Magnesium in PDB 4uop: Crystal Structure of the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes

The structure of Crystal Structure of the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes, PDB code: 4uop was solved by I.Campeotto, P.Freemont, A.Grundling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.20 / 1.75
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.198, 53.700, 85.037, 71.63, 76.78, 65.12
R / Rfree (%)	17.826 / 20.738

The structure of Crystal Structure of the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes (pdb code 4uop). 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 the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes, PDB code: 4uop:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes


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 the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1612 b:22.7 occ:1.00 OD2 A:ASP455 2.0 25.4 1.0 OE2 A:GLU237 2.1 27.7 1.0 O A:HOH2021 2.1 37.9 1.0 OG1 A:THR279 2.2 32.4 1.0 NE2 A:HIS456 2.2 27.2 1.0 OE1 A:GLU237 2.3 29.2 1.0 CD A:GLU237 2.5 26.4 1.0 CG A:ASP455 3.0 23.6 1.0 CE1 A:HIS456 3.1 26.2 1.0 CD2 A:HIS456 3.2 25.5 1.0 CB A:THR279 3.3 31.9 1.0 OD1 A:ASP455 3.4 23.5 1.0 CG2 A:THR279 3.8 31.8 1.0 CA A:THR279 3.8 32.1 1.0 CG A:GLU237 4.0 24.8 1.0 N A:THR279 4.0 34.0 1.0 ND1 A:HIS456 4.2 26.3 1.0 OD1 A:ASN278 4.2 47.8 1.0 CG A:HIS456 4.2 24.3 1.0 CB A:ASP455 4.3 22.2 1.0 O A:HOH2019 4.4 28.9 1.0 O A:HOH2049 4.5 39.3 1.0 OG A:SER238 4.5 24.0 1.0 N A:SER238 4.5 22.1 1.0 CD2 A:HIS395 4.5 28.5 1.0 CG A:ASN278 4.6 46.4 1.0 O A:HOH2020 4.6 32.6 1.0 CA A:GLU237 4.7 23.2 1.0 CB A:GLU237 4.7 24.9 1.0 NE2 A:HIS395 4.8 28.9 1.0 C A:ASN278 4.9 37.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes


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 the Lipoteichoic Acid Synthase Ltap From Listeria Monocytogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1616 b:10.9 occ:1.00 OD2 B:ASP455 2.1 19.8 1.0 OG1 B:THR279 2.1 19.2 1.0 OE2 B:GLU237 2.2 18.6 1.0 O A:HOH2125 2.2 21.7 1.0 NE2 B:HIS456 2.2 19.9 1.0 OE1 B:GLU237 2.4 19.4 1.0 CD B:GLU237 2.6 19.2 1.0 CE1 B:HIS456 3.1 18.7 1.0 CG B:ASP455 3.1 16.8 1.0 CD2 B:HIS456 3.2 19.1 1.0 CB B:THR279 3.3 19.4 1.0 OD1 B:ASP455 3.5 17.3 1.0 CA B:THR279 3.7 18.7 1.0 CG2 B:THR279 3.7 19.6 1.0 N B:THR279 3.9 18.8 1.0 O B:HOH2069 4.1 27.7 1.0 CG B:GLU237 4.1 19.0 1.0 OD1 B:ASN278 4.1 24.2 1.0 ND1 B:HIS456 4.2 18.8 1.0 CG B:HIS456 4.3 17.5 1.0 CB B:ASP455 4.3 15.9 1.0 O B:HOH2033 4.5 21.8 1.0 OD2 A:ASP415 4.5 29.3 1.0 CG B:ASN278 4.5 23.3 1.0 OG B:SER238 4.5 17.6 1.0 CD2 B:HIS395 4.5 23.4 1.0 O B:HOH2034 4.6 24.6 1.0 N B:SER238 4.6 17.1 1.0 NE2 B:HIS395 4.8 23.8 1.0 CA B:GLU237 4.8 17.7 1.0 CB B:GLU237 4.8 18.4 1.0 C B:ASN278 4.8 20.7 1.0 ND2 B:ASN278 4.9 25.1 1.0

I.Campeotto, M.G.Percy, J.T.Macdonald, A.Forster, P.S.Freemont, A.Grundling. Structural and Mechanistic Insight Into the Listeria Monocytogenes Two-Enzyme Lipoteichoic Acid Synthesis System J.Biol.Chem. V. 289 28054 2014.
ISSN: ISSN 0021-9258
PubMed: 25128528
DOI: 10.1074/JBC.M114.590570