Magnesium in PDB 5odo: Crystal Structure of the Oleate Hydratase of Rhodococcus Erythropolis

The structure of Crystal Structure of the Oleate Hydratase of Rhodococcus Erythropolis, PDB code: 5odo was solved by R.Driller, J.Lorenzen, A.Waldow, F.Qoura, T.Brueck, B.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.47 / 2.64
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	261.747, 261.747, 127.304, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22

The binding sites of Magnesium atom in the Crystal Structure of the Oleate Hydratase of Rhodococcus Erythropolis (pdb code 5odo). 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 Oleate Hydratase of Rhodococcus Erythropolis, PDB code: 5odo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Oleate Hydratase of Rhodococcus Erythropolis


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 Oleate Hydratase of Rhodococcus Erythropolis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg610 b:31.6 occ:1.00 O A:HOH790 2.2 32.5 1.0 O A:HOH780 2.2 42.4 1.0 O A:HOH899 2.2 33.9 1.0 O A:HOH718 2.2 32.8 1.0 O A:HOH730 2.2 32.0 1.0 O A:HOH818 2.2 36.9 1.0 OD2 A:ASP111 3.8 29.7 1.0 O A:HOH863 3.9 31.6 1.0 OE1 A:GLU80 4.0 32.4 1.0 OG1 A:THR223 4.1 27.9 1.0 OE2 A:GLU81 4.1 35.3 1.0 O A:GLY221 4.2 35.9 1.0 O A:ALA220 4.2 31.5 1.0 OE1 A:GLU81 4.6 44.4 1.0 CB A:GLU80 4.6 32.8 1.0 C A:GLY221 4.7 36.0 1.0 O A:VAL222 4.7 33.2 1.0 CA A:GLY221 4.7 34.8 1.0 CD A:GLU81 4.8 42.3 1.0 O A:HOH796 4.8 30.7 1.0 CD A:GLU80 4.9 39.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Oleate Hydratase of Rhodococcus Erythropolis


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 Oleate Hydratase of Rhodococcus Erythropolis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg608 b:32.5 occ:1.00 O B:HOH736 2.2 32.2 1.0 O B:HOH755 2.2 43.1 1.0 O B:HOH717 2.2 32.8 1.0 O B:HOH773 2.2 31.8 1.0 O B:HOH760 2.2 43.9 1.0 O B:HOH882 2.2 34.9 1.0 OD2 B:ASP111 3.9 32.2 1.0 O B:HOH839 4.0 36.1 1.0 OG1 B:THR223 4.0 36.1 1.0 OE2 B:GLU81 4.1 48.6 1.0 OE2 B:GLU80 4.1 42.6 1.0 O B:GLY221 4.2 36.1 1.0 O B:ALA220 4.2 34.3 1.0 OE1 B:GLU81 4.5 42.5 1.0 O B:HOH801 4.6 38.8 1.0 O B:VAL222 4.6 35.9 1.0 CB B:GLU80 4.6 44.3 1.0 C B:GLY221 4.7 34.2 1.0 CD B:GLU81 4.7 40.1 1.0 CA B:GLY221 4.7 30.1 1.0 CD B:GLU80 4.9 50.4 1.0

J.Lorenzen, R.Driller, A.Waldow, F.Quora, B.Loll, T.Brueck. Rhodococcus Erythropolis Oleate Hydratase: A New Member in the Oleate Hydratase Family Tree - Biochemical and Structural Studies. Chemcatchem 2017.
ISSN: ESSN 1867-3899
DOI: 10.1002/CCTC.201701350R1