Magnesium in PDB 2fpx: Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex.

All present enzymatic activity of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex.:
3.1.3.15;

The structure of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex., PDB code: 2fpx was solved by E.S.Rangarajan, M.Cygler, A.Matte, Montreal-Kingston Bacterialstructural Genomics Initiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.605, 132.778, 107.162, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.3

The structure of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex. (pdb code 2fpx). 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 N-Terminal Domain of E.Coli Hisb- Sulfate Complex., PDB code: 2fpx:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex.


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 N-Terminal Domain of E.Coli Hisb- Sulfate Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:11.8 occ:1.00 OD2 A:ASP10 2.0 10.7 1.0 OD1 A:ASP131 2.1 11.3 1.0 O A:ASP12 2.1 10.7 1.0 O A:HOH794 2.2 13.5 1.0 O A:HOH799 2.2 15.6 1.0 O A:HOH768 2.2 13.2 1.0 CG A:ASP10 3.0 11.1 1.0 CG A:ASP131 3.2 13.8 1.0 C A:ASP12 3.4 10.7 1.0 OD1 A:ASP10 3.4 12.1 1.0 OD2 A:ASP131 3.5 14.7 1.0 OG1 A:THR14 4.1 8.5 1.0 CA A:ASP12 4.2 11.2 1.0 O A:HOH676 4.2 22.0 1.0 OD2 A:ASP135 4.3 16.2 1.0 O A:HOH604 4.3 14.1 1.0 N A:GLY13 4.3 10.3 1.0 CB A:ASP10 4.3 11.2 1.0 CA A:GLY13 4.3 10.3 1.0 N A:ASP12 4.3 10.8 1.0 O A:HOH621 4.4 18.6 1.0 CG A:ARG132 4.4 14.0 1.0 CB A:ASP12 4.4 11.2 1.0 CB A:ASP131 4.5 12.2 1.0 CD A:ARG132 4.5 14.7 1.0 N A:ASP131 4.5 11.4 1.0 NE A:ARG132 4.5 17.3 1.0 C A:GLY13 4.7 10.2 1.0 OE2 A:GLU18 4.7 21.4 1.0 N A:THR14 4.8 9.8 1.0 CA A:ASP131 4.9 12.5 1.0 N A:ARG132 4.9 12.9 1.0 C A:ARG11 5.0 11.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex.


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 N-Terminal Domain of E.Coli Hisb- Sulfate Complex. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg604 b:8.7 occ:1.00 OD2 B:ASP10 2.0 9.0 1.0 O B:HOH916 2.1 11.2 1.0 O B:HOH911 2.1 8.1 1.0 O B:HOH921 2.1 10.2 1.0 O B:ASP12 2.1 7.9 1.0 OD1 B:ASP131 2.2 8.6 1.0 CG B:ASP10 3.1 8.2 1.0 CG B:ASP131 3.2 8.5 1.0 C B:ASP12 3.4 7.4 1.0 OD1 B:ASP10 3.4 7.5 1.0 OD2 B:ASP131 3.5 11.1 1.0 CG B:ARG132 4.2 13.5 1.0 OG1 B:THR14 4.2 5.6 1.0 OD2 B:ASP135 4.2 10.6 1.0 N B:GLY13 4.3 6.9 1.0 CA B:ASP12 4.3 7.7 1.0 CA B:GLY13 4.3 7.0 1.0 O4 B:SO4606 4.3 26.8 1.0 O B:HOH640 4.3 13.5 1.0 O B:HOH610 4.4 8.1 1.0 CB B:ASP10 4.4 7.5 1.0 N B:ASP12 4.4 7.4 1.0 CB B:ASP12 4.5 7.8 1.0 CB B:ASP131 4.5 9.0 1.0 N B:ASP131 4.6 8.9 1.0 C B:GLY13 4.6 7.0 1.0 OE1 B:GLU18 4.7 10.8 1.0 O B:HOH672 4.7 22.8 1.0 NZ B:LYS106 4.8 18.3 1.0 N B:THR14 4.9 7.2 1.0 N B:ARG132 5.0 10.2 1.0 CA B:ASP131 5.0 9.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Sulfate Complex.


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 N-Terminal Domain of E.Coli Hisb- Sulfate Complex. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg605 b:20.2 occ:1.00 O B:HOH755 2.0 17.1 1.0 O B:HOH726 2.1 18.2 1.0 O B:HOH717 2.1 25.7 1.0 O B:HOH692 2.1 20.5 1.0 O B:HOH727 2.1 23.4 1.0 O B:HOH799 2.2 21.9 1.0 O3 B:SO4606 4.0 23.0 1.0 OD2 B:ASP58 4.0 14.6 1.0 NH2 B:ARG105 4.1 15.8 1.0 O B:HOH874 4.1 38.5 1.0 O B:HOH658 4.1 19.5 1.0 OD1 B:ASP58 4.1 13.1 1.0 O1 B:SO4606 4.2 26.3 1.0 NH2 B:ARG132 4.2 24.6 1.0 O B:HOH865 4.2 43.6 1.0 CG B:ASP58 4.4 11.2 1.0 O4 B:SO4606 4.4 26.8 1.0 S B:SO4606 4.4 27.0 1.0 O B:HOH640 4.5 13.5 1.0 NH1 B:ARG132 4.6 23.2 1.0 CZ B:ARG132 4.8 24.6 1.0 NH1 B:ARG105 4.8 13.8 1.0 CZ B:ARG105 4.9 15.0 1.0

E.S.Rangarajan, A.Proteau, J.Wagner, M.N.Hung, A.Matte, M.Cygler. Structural Snapshots of Escherichia Coli Histidinol Phosphate Phosphatase Along the Reaction Pathway. J.Biol.Chem. V. 281 37930 2006.
ISSN: ISSN 0021-9258
PubMed: 16966333
DOI: 10.1074/JBC.M604916200