Magnesium in PDB 4uor: Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate

The structure of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate, PDB code: 4uor 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)	48.710 / 2.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	119.246, 119.625, 472.658, 90.00, 90.00, 90.00
R / Rfree (%)	17.82 / 21.36

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Magnesium atom in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate (pdb code 4uor). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 11 binding sites of Magnesium where determined in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate, PDB code: 4uor:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg699 b:40.8 occ:1.00 OE2 A:GLU263 1.8 21.3 1.0 OD2 A:ASP481 1.9 22.0 1.0 OG1 A:TPO307 2.1 33.0 1.0 NE2 A:HIS482 2.3 22.1 1.0 CD A:GLU263 2.7 23.7 1.0 O2P A:TPO307 2.8 24.4 1.0 CD2 A:HIS482 2.9 20.6 1.0 CG A:ASP481 2.9 21.7 1.0 OE1 A:GLU263 3.0 20.9 1.0 P A:TPO307 3.0 20.9 1.0 CE1 A:HIS482 3.2 20.0 1.0 OD1 A:ASP481 3.3 19.5 1.0 CB A:TPO307 3.4 23.8 1.0 CA A:TPO307 3.8 21.7 1.0 O1P A:TPO307 3.9 23.3 1.0 CG2 A:TPO307 3.9 20.6 1.0 CG A:HIS482 4.0 21.1 1.0 ND1 A:HIS482 4.0 23.2 1.0 N A:TPO307 4.1 21.0 1.0 CG A:GLU263 4.1 18.8 1.0 OG A:SER264 4.1 20.6 1.0 CB A:ASP481 4.2 18.9 1.0 O3P A:TPO307 4.2 27.8 1.0 N A:SER264 4.4 18.0 1.0 NE2 A:HIS422 4.4 30.7 1.0 NE2 A:HIS261 4.5 24.5 1.0 O A:HOH2078 4.7 26.2 1.0 CA A:GLU263 4.9 19.0 1.0 CD2 A:HIS422 4.9 27.7 1.0 CE1 A:HIS261 4.9 22.2 1.0 C A:LYS306 5.0 21.3 1.0

Magnesium binding site 2 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg699 b:46.2 occ:1.00 NE2 B:HIS482 1.9 28.2 1.0 OG1 B:TPO307 2.1 32.6 1.0 OE2 B:GLU263 2.2 35.0 1.0 OD2 B:ASP481 2.2 25.1 1.0 O2P B:TPO307 2.6 28.1 1.0 CD2 B:HIS482 2.7 24.8 1.0 CE1 B:HIS482 2.9 26.1 1.0 P B:TPO307 2.9 27.9 1.0 CG B:ASP481 3.1 25.5 1.0 CD B:GLU263 3.1 32.5 1.0 CB B:TPO307 3.4 27.8 1.0 OE1 B:GLU263 3.4 31.7 1.0 OD1 B:ASP481 3.5 24.0 1.0 CG B:HIS482 3.7 28.6 1.0 CA B:TPO307 3.7 24.2 1.0 ND1 B:HIS482 3.8 30.5 1.0 N B:TPO307 3.9 20.0 1.0 O1P B:TPO307 4.0 26.2 1.0 CG2 B:TPO307 4.0 21.2 1.0 O3P B:TPO307 4.0 25.7 1.0 OG B:SER264 4.4 21.9 1.0 CB B:ASP481 4.4 25.4 1.0 CG B:GLU263 4.5 23.1 1.0 NE2 B:HIS422 4.6 42.2 1.0 O B:HOH2064 4.6 37.3 1.0 N B:SER264 4.7 23.1 1.0 C B:LYS306 4.7 27.1 1.0 NE2 B:HIS261 4.9 23.1 1.0 CB B:LYS306 5.0 31.1 1.0

Magnesium binding site 3 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg699 b:40.5 occ:1.00 OE2 C:GLU263 1.8 24.7 1.0 OG1 C:TPO307 2.1 28.2 1.0 OD2 C:ASP481 2.1 22.3 1.0 NE2 C:HIS482 2.4 25.7 1.0 CD C:GLU263 2.6 26.7 1.0 O2P C:TPO307 2.7 25.3 1.0 OE1 C:GLU263 2.8 23.8 1.0 P C:TPO307 2.9 20.4 1.0 CD2 C:HIS482 3.1 20.2 1.0 CG C:ASP481 3.1 20.2 1.0 CB C:TPO307 3.3 23.3 1.0 CE1 C:HIS482 3.4 24.1 1.0 OD1 C:ASP481 3.5 19.3 1.0 O1P C:TPO307 3.6 23.4 1.0 CG2 C:TPO307 3.8 20.4 1.0 CA C:TPO307 3.9 20.0 1.0 CG C:GLU263 4.0 23.9 1.0 OG C:SER264 4.1 23.9 1.0 N C:TPO307 4.1 20.4 1.0 CG C:HIS482 4.2 22.7 1.0 O3P C:TPO307 4.2 25.9 1.0 ND1 C:HIS482 4.3 23.9 1.0 N C:SER264 4.3 18.3 1.0 NE2 C:HIS422 4.4 36.5 1.0 CB C:ASP481 4.4 16.5 1.0 NE2 C:HIS261 4.5 18.1 1.0 O C:HOH2081 4.6 26.6 1.0 CA C:GLU263 4.9 18.7 1.0 O C:HOH2039 4.9 22.7 1.0 CB C:GLU263 4.9 22.2 1.0 CA C:SER264 4.9 20.0 1.0 CD2 C:HIS422 5.0 30.2 1.0

Magnesium binding site 4 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg699 b:36.1 occ:1.00 OE2 D:GLU263 1.9 22.9 1.0 OD2 D:ASP481 2.1 17.9 1.0 OG1 D:TPO307 2.2 26.5 1.0 NE2 D:HIS482 2.3 19.1 1.0 CD D:GLU263 2.6 22.1 1.0 O2P D:TPO307 2.7 23.4 1.0 OE1 D:GLU263 2.8 23.0 1.0 P D:TPO307 2.9 23.3 1.0 CD2 D:HIS482 3.0 22.2 1.0 CG D:ASP481 3.1 18.6 1.0 CE1 D:HIS482 3.1 20.5 1.0 OD1 D:ASP481 3.5 18.8 1.0 CB D:TPO307 3.5 24.8 1.0 O1P D:TPO307 3.8 22.3 1.0 CA D:TPO307 3.9 20.9 1.0 CG D:HIS482 4.0 21.8 1.0 CG D:GLU263 4.1 20.3 1.0 ND1 D:HIS482 4.1 17.4 1.0 OG D:SER264 4.1 16.0 1.0 CG2 D:TPO307 4.1 21.7 1.0 N D:TPO307 4.2 22.8 1.0 O3P D:TPO307 4.2 26.4 1.0 NE2 D:HIS422 4.3 28.4 1.0 N D:SER264 4.4 16.7 1.0 CB D:ASP481 4.4 19.5 1.0 NE2 D:HIS261 4.5 16.3 1.0 O D:HOH2066 4.6 30.5 1.0 CE1 D:HIS261 4.9 20.2 1.0 CD2 D:HIS422 4.9 28.7 1.0 CA D:GLU263 4.9 17.0 1.0

Magnesium binding site 5 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg699 b:41.0 occ:1.00 OE2 E:GLU263 1.9 29.1 1.0 OD2 E:ASP481 2.1 21.1 1.0 OG1 E:TPO307 2.1 29.6 1.0 NE2 E:HIS482 2.2 24.0 1.0 O2P E:TPO307 2.7 27.4 1.0 CD E:GLU263 2.8 27.2 1.0 CD2 E:HIS482 2.9 25.1 1.0 P E:TPO307 3.0 25.0 1.0 OE1 E:GLU263 3.0 27.3 1.0 CG E:ASP481 3.1 22.2 1.0 CE1 E:HIS482 3.2 22.0 1.0 CB E:TPO307 3.4 28.2 1.0 OD1 E:ASP481 3.4 20.0 1.0 O1P E:TPO307 3.8 26.6 1.0 CA E:TPO307 3.9 27.6 1.0 CG2 E:TPO307 3.9 22.6 1.0 CG E:HIS482 3.9 24.9 1.0 ND1 E:HIS482 4.0 25.0 1.0 OG E:SER264 4.1 22.9 1.0 N E:TPO307 4.1 23.4 1.0 CG E:GLU263 4.1 23.3 1.0 O3P E:TPO307 4.2 24.9 1.0 CB E:ASP481 4.4 19.2 1.0 N E:SER264 4.4 17.4 1.0 NE2 E:HIS422 4.5 34.9 1.0 O E:HOH2070 4.6 29.2 1.0 NE2 E:HIS261 4.6 24.2 1.0 O E:HOH2030 4.9 25.7 1.0 C E:LYS306 4.9 24.2 1.0 CD2 E:HIS422 5.0 32.7 1.0 CA E:GLU263 5.0 22.5 1.0 CA E:SER264 5.0 21.4 1.0

Magnesium binding site 6 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg699 b:43.5 occ:1.00 OE2 F:GLU263 1.8 26.0 1.0 OD2 F:ASP481 2.2 24.1 1.0 NE2 F:HIS482 2.2 29.7 1.0 OG1 F:TPO307 2.3 31.4 1.0 CD F:GLU263 2.7 23.8 1.0 O2P F:TPO307 2.7 30.9 1.0 OE1 F:GLU263 2.9 23.9 1.0 CD2 F:HIS482 2.9 22.3 1.0 CE1 F:HIS482 3.1 28.0 1.0 P F:TPO307 3.1 28.9 1.0 CG F:ASP481 3.2 24.0 1.0 CB F:TPO307 3.5 23.9 1.0 OD1 F:ASP481 3.6 23.4 1.0 CG F:HIS482 3.9 23.4 1.0 O1P F:TPO307 4.0 31.8 1.0 ND1 F:HIS482 4.0 28.6 1.0 OG F:SER264 4.0 21.3 1.0 CA F:TPO307 4.0 24.8 1.0 CG2 F:TPO307 4.0 19.9 1.0 CG F:GLU263 4.1 23.7 1.0 N F:TPO307 4.2 23.6 1.0 N F:SER264 4.3 20.1 1.0 O3P F:TPO307 4.3 29.2 1.0 O F:HOH2070 4.4 26.1 1.0 CB F:ASP481 4.5 18.1 1.0 NE2 F:HIS422 4.5 41.9 1.0 NE2 F:HIS261 4.6 18.5 1.0 CA F:SER264 4.9 18.0 1.0 CA F:GLU263 4.9 18.5 1.0

Magnesium binding site 7 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg699 b:40.8 occ:1.00 OE2 G:GLU263 1.9 31.7 1.0 NE2 G:HIS482 2.0 25.6 1.0 OG1 G:TPO307 2.3 33.0 1.0 OD2 G:ASP481 2.3 22.8 1.0 O2P G:TPO307 2.5 25.5 1.0 CD2 G:HIS482 2.8 23.5 1.0 CD G:GLU263 2.9 34.8 1.0 CE1 G:HIS482 2.9 29.4 1.0 P G:TPO307 3.0 30.5 1.0 OE1 G:GLU263 3.2 27.6 1.0 CG G:ASP481 3.3 23.0 1.0 OD1 G:ASP481 3.6 24.9 1.0 CB G:TPO307 3.7 26.3 1.0 O1P G:TPO307 3.8 40.6 1.0 OG G:SER264 3.8 27.2 1.0 CG G:HIS482 3.9 26.2 1.0 ND1 G:HIS482 3.9 26.0 1.0 CA G:TPO307 4.1 22.8 1.0 N G:TPO307 4.2 23.9 1.0 O G:HOH2066 4.2 31.8 1.0 CG G:GLU263 4.2 28.7 1.0 O3P G:TPO307 4.3 32.2 1.0 NE2 G:HIS422 4.3 42.0 1.0 CG2 G:TPO307 4.3 22.8 1.0 N G:SER264 4.4 22.6 1.0 CB G:ASP481 4.6 22.8 1.0 O G:HOH2027 4.7 25.4 1.0 CD2 G:HIS422 4.8 37.3 1.0 NE2 G:HIS261 4.9 28.4 1.0 CA G:SER264 4.9 22.3 1.0 CB G:SER264 5.0 24.0 1.0

Magnesium binding site 8 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg699 b:40.8 occ:1.00 OE2 H:GLU263 1.8 30.1 1.0 OG1 H:TPO307 2.2 32.5 1.0 OD2 H:ASP481 2.3 27.8 1.0 NE2 H:HIS482 2.3 22.5 1.0 O2P H:TPO307 2.5 27.9 1.0 CD H:GLU263 2.6 31.8 1.0 OE1 H:GLU263 2.8 28.6 1.0 P H:TPO307 2.9 31.9 1.0 CE1 H:HIS482 3.1 28.0 1.0 CD2 H:HIS482 3.1 27.0 1.0 CG H:ASP481 3.3 28.2 1.0 CB H:TPO307 3.5 26.6 1.0 OD1 H:ASP481 3.6 29.8 1.0 O1P H:TPO307 3.7 31.8 1.0 OG H:SER264 3.9 27.1 1.0 O H:HOH2057 3.9 41.8 1.0 CG H:GLU263 4.0 28.5 1.0 CG2 H:TPO307 4.0 26.4 1.0 ND1 H:HIS482 4.1 25.6 1.0 CA H:TPO307 4.1 25.3 1.0 CG H:HIS482 4.1 27.4 1.0 NE2 H:HIS422 4.2 34.9 1.0 O3P H:TPO307 4.2 28.2 1.0 N H:TPO307 4.4 26.0 1.0 N H:SER264 4.4 25.7 1.0 CB H:ASP481 4.6 25.6 1.0 CD2 H:HIS422 4.7 34.0 1.0 NE2 H:HIS261 4.7 24.9 1.0 O H:HOH2019 4.9 30.7 1.0 CE1 H:HIS422 5.0 35.7 1.0 CA H:GLU263 5.0 21.7 1.0

Magnesium binding site 9 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg699 b:47.5 occ:1.00 OG1 I:TPO307 1.9 35.0 1.0 OE2 I:GLU263 2.1 33.8 1.0 NE2 I:HIS482 2.2 29.5 1.0 OD2 I:ASP481 2.2 26.6 1.0 O2P I:TPO307 2.5 27.3 1.0 P I:TPO307 2.7 27.7 1.0 CD I:GLU263 2.9 35.4 1.0 CD2 I:HIS482 2.9 29.6 1.0 OE1 I:GLU263 3.0 34.2 1.0 CB I:TPO307 3.2 31.5 1.0 CE1 I:HIS482 3.2 31.9 1.0 CG I:ASP481 3.3 31.2 1.0 O1P I:TPO307 3.6 32.8 1.0 CA I:TPO307 3.6 30.9 1.0 OD1 I:ASP481 3.8 30.0 1.0 N I:TPO307 3.9 31.4 1.0 CG2 I:TPO307 3.9 26.1 1.0 O3P I:TPO307 3.9 31.5 1.0 CG I:HIS482 4.0 37.1 1.0 ND1 I:HIS482 4.2 33.8 1.0 CG I:GLU263 4.3 29.5 1.0 OG I:SER264 4.4 23.2 1.0 O I:HOH2054 4.4 26.2 1.0 NE2 I:HIS422 4.4 41.1 1.0 CB I:ASP481 4.5 30.5 1.0 NE2 I:HIS261 4.7 26.1 1.0 N I:SER264 4.7 26.3 1.0 C I:LYS306 4.8 28.8 1.0 CB I:LYS306 5.0 33.9 1.0 CD2 I:HIS422 5.0 36.6 1.0

Magnesium binding site 10 out of 11 in the Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Structure of Lipoteichoic Acid Synthase Ltas From Listeria Monocytogenes in Complex with Glycerol Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg699 b:54.5 occ:1.00 OE2 J:GLU263 1.9 38.2 1.0 OG1 J:TPO307 2.1 39.8 1.0 OD2 J:ASP481 2.3 28.9 1.0 NE2 J:HIS482 2.3 31.1 1.0 CD J:GLU263 2.6 33.4 1.0 OE1 J:GLU263 2.7 34.6 1.0 O2P J:TPO307 2.7 31.4 1.0 P J:TPO307 2.9 31.4 1.0 CD2 J:HIS482 3.1 28.5 1.0 CE1 J:HIS482 3.3 27.2 1.0 CG J:ASP481 3.3 31.9 1.0 CB J:TPO307 3.4 33.7 1.0 OD1 J:ASP481 3.6 32.9 1.0 O1P J:TPO307 3.7 35.3 1.0 CG2 J:TPO307 3.9 26.9 1.0 CA J:TPO307 3.9 34.8 1.0 OG J:SER264 4.0 25.6 1.0 CG J:GLU263 4.1 30.5 1.0 N J:TPO307 4.1 34.7 1.0 CG J:HIS482 4.2 26.8 1.0 ND1 J:HIS482 4.2 28.2 1.0 O3P J:TPO307 4.2 40.0 1.0 NE2 J:HIS422 4.3 41.6 1.0 N J:SER264 4.4 24.1 1.0 O J:HOH2056 4.4 34.0 1.0 NE2 J:HIS261 4.5 29.6 1.0 CB J:ASP481 4.6 28.5 1.0 CD2 J:HIS422 4.8 44.2 1.0 CE1 J:HIS261 4.9 29.7 1.0 O J:HOH2025 4.9 31.5 1.0 CA J:GLU263 4.9 27.7 1.0 CE1 J:HIS422 5.0 40.8 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