Magnesium in PDB 2gl5: Crystal Structure of Putative Dehydratase From Salmonella Thyphimurium

The structure of Crystal Structure of Putative Dehydratase From Salmonella Thyphimurium, PDB code: 2gl5 was solved by Y.Patskovsky, J.M.Sauder, M.Dickey, J.M.Adams, S.Ozyurt, S.R.Wasserman, J.Gerlt, S.C.Almo, S.K.Burley, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	116.972, 116.972, 116.095, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.8

The binding sites of Magnesium atom in the Crystal Structure of Putative Dehydratase From Salmonella Thyphimurium (pdb code 2gl5). 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 Putative Dehydratase From Salmonella Thyphimurium, PDB code: 2gl5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Putative Dehydratase From Salmonella Thyphimurium


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 Putative Dehydratase From Salmonella Thyphimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg699 b:8.7 occ:1.00 OE2 A:GLU248 2.0 12.5 1.0 O A:HOH961 2.1 11.9 1.0 OE2 A:GLU274 2.1 7.2 1.0 O A:HOH962 2.1 10.9 1.0 OE1 A:GLU222 2.2 9.4 1.0 O A:HOH960 2.2 12.2 1.0 CD A:GLU222 3.1 10.1 1.0 CD A:GLU248 3.1 9.1 1.0 CD A:GLU274 3.1 11.5 1.0 OE2 A:GLU222 3.3 6.6 1.0 OE1 A:GLU274 3.5 12.4 1.0 CG A:GLU248 3.9 7.1 1.0 OE1 A:GLU248 3.9 9.1 1.0 O A:HOH743 4.0 11.8 1.0 NZ A:LYS168 4.0 6.0 1.0 OE1 A:GLU249 4.1 8.9 1.0 NE2 A:GLN134 4.2 10.4 1.0 O A:HOH711 4.3 8.2 1.0 CD2 A:HIS224 4.3 9.1 1.0 CG A:GLU274 4.4 8.0 1.0 O A:HOH953 4.4 22.7 1.0 CD2 A:HIS324 4.4 12.0 1.0 CG A:GLU222 4.5 8.6 1.0 NE2 A:HIS224 4.5 10.3 1.0 O A:HOH957 4.5 27.0 1.0 O A:HOH700 4.6 26.3 1.0 NE2 A:HIS324 4.7 9.1 1.0 CE A:LYS168 4.7 8.1 1.0 CG A:GLU249 4.8 5.6 1.0 CD A:GLU249 4.9 7.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Putative Dehydratase From Salmonella Thyphimurium


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 Putative Dehydratase From Salmonella Thyphimurium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg700 b:6.8 occ:1.00 O B:HOH982 2.0 9.0 1.0 OE2 B:GLU248 2.0 7.9 1.0 O B:HOH981 2.1 9.9 1.0 OE2 B:GLU274 2.1 6.8 1.0 OE1 B:GLU222 2.2 7.3 1.0 O B:HOH983 2.2 10.5 1.0 CD B:GLU222 3.1 8.2 1.0 CD B:GLU274 3.1 9.0 1.0 CD B:GLU248 3.2 6.3 1.0 OE2 B:GLU222 3.3 6.8 1.0 OE1 B:GLU274 3.4 12.3 1.0 OE1 B:GLU248 4.0 8.5 1.0 O B:HOH769 4.1 14.1 1.0 OE1 B:GLU249 4.1 8.3 1.0 NZ B:LYS168 4.1 4.3 1.0 CG B:GLU248 4.1 7.1 1.0 NE2 B:GLN134 4.2 9.9 1.0 O B:HOH743 4.3 8.8 1.0 CD2 B:HIS224 4.3 10.3 1.0 O B:HOH774 4.3 20.8 1.0 O B:HOH899 4.4 23.3 1.0 CG B:GLU274 4.4 7.5 1.0 CD2 B:HIS324 4.4 13.3 1.0 CG B:GLU222 4.5 6.3 1.0 NE2 B:HIS224 4.5 9.5 1.0 NE2 B:HIS324 4.7 9.3 1.0 CE B:LYS168 4.8 7.8 1.0 CG B:GLU249 4.8 6.2 1.0 CD B:GLU249 4.9 4.5 1.0 CZ A:PHE84 5.0 11.6 1.0

Y.Patskovsky, J.M.Sauder, M.Dickey, J.M.Adams, S.Ozyurt, S.R.Wasserman, J.Gerlt, S.C.Almo. Crystal Structure of Putative Dehydratase From Salmonella Thyphimurium LT2 To Be Published.