Magnesium in PDB 3k1s: Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis

The structure of Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis, PDB code: 3k1s was solved by S.M.Anderson, Z.Wawrzak, O.Onopriyenko, K.Kwon, W.F.Anderson, A.Savchenko, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.75 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.887, 92.887, 260.639, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.6

The structure of Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	14 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis (pdb code 3k1s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis, PDB code: 3k1s:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis


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 Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg107 b:22.4 occ:1.00 O A:HOH110 1.8 20.0 1.0 OD1 B:ASP80 1.9 27.7 1.0 OD1 C:ASP80 2.0 24.5 1.0 OD1 A:ASP80 2.1 27.6 1.0 O B:HOH110 2.1 21.2 1.0 O A:HOH111 2.2 26.2 1.0 CG B:ASP80 2.9 21.5 1.0 CG C:ASP80 3.1 23.0 1.0 CG A:ASP80 3.1 23.8 1.0 OD2 B:ASP80 3.2 18.8 1.0 OD2 C:ASP80 3.5 22.3 1.0 OD2 A:ASP80 3.6 23.2 1.0 O C:HOH112 4.0 32.2 1.0 CG2 B:ILE76 4.2 23.9 1.0 CB B:ASP80 4.2 20.3 1.0 O B:ILE76 4.2 20.9 1.0 CB A:ASP80 4.3 23.1 1.0 CB C:ASP80 4.4 18.6 1.0 O A:ILE76 4.4 23.6 1.0 CG2 C:ILE76 4.4 21.2 1.0 CG2 A:ILE76 4.4 20.7 1.0 CA A:ASP80 4.4 23.9 1.0 CA B:ASP80 4.5 20.8 1.0 O C:ILE76 4.5 19.6 1.0 N A:ASP80 4.5 23.9 1.0 CA C:ASP80 4.6 19.6 1.0 N B:ASP80 4.6 18.1 1.0 N C:ASP80 4.7 20.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis


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 Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg107 b:25.3 occ:1.00 OD1 E:ASP80 1.8 27.2 1.0 O D:HOH109 2.0 22.5 1.0 OD1 F:ASP80 2.0 26.4 1.0 O D:HOH110 2.1 23.9 1.0 OD1 D:ASP80 2.2 26.5 1.0 O E:HOH108 2.2 24.4 1.0 CG E:ASP80 2.8 27.9 1.0 CG F:ASP80 3.0 27.6 1.0 OD2 E:ASP80 3.1 26.4 1.0 CG D:ASP80 3.2 28.2 1.0 OD2 F:ASP80 3.4 28.4 1.0 OD2 D:ASP80 3.6 27.6 1.0 O D:HOH246 3.8 31.4 1.0 CB E:ASP80 4.1 27.6 1.0 CB F:ASP80 4.4 27.0 1.0 O E:ILE76 4.4 26.4 1.0 O F:ILE76 4.4 25.2 1.0 CA E:ASP80 4.4 28.2 1.0 O D:ILE76 4.4 22.4 1.0 CB D:ASP80 4.5 26.7 1.0 CG2 D:ILE76 4.5 23.7 1.0 CG2 E:ILE76 4.5 24.2 1.0 CG2 F:ILE76 4.5 22.9 1.0 N E:ASP80 4.5 28.2 1.0 CA F:ASP80 4.6 25.8 1.0 CA D:ASP80 4.6 24.8 1.0 N D:ASP80 4.7 24.9 1.0 N F:ASP80 4.7 26.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg107 b:28.8 occ:1.00 OD1 I:ASP80 1.8 30.4 1.0 O I:HOH109 2.0 24.2 1.0 OD1 G:ASP80 2.0 31.3 1.0 OD1 H:ASP80 2.1 26.1 1.0 O G:HOH109 2.1 21.8 1.0 O I:HOH110 2.1 20.9 1.0 CG I:ASP80 2.9 28.6 1.0 CG H:ASP80 3.0 28.6 1.0 CG G:ASP80 3.1 29.3 1.0 OD2 H:ASP80 3.3 28.3 1.0 OD2 I:ASP80 3.4 24.1 1.0 OD2 G:ASP80 3.6 29.1 1.0 O H:HOH111 3.9 28.7 1.0 CB I:ASP80 4.2 27.3 1.0 O I:ILE76 4.2 21.6 1.0 CB H:ASP80 4.3 24.0 1.0 CB G:ASP80 4.4 25.1 1.0 O H:ILE76 4.4 24.9 1.0 CA I:ASP80 4.4 26.1 1.0 CG2 H:ILE76 4.5 26.1 1.0 N I:ASP80 4.5 25.5 1.0 O G:ILE76 4.6 21.9 1.0 CA H:ASP80 4.6 26.5 1.0 CG2 I:ILE76 4.6 23.2 1.0 CA G:ASP80 4.6 26.4 1.0 CG2 G:ILE76 4.7 25.4 1.0 N H:ASP80 4.7 26.5 1.0 N G:ASP80 4.7 26.1 1.0

S.M.Anderson, Z.Wawrzak, O.Onopriyenko, K.Kwon, W.F.Anderson, A.Savchenko, Center For Structural Genomics Of Infectiousdiseases (Csgid). Crystal Structure of the Pts Cellobiose Specific Enzyme Iia From Bacillus Anthracis To Be Published.