Magnesium in PDB 4bub: Crystal Structure of Mure Ligase From Thermotoga Maritima in Complex with Adp

All present enzymatic activity of Crystal Structure of Mure Ligase From Thermotoga Maritima in Complex with Adp:
6.3.2.37; 6.3.2.7;

The structure of Crystal Structure of Mure Ligase From Thermotoga Maritima in Complex with Adp, PDB code: 4bub was solved by S.Favini-Stabile, C.Contreras-Martel, N.Thielens, A.Dessen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.48 / 2.90
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	74.387, 74.387, 441.759, 90.00, 90.00, 120.00
R / Rfree (%)	21.802 / 28.138

The binding sites of Magnesium atom in the Crystal Structure of Mure Ligase From Thermotoga Maritima in Complex with Adp (pdb code 4bub). 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 Mure Ligase From Thermotoga Maritima in Complex with Adp, PDB code: 4bub:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mure Ligase From Thermotoga Maritima in Complex with Adp


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 Mure Ligase From Thermotoga Maritima in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1487 b:70.2 occ:1.00 O3B A:ADP1486 2.3 94.0 1.0 PB A:ADP1486 3.0 0.5 1.0 O1B A:ADP1486 3.2 93.5 1.0 OG1 A:THR137 3.3 0.4 1.0 OE2 A:GLU177 3.6 0.6 1.0 O2B A:ADP1486 3.8 0.7 1.0 OG1 A:THR115 4.0 0.1 1.0 O2A A:ADP1486 4.1 0.6 1.0 CG2 A:THR137 4.1 0.1 1.0 NH2 A:ARG327 4.2 99.5 1.0 CB A:THR137 4.3 0.5 1.0 O3A A:ADP1486 4.4 0.0 1.0 CD A:GLU177 4.4 0.4 1.0 OE1 A:GLU177 4.5 0.5 1.0 CE A:LYS114 4.9 75.8 1.0 PA A:ADP1486 5.0 0.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mure Ligase From Thermotoga Maritima in Complex with Adp


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 Mure Ligase From Thermotoga Maritima in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1487 b:75.4 occ:1.00 O1B B:ADP1486 2.4 0.4 1.0 O3B B:ADP1486 2.8 96.2 1.0 OG1 B:THR137 2.9 93.1 1.0 PB B:ADP1486 3.1 0.8 1.0 OG1 B:THR115 3.5 92.4 1.0 CG2 B:THR137 3.6 0.5 1.0 OE2 B:GLU177 3.7 0.2 1.0 CB B:THR137 3.8 82.8 1.0 O2A B:ADP1486 3.9 0.2 1.0 NH2 B:ARG327 3.9 94.5 1.0 O2B B:ADP1486 4.2 92.5 1.0 O3A B:ADP1486 4.3 0.8 1.0 OE1 B:GLU177 4.5 0.4 1.0 CD B:GLU177 4.5 0.5 1.0 PA B:ADP1486 4.7 0.4 1.0 CB B:THR115 4.7 81.3 1.0 CZ B:ARG327 4.9 0.5 1.0

S.Favini-Stabile, C.Contreras-Martel, N.Thielens, A.Dessen. Mreb and Murg As Scaffolds For the Cytoplasmic Steps of Peptidoglycan Biosynthesis Environ.Microbiol. V. 15 3218 2013.
ISSN: ISSN 1462-2912
PubMed: 23826965
DOI: 10.1111/1462-2920.12171