Magnesium in PDB 3es7: Crystal Structure of Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate.

The structure of Crystal Structure of Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate., PDB code: 3es7 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)	24.86 / 1.90
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	121.162, 121.162, 122.121, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 25.9

The binding sites of Magnesium atom in the Crystal Structure of Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate. (pdb code 3es7). 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 Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate., PDB code: 3es7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate.


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 Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg393 b:19.5 occ:1.00 OD1 A:ASP42 2.1 31.7 1.0 OG1 A:THR297 2.2 27.2 1.0 NE2 A:HIS45 2.3 28.0 1.0 O2 A:LMR392 2.3 30.4 1.0 O A:THR297 2.3 29.6 1.0 O1B A:LMR392 2.4 32.4 1.0 C1 A:LMR392 3.1 32.7 1.0 C A:THR297 3.1 29.9 1.0 CE1 A:HIS45 3.2 29.6 1.0 CG A:ASP42 3.2 30.8 1.0 C2 A:LMR392 3.2 33.1 1.0 CB A:THR297 3.2 27.3 1.0 CA A:THR297 3.3 28.4 1.0 CD2 A:HIS45 3.3 27.6 1.0 CB A:ASP42 3.6 30.1 1.0 NH2 A:ARG385 3.9 32.6 1.0 CG2 A:THR297 4.0 27.0 1.0 NH2 A:ARG15 4.0 31.8 1.0 O1A A:LMR392 4.2 31.6 1.0 OD2 A:ASP42 4.2 28.3 1.0 O A:HOH421 4.2 27.4 1.0 NE A:ARG385 4.3 32.0 1.0 C3 A:LMR392 4.3 36.2 1.0 ND1 A:HIS45 4.3 29.1 1.0 CZ A:ARG385 4.4 32.5 1.0 CG A:HIS45 4.4 27.0 1.0 N A:GLN298 4.4 29.5 1.0 N A:THR297 4.7 29.4 1.0 O4A A:LMR392 4.8 40.8 1.0 O A:ASP42 4.9 30.0 1.0 CB A:GLN298 4.9 31.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate.


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 Divergent Enolase From Oceanobacillus Iheyensis Complexed with Mg and L-Malate. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg393 b:20.7 occ:1.00 OG1 B:THR297 2.1 31.4 1.0 OD1 B:ASP42 2.1 31.0 1.0 O2 B:LMR392 2.2 34.9 1.0 NE2 B:HIS45 2.2 29.6 1.0 O B:THR297 2.4 32.2 1.0 O1B B:LMR392 2.5 38.5 1.0 C1 B:LMR392 3.1 38.7 1.0 CG B:ASP42 3.1 31.2 1.0 C2 B:LMR392 3.1 38.6 1.0 CE1 B:HIS45 3.2 29.5 1.0 C B:THR297 3.2 32.0 1.0 CB B:THR297 3.2 31.2 1.0 CD2 B:HIS45 3.3 27.5 1.0 CA B:THR297 3.3 30.6 1.0 CB B:ASP42 3.5 32.2 1.0 NH2 B:ARG385 3.9 38.3 1.0 CG2 B:THR297 4.0 31.1 1.0 NH2 B:ARG15 4.1 36.3 1.0 OD2 B:ASP42 4.2 30.1 1.0 C3 B:LMR392 4.2 39.3 1.0 O1A B:LMR392 4.2 37.8 1.0 O B:HOH455 4.3 30.2 1.0 ND1 B:HIS45 4.3 29.3 1.0 NE B:ARG385 4.3 38.8 1.0 CG B:HIS45 4.4 27.9 1.0 CZ B:ARG385 4.4 39.5 1.0 N B:GLN298 4.5 31.9 1.0 N B:THR297 4.7 31.4 1.0 O B:ASP42 4.9 30.2 1.0 O4A B:LMR392 4.9 42.4 1.0 CZ B:PHE271 5.0 31.2 1.0 CB B:GLN298 5.0 33.5 1.0

J.F.Rakus, C.Kalyanaraman, A.A.Fedorov, E.V.Fedorov, F.P.Mills-Groninger, R.Toro, J.Bonanno, K.Bain, J.M.Sauder, S.K.Burley, S.C.Almo, M.P.Jacobson, J.A.Gerlt. Computation-Facilitated Assignment of the Function in the Enolase Superfamily: A Regiochemically Distinct Galactarate Dehydratase From Oceanobacillus Iheyensis . Biochemistry V. 48 11546 2009.
ISSN: ISSN 0006-2960
PubMed: 19883118
DOI: 10.1021/BI901731C