Magnesium in PDB 5jbq: Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog

The structure of Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog, PDB code: 5jbq was solved by D.Palestrant, T.Stams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.69 / 2.01
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.350, 125.340, 45.400, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.3

The binding sites of Magnesium atom in the Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog (pdb code 5jbq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog, PDB code: 5jbq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:58.8 occ:0.50 O A:HOH554 2.1 34.2 1.0 O A:HOH636 2.2 43.9 1.0 O A:HOH510 2.4 46.3 1.0 OE1 A:GLU152 4.0 27.5 1.0 O A:PRO111 4.1 27.0 1.0 OE2 A:GLU152 4.1 39.4 1.0 CD A:GLU152 4.4 47.2 1.0 O A:ASP109 4.4 25.0 1.0 CD A:PRO111 4.8 21.5 1.0 N A:PRO111 4.9 20.2 1.0

Magnesium binding site 2 out of 2 in the Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ef-Tu (Escherichia Coli) in Complex with Thiomuracin Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:26.0 occ:1.00 OG1 A:THR25 2.1 13.8 1.0 O2B A:GDP401 2.2 18.5 1.0 CB A:THR25 3.3 18.6 1.0 PB A:GDP401 3.3 19.9 1.0 O1B A:GDP401 3.4 18.0 1.0 N A:THR25 3.9 14.5 1.0 O A:CYS81 4.0 18.6 1.0 OD2 A:ASP80 4.0 14.2 1.0 OD1 A:ASP50 4.1 19.6 1.0 CA A:THR25 4.2 14.2 1.0 O1A A:GDP401 4.2 18.0 1.0 O A:HOH601 4.2 12.6 1.0 CG2 A:THR25 4.3 18.5 1.0 O3B A:GDP401 4.3 20.1 1.0 O3A A:GDP401 4.4 20.0 1.0 CA A:PRO82 4.4 15.5 1.0 O A:PRO82 4.4 19.0 1.0 O A:HOH578 4.6 28.2 1.0 OD1 A:ASP80 4.6 16.2 1.0 C A:CYS81 4.6 18.4 1.0 CG A:ASP80 4.7 17.3 1.0 PA A:GDP401 4.7 20.3 1.0 CB A:LYS24 4.9 16.2 1.0 N A:PRO82 4.9 16.1 1.0 O2A A:GDP401 4.9 19.9 1.0 C A:PRO82 4.9 19.7 1.0 CE A:LYS24 4.9 27.2 1.0 C A:LYS24 5.0 16.1 1.0

M.J.Lamarche, J.A.Leeds, J.Brewer, K.Dean, J.Ding, J.Dzink-Fox, G.Gamber, A.Jain, R.Kerrigan, P.Krastel, K.Lee, F.Lombardo, D.Mckenney, G.Neckermann, C.Osborne, D.Palestrant, M.A.Patane, E.M.Rann, Z.Robinson, E.Schmitt, T.Stams, S.Tiamfook, D.Yu, L.Whitehead. Antibacterial and Solubility Optimization of Thiomuracin A. J.Med.Chem. V. 59 6920 2016.
ISSN: ISSN 0022-2623
PubMed: 27355833
DOI: 10.1021/ACS.JMEDCHEM.6B00726