Magnesium in PDB 3u2q: Ef-Tu (Escherichia Coli) in Complex with Nvp-LFF571

The structure of Ef-Tu (Escherichia Coli) in Complex with Nvp-LFF571, PDB code: 3u2q was solved by D.J.Palestrant, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.02 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.303, 132.473, 37.433, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Ef-Tu (Escherichia Coli) in Complex with Nvp-LFF571 (pdb code 3u2q). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Ef-Tu (Escherichia Coli) in Complex with Nvp-LFF571, PDB code: 3u2q:

Magnesium binding site 1 out of 1 in the Ef-Tu (Escherichia Coli) in Complex with Nvp-LFF571


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 Nvp-LFF571 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:42.6 occ:1.00 O A:HOH433 2.4 37.2 1.0 OG1 A:THR25 2.5 61.0 1.0 O2B A:GDP501 2.5 93.0 1.0 O A:HOH405 2.6 22.2 1.0 O2A A:GDP501 2.7 89.0 1.0 O1B A:GDP501 2.7 92.5 1.0 PB A:GDP501 3.0 92.2 1.0 CB A:THR25 3.2 61.2 1.0 OD1 A:ASP50 3.2 0.3 1.0 O3A A:GDP501 3.3 91.2 1.0 PA A:GDP501 3.5 90.1 1.0 N A:THR25 4.0 61.2 1.0 O1A A:GDP501 4.1 90.7 1.0 CA A:THR25 4.2 61.4 1.0 CG2 A:THR25 4.3 59.9 1.0 O A:PRO82 4.3 58.5 1.0 CG A:ASP50 4.4 0.3 1.0 O3B A:GDP501 4.4 92.4 1.0 O A:HOH406 4.5 52.0 1.0 OD2 A:ASP21 4.6 73.3 1.0 O A:CYS81 4.7 58.4 1.0 CA A:PRO82 4.7 58.9 1.0 NZ A:LYS24 4.8 56.2 1.0 OD1 A:ASP80 4.8 58.3 1.0 O5' A:GDP501 4.9 90.8 1.0 C A:PRO82 5.0 58.4 1.0

M.J.Lamarche, J.A.Leeds, A.Amaral, J.T.Brewer, S.M.Bushell, G.Deng, J.M.Dewhurst, J.Ding, J.Dzink-Fox, G.Gamber, A.Jain, K.Lee, L.Lee, T.Lister, D.Mckenney, S.Mullin, C.Osborne, D.Palestrant, M.A.Patane, E.M.Rann, M.Sachdeva, J.Shao, S.Tiamfook, A.Trzasko, L.Whitehead, A.Yifru, D.Yu, W.Yan, Q.Zhu. Discovery of LFF571: An Investigational Agent For Clostridium Difficile Infection. J.Med.Chem. V. 55 2376 2012.
ISSN: ISSN 0022-2623
PubMed: 22315981
DOI: 10.1021/JM201685H