Magnesium in PDB 2btd: Crystal Structure of Dhal From E. Coli

The structure of Crystal Structure of Dhal From E. Coli, PDB code: 2btd was solved by A.E.Oberholzer, P.Schneider, C.Bachler, U.Baumann, B.Erni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.40 / 2.60
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	139.030, 139.030, 139.030, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 27.6

The binding sites of Magnesium atom in the Crystal Structure of Dhal From E. Coli (pdb code 2btd). 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 Dhal From E. Coli, PDB code: 2btd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Dhal From E. 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 Dhal From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1212 b:53.8 occ:1.00 O A:HOH2008 2.1 49.9 1.0 O1B A:ADP1211 2.2 51.0 1.0 O1A A:ADP1211 2.2 49.7 1.0 OD2 A:ASP30 2.2 52.9 1.0 OD2 A:ASP35 2.2 57.1 1.0 OD1 A:ASP37 2.2 60.2 1.0 CG A:ASP30 2.9 55.0 1.0 OD1 A:ASP30 3.0 52.3 1.0 PB A:ADP1211 3.1 51.0 1.0 CG A:ASP37 3.1 56.1 1.0 O3B A:ADP1211 3.1 50.9 1.0 CG A:ASP35 3.2 55.8 1.0 PA A:ADP1211 3.3 49.1 1.0 OD2 A:ASP37 3.6 57.7 1.0 OD1 A:ASP35 3.6 55.1 1.0 O3A A:ADP1211 3.6 50.8 1.0 N A:ASP37 3.8 55.2 1.0 N A:ASP35 3.9 57.0 1.0 N A:HIS38 4.0 53.5 1.0 MG A:MG1213 4.1 62.4 1.0 O2A A:ADP1211 4.2 53.7 1.0 CB A:ASP37 4.2 54.9 1.0 CA A:ASP37 4.2 54.9 1.0 C A:ASP37 4.3 54.8 1.0 CB A:ASP30 4.4 52.8 1.0 N A:ALA36 4.4 55.3 1.0 CB A:ASP35 4.4 56.7 1.0 CA A:ASP35 4.5 56.4 1.0 C A:ASP35 4.5 55.4 1.0 O2B A:ADP1211 4.5 48.2 1.0 O5' A:ADP1211 4.5 48.5 1.0 CA A:HIS38 4.6 52.5 1.0 C5' A:ADP1211 4.6 50.3 1.0 CB A:HIS38 4.7 50.3 1.0 OD1 A:ASN41 4.8 57.5 1.0 C A:ALA36 4.9 55.7 1.0 C A:GLY34 4.9 57.2 1.0 O A:ASP30 5.0 55.2 1.0 CD A:ARG178 5.0 58.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Dhal From E. 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 Dhal From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1213 b:62.4 occ:1.00 O1B A:ADP1211 2.2 51.0 1.0 OD2 A:ASP37 2.2 57.7 1.0 OD1 A:ASP35 2.6 55.1 1.0 O2B A:ADP1211 3.0 48.2 1.0 PB A:ADP1211 3.1 51.0 1.0 CG A:ASP37 3.3 56.1 1.0 CG A:ASP35 3.6 55.8 1.0 OD1 A:ASP37 3.7 60.2 1.0 OD2 A:ASP35 3.8 57.1 1.0 O3A A:ADP1211 3.9 50.8 1.0 CA A:GLY78 3.9 61.1 1.0 NE A:ARG178 3.9 62.5 1.0 MG A:MG1212 4.1 53.8 1.0 OD1 A:ASN41 4.3 57.5 1.0 O3B A:ADP1211 4.3 50.9 1.0 CD A:ARG178 4.6 58.5 1.0 CB A:ASP37 4.6 54.9 1.0 CZ A:ARG178 4.7 65.0 1.0 NH2 A:ARG178 4.7 63.0 1.0 N A:GLY78 4.8 63.0 1.0 O A:HOH2039 4.8 50.0 1.0 PA A:ADP1211 4.9 49.1 1.0 O1A A:ADP1211 5.0 49.7 1.0 CB A:ASP35 5.0 56.7 1.0

A.E.Oberholzer, P.Schneider, U.Baumann, B.Erni. Crystal Structure of the Nucleotide-Binding Subunit Dhal of the Escherichia Coli Dihydroxyacetone Kinase. J.Mol.Biol. V. 359 539 2006.
ISSN: ISSN 0022-2836
PubMed: 16647083
DOI: 10.1016/J.JMB.2006.03.057