18.6 1.0 C B:ILE477 4.9 20.6 1.0 N B:GLY475 4.9 20.7 1.0 CB B:SER448 4.9 18.6 1.0 C B:ASN474 5.0 20.7 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