Magnesium in PDB 3box: Crystal Structure of L-Rhamnonate Dehydratase From Salmonella Typhimurium Complexed with Mg

The structure of Crystal Structure of L-Rhamnonate Dehydratase From Salmonella Typhimurium Complexed with Mg, PDB code: 3box 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)	24.83 / 1.80
Space group	F 4 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	271.956, 271.956, 271.956, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22.4

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

Magnesium binding site 1 out of 2 in the Crystal Structure of L-Rhamnonate Dehydratase From Salmonella Typhimurium Complexed with Mg


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 Salmonella Typhimurium Complexed with Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:28.7 occ:1.00 OE1 A:GLU280 2.1 31.3 1.0 OE2 A:GLU252 2.2 26.3 1.0 OD2 A:ASP226 2.2 26.2 1.0 O A:HOH539 2.4 29.8 1.0 O A:HOH584 2.6 27.2 1.0 O A:HOH698 2.7 33.9 1.0 CD A:GLU280 3.1 30.7 1.0 CG A:ASP226 3.3 26.2 1.0 CD A:GLU252 3.3 25.8 1.0 OE2 A:GLU280 3.4 33.4 1.0 OD1 A:ASP226 3.6 26.3 1.0 NZ A:LYS189 3.8 25.7 1.0 CD2 A:HIS329 3.9 26.5 1.0 CG A:GLU252 3.9 23.9 1.0 O A:HOH570 4.0 26.3 1.0 O A:HOH515 4.2 23.9 1.0 OE1 A:GLU252 4.2 25.0 1.0 CG A:GLU280 4.4 27.8 1.0 NE2 A:HIS329 4.6 26.4 1.0 CE A:LYS189 4.6 24.7 1.0 CB A:ASP226 4.6 26.1 1.0 OE1 A:GLU253 4.6 26.3 1.0 O A:HOH697 4.9 37.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of L-Rhamnonate Dehydratase From Salmonella Typhimurium Complexed with Mg


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 Salmonella Typhimurium Complexed with Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:23.7 occ:1.00 OD2 B:ASP226 2.1 21.3 1.0 OE1 B:GLU280 2.2 29.3 1.0 OE2 B:GLU252 2.2 22.8 1.0 O B:HOH583 2.5 21.0 1.0 O B:HOH658 2.5 26.7 1.0 O B:HOH723 2.7 37.1 1.0 CD B:GLU280 3.1 29.8 1.0 CG B:ASP226 3.1 21.0 1.0 CD B:GLU252 3.3 20.0 1.0 OE2 B:GLU280 3.4 29.1 1.0 OD1 B:ASP226 3.5 21.5 1.0 NZ B:LYS189 3.8 17.4 1.0 O B:HOH597 3.9 27.9 1.0 CD2 B:HIS329 4.1 29.7 1.0 CG B:GLU252 4.1 19.6 1.0 OE1 B:GLU252 4.2 17.7 1.0 O B:HOH550 4.4 19.0 1.0 CB B:ASP226 4.4 17.1 1.0 CE B:LYS189 4.4 15.5 1.0 CG B:GLU280 4.4 24.3 1.0 OE1 B:GLU253 4.6 20.2 1.0 NE2 B:HIS329 4.7 30.8 1.0

J.F.Rakus, A.A.Fedorov, E.V.Fedorov, M.E.Glasner, B.K.Hubbard, J.D.Delli, P.C.Babbitt, S.C.Almo, J.A.Gerlt. Evolution of Enzymatic Activities in the Enolase Superfamily: L-Rhamnonate Dehydratase. Biochemistry V. 47 9944 2008.
ISSN: ISSN 0006-2960
PubMed: 18754693
DOI: 10.1021/BI800914R