Magnesium in PDB 3pwi: Crystal Structure of the Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate

The structure of Crystal Structure of the Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate, PDB code: 3pwi was solved by A.A.Fedorov, E.V.Fedorov, T.Lukk, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.87 / 2.23
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	150.784, 128.925, 71.419, 90.00, 96.74, 90.00
R / Rfree (%)	20.5 / 25.2

The binding sites of Magnesium atom in the Crystal Structure of the Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate (pdb code 3pwi). 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 Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate, PDB code: 3pwi:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate


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 Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg447 b:47.1 occ:1.00 OD1 A:ASN289 2.3 43.4 1.0 OD1 A:ASP235 2.3 43.8 1.0 O6B A:GLR448 2.6 44.4 1.0 O6A A:GLR448 2.6 52.4 1.0 OE2 A:GLU260 2.7 47.7 1.0 OD2 A:ASP235 2.9 42.5 1.0 CG A:ASP235 2.9 44.3 1.0 C6 A:GLR448 3.0 50.8 1.0 OD2 A:ASP261 3.1 38.9 1.0 CG A:ASN289 3.2 43.0 1.0 ND2 A:ASN237 3.3 43.1 1.0 CG A:GLU260 3.4 45.2 1.0 CD A:GLU260 3.4 43.8 1.0 ND2 A:ASN289 3.5 44.7 1.0 CG A:ASN237 4.1 45.4 1.0 CG A:ASP261 4.1 39.4 1.0 CB A:ASP235 4.3 39.6 1.0 CB A:ASP261 4.3 34.5 1.0 SD A:MET290 4.4 38.4 1.0 C5 A:GLR448 4.5 54.9 1.0 N A:ASN289 4.5 35.4 1.0 CB A:ASN289 4.5 41.3 1.0 CG A:MET290 4.5 40.2 1.0 OD1 A:ASN237 4.6 42.4 1.0 OE1 A:GLU260 4.6 47.3 1.0 CA A:ASN237 4.6 42.7 1.0 NZ A:LYS207 4.8 45.7 1.0 CB A:GLU260 4.8 43.7 1.0 NZ A:LYS205 4.9 43.9 1.0 N A:ASN237 4.9 37.8 1.0 CB A:ASN237 5.0 41.3 1.0 CA A:ASN289 5.0 40.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate


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 Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg447 b:44.9 occ:1.00 OD1 B:ASN289 2.4 39.5 1.0 OD1 B:ASP235 2.4 36.0 1.0 O6B B:GLR448 2.6 39.1 1.0 OE2 B:GLU260 2.7 36.1 1.0 O6A B:GLR448 2.7 48.0 1.0 OD2 B:ASP235 2.9 37.3 1.0 C6 B:GLR448 3.0 46.6 1.0 CG B:ASP235 3.0 39.0 1.0 OD2 B:ASP261 3.2 39.9 1.0 CG B:ASN289 3.2 38.9 1.0 CG B:GLU260 3.3 34.0 1.0 CD B:GLU260 3.3 39.4 1.0 ND2 B:ASN237 3.4 37.0 1.0 ND2 B:ASN289 3.5 37.1 1.0 CG B:ASP261 4.2 37.8 1.0 CG B:ASN237 4.2 41.2 1.0 N B:ASN289 4.3 30.7 1.0 CB B:ASP261 4.4 35.7 1.0 CB B:ASP235 4.5 34.8 1.0 C5 B:GLR448 4.5 48.9 1.0 CB B:ASN289 4.5 37.2 1.0 OE1 B:GLU260 4.6 39.2 1.0 NZ B:LYS207 4.6 38.9 1.0 SD B:MET290 4.6 36.8 1.0 OD1 B:ASN237 4.6 36.6 1.0 CB B:GLU260 4.7 36.5 1.0 CG B:MET290 4.7 35.2 1.0 NZ B:LYS205 4.8 39.4 1.0 CA B:ASN237 4.8 37.6 1.0 CA B:ASN289 4.9 34.4 1.0

A.A.Fedorov, E.V.Fedorov, T.Lukk, J.A.Gerlt, S.C.Almo. Crystal Structure of the Mutant P34A of D-Glucarate Dehydratase From Escherichia Coli Complexed with Product 5-Keto-4-Deoxy-D-Glucarate To Be Published.