Magnesium in PDB 6oz5: Escherichia Coli Trna Synthetase in Complex with Compound 3

All present enzymatic activity of Escherichia Coli Trna Synthetase in Complex with Compound 3:
6.1.1.20;

The structure of Escherichia Coli Trna Synthetase in Complex with Compound 3, PDB code: 6oz5 was solved by D.Kahne, V.Baidin, T.W.Owens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.23 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.775, 174.508, 252.548, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.5

The binding sites of Magnesium atom in the Escherichia Coli Trna Synthetase in Complex with Compound 3 (pdb code 6oz5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Escherichia Coli Trna Synthetase in Complex with Compound 3, PDB code: 6oz5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Escherichia Coli Trna Synthetase in Complex with Compound 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Escherichia Coli Trna Synthetase in Complex with Compound 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:46.0 occ:1.00 O B:HOH917 2.0 35.1 1.0 OE2 A:GLU252 2.1 49.7 1.0 O A:HOH508 2.1 45.6 1.0 OE1 B:GLU463 2.1 55.4 1.0 O B:HOH912 2.1 36.0 1.0 O B:HOH919 2.3 43.4 1.0 CD A:GLU252 3.0 52.9 1.0 CD B:GLU463 3.0 48.9 1.0 OE1 A:GLU252 3.2 48.8 1.0 OE2 B:GLU463 3.7 49.8 1.0 CG B:GLU463 4.0 47.5 1.0 OD2 B:ASP454 4.1 42.9 1.0 CB B:GLU463 4.1 52.5 1.0 OD1 B:ASP460 4.2 49.9 1.0 ND2 B:ASN165 4.2 38.4 1.0 O B:HOH936 4.2 36.2 1.0 CG A:GLU252 4.4 42.1 1.0 OE2 B:GLU464 4.4 51.2 1.0 O B:ASP454 4.5 41.4 1.0 CA B:ASP460 4.6 46.0 1.0 O B:ASP460 4.6 39.6 1.0 CB B:ASP460 4.8 46.1 1.0 CG B:ASP460 4.8 47.6 1.0 CB B:ASP454 4.8 31.4 1.0 CG B:ASP454 4.9 46.0 1.0

Magnesium binding site 2 out of 2 in the Escherichia Coli Trna Synthetase in Complex with Compound 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Escherichia Coli Trna Synthetase in Complex with Compound 3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:44.8 occ:1.00 OE1 D:GLU463 2.0 49.6 1.0 O D:HOH924 2.0 39.6 1.0 O D:HOH953 2.1 45.1 1.0 OE2 C:GLU252 2.1 45.7 1.0 O D:HOH943 2.1 41.9 1.0 O C:HOH519 2.2 34.9 1.0 CD C:GLU252 3.0 49.4 1.0 CD D:GLU463 3.1 51.9 1.0 OE1 C:GLU252 3.1 56.5 1.0 OE2 D:GLU463 3.9 50.6 1.0 CG D:GLU463 4.0 40.6 1.0 OD1 D:ASP460 4.0 49.6 1.0 CB D:GLU463 4.0 36.9 1.0 O D:HOH919 4.2 37.2 1.0 O D:HOH1042 4.2 44.3 1.0 OE2 D:GLU464 4.3 50.3 1.0 OD2 D:ASP454 4.4 41.6 1.0 CG C:GLU252 4.4 46.6 1.0 ND2 D:ASN165 4.4 38.2 1.0 O D:ASP454 4.5 40.3 1.0 O D:ASP460 4.5 45.4 1.0 CA D:ASP460 4.5 43.2 1.0 CG D:ASP460 4.8 41.9 1.0 CB D:ASP460 4.8 41.7 1.0 CB D:ASP454 5.0 31.1 1.0 C D:ASP460 5.0 43.7 1.0

D.Kahne, V.Baidin, T.W.Owens. Escherichia Coli Trna Synthetase in Complex with Compound 3 To Be Published.