Magnesium in PDB 3ekg: Crystal Structure of L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate

The structure of Crystal Structure of L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate, PDB code: 3ekg was solved by A.A.Fedorov, E.V.Fedorov, J.M.Sauder, S.K.Burley, J.A.Gerlt, S.C.Almo, Newyork Sgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.27 / 1.60
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	119.326, 119.326, 116.696, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 21.4

The binding sites of Magnesium atom in the Crystal Structure of L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate (pdb code 3ekg). 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 L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate, PDB code: 3ekg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate


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 L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:12.0 occ:1.00 OE1 A:GLU270 2.0 12.4 1.0 O1 A:TLA501 2.1 13.3 1.0 OE2 A:GLU242 2.1 10.1 1.0 OD2 A:ASP216 2.1 12.3 1.0 O A:HOH617 2.1 13.1 1.0 O2 A:TLA501 2.2 13.7 1.0 C1 A:TLA501 2.9 16.8 1.0 CD A:GLU270 3.0 13.5 1.0 C2 A:TLA501 3.0 16.0 1.0 CG A:ASP216 3.1 11.8 1.0 CD A:GLU242 3.1 11.1 1.0 OE2 A:GLU270 3.3 15.5 1.0 OD1 A:ASP216 3.4 12.6 1.0 CG A:GLU242 3.8 10.3 1.0 NZ A:LYS179 3.9 12.1 1.0 O A:HOH640 4.0 12.8 1.0 O3 A:TLA501 4.0 17.9 1.0 OE1 A:GLU242 4.1 8.2 1.0 O A:HOH607 4.1 12.0 1.0 O11 A:TLA501 4.1 15.2 1.0 C3 A:TLA501 4.2 16.6 1.0 CG A:GLU270 4.3 14.4 1.0 OE1 A:GLU243 4.3 13.8 1.0 CB A:ASP216 4.4 12.7 1.0 CE A:LYS179 4.5 11.4 1.0 CD2 A:HIS320 4.6 23.0 1.0 CB A:GLU242 4.9 10.0 1.0 CB A:GLU270 5.0 10.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate


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 L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:11.0 occ:1.00 OD2 B:ASP216 2.0 11.1 1.0 OE2 B:GLU242 2.1 10.0 1.0 O1 B:TLA502 2.1 14.1 1.0 O B:HOH825 2.1 12.5 1.0 OE1 B:GLU270 2.1 13.5 1.0 O2 B:TLA502 2.2 14.7 1.0 C1 B:TLA502 2.9 17.3 1.0 CG B:ASP216 3.0 12.1 1.0 C2 B:TLA502 3.0 17.0 1.0 CD B:GLU270 3.0 12.2 1.0 CD B:GLU242 3.1 11.9 1.0 OE2 B:GLU270 3.3 14.1 1.0 OD1 B:ASP216 3.4 13.9 1.0 CG B:GLU242 3.8 10.8 1.0 NZ B:LYS179 3.9 10.4 1.0 O3 B:TLA502 3.9 17.8 1.0 O B:HOH871 4.0 15.7 1.0 OE1 B:GLU242 4.0 9.8 1.0 C3 B:TLA502 4.1 17.1 1.0 O11 B:TLA502 4.1 14.8 1.0 O B:HOH822 4.2 11.1 1.0 OE1 B:GLU243 4.3 14.0 1.0 CB B:ASP216 4.4 11.8 1.0 CG B:GLU270 4.4 12.4 1.0 CD2 B:HIS320 4.4 19.9 1.0 CE B:LYS179 4.5 10.8 1.0 CB B:GLU242 4.9 9.4 1.0

A.A.Fedorov, E.V.Fedorov, J.M.Sauder, S.K.Burley, J.A.Gerlt, S.C.Almo. Crystal Structure of L-Rhamnonate Dehydratase From Azotobacter Vinelandii Complexed with Mg and L-Tartrate To Be Published.