Magnesium in PDB 3op2: Crystal Structure of Putative Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate

The structure of Crystal Structure of Putative Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate, PDB code: 3op2 was solved by V.N.Malashkevich, Y.Patskovsky, U.Ramagopal, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.00
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	117.550, 117.550, 123.210, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.2

The binding sites of Magnesium atom in the Crystal Structure of Putative Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate (pdb code 3op2). 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 Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate, PDB code: 3op2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Putative Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate


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 Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg500 b:22.7 occ:1.00 OE2 A:GLU254 1.9 27.5 1.0 OE2 A:GLU227 2.1 20.2 1.0 O2 A:AKG501 2.1 35.8 1.0 O A:HOH736 2.1 17.1 1.0 OD2 A:ASP201 2.1 24.8 1.0 O5 A:AKG501 2.5 48.0 1.0 C1 A:AKG501 3.0 47.8 1.0 CD A:GLU254 3.0 23.1 1.0 CD A:GLU227 3.1 20.6 1.0 C2 A:AKG501 3.1 37.7 1.0 CG A:ASP201 3.2 31.1 1.0 OE1 A:GLU254 3.5 28.1 1.0 OD1 A:ASP201 3.5 24.5 1.0 CG A:GLU227 3.7 20.0 1.0 O A:HOH603 3.8 20.7 1.0 O A:HOH621 3.8 21.0 1.0 NZ A:LYS171 3.9 22.7 1.0 OE1 A:GLU227 4.0 20.1 1.0 O1 A:AKG501 4.1 36.0 1.0 ND2 A:ASN203 4.2 27.9 1.0 OE1 A:GLU228 4.3 30.5 1.0 CG A:GLU254 4.3 27.5 1.0 CB A:ASP201 4.5 24.3 1.0 C3 A:AKG501 4.6 48.2 1.0 CE A:LYS171 4.6 20.0 1.0 CD2 A:HIS304 4.7 25.3 1.0 CD A:GLU228 4.8 23.5 1.0 CG A:GLU228 4.9 30.0 1.0 CB A:GLU227 5.0 20.2 1.0 CB A:GLU254 5.0 22.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Putative Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate


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 Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg500 b:22.3 occ:1.00 OE1 B:GLU254 2.0 25.3 1.0 OD2 B:ASP201 2.1 18.5 1.0 OE2 B:GLU227 2.1 20.2 1.0 O B:HOH634 2.1 14.8 1.0 O1 B:PO4501 2.1 25.8 1.0 O B:HOH781 2.1 16.1 1.0 CD B:GLU254 3.0 23.8 1.0 CG B:ASP201 3.1 22.4 1.0 CD B:GLU227 3.2 19.4 1.0 P B:PO4501 3.2 33.6 1.0 O2 B:PO4501 3.3 26.4 1.0 OE2 B:GLU254 3.4 26.3 1.0 OD1 B:ASP201 3.5 18.1 1.0 NZ B:LYS173 3.6 28.0 1.0 CG B:GLU227 4.0 19.4 1.0 NZ B:LYS171 4.1 17.5 1.0 OE1 B:GLU227 4.1 19.6 1.0 O4 B:PO4501 4.1 26.4 1.0 O B:HOH613 4.2 17.9 1.0 OD1 B:ASN203 4.2 26.9 1.0 OE1 B:GLU228 4.3 25.4 1.0 O B:HOH649 4.3 14.8 1.0 CG B:GLU254 4.3 25.2 1.0 O3 B:PO4501 4.4 25.7 1.0 CB B:ASP201 4.4 17.7 1.0 CD2 B:HIS304 4.6 18.6 1.0 CE B:LYS171 4.8 22.6 1.0 CG B:ASN203 4.8 31.7 1.0 CD B:GLU228 4.9 23.0 1.0

V.N.Malashkevich, Y.Patskovsky, U.Ramagopal, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative Mandelate Racemase From Bordetella Bronchiseptica RB50 Complexed with 2-Oxoglutarate/Phosphate To Be Published.