Magnesium in PDB 3u6b: Ef-Tu (Escherichia Coli) in Complex with Nvp-LDI028

The structure of Ef-Tu (Escherichia Coli) in Complex with Nvp-LDI028, PDB code: 3u6b 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)	8.00 / 2.12
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.246, 100.376, 156.483, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.7

The binding sites of Magnesium atom in the Ef-Tu (Escherichia Coli) in Complex with Nvp-LDI028 (pdb code 3u6b). 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 Nvp-LDI028, PDB code: 3u6b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ef-Tu (Escherichia Coli) in Complex with Nvp-LDI028


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-LDI028 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:25.7 occ:1.00 O2B A:GDP402 2.0 22.9 1.0 O A:HOH514 2.0 25.5 1.0 O A:HOH503 2.0 19.7 1.0 OG1 A:THR25 2.1 21.8 1.0 O A:HOH517 2.2 32.0 1.0 O A:HOH531 2.2 24.5 1.0 PB A:GDP402 3.2 21.6 1.0 CB A:THR25 3.3 17.8 1.0 O1B A:GDP402 3.4 26.6 1.0 N A:THR25 3.8 18.6 1.0 CA A:THR25 4.1 17.2 1.0 OD2 A:ASP80 4.2 25.4 1.0 O3B A:GDP402 4.2 23.0 1.0 O3A A:GDP402 4.2 23.2 1.0 O2A A:GDP402 4.2 25.9 1.0 OD1 A:ASP80 4.2 29.6 1.0 O A:CYS81 4.3 32.1 1.0 O A:PRO82 4.3 38.4 1.0 CG2 A:THR25 4.4 14.4 1.0 O A:HOH532 4.4 35.4 1.0 PA A:GDP402 4.5 24.0 1.0 CB A:LYS24 4.6 23.0 1.0 CG A:ASP80 4.6 30.3 1.0 O1A A:GDP402 4.6 22.7 1.0 CA A:PRO82 4.7 30.7 1.0 C A:LYS24 4.8 22.9 1.0 CE A:LYS24 4.9 19.0 1.0 C A:PRO82 5.0 36.4 1.0

Magnesium binding site 2 out of 2 in the Ef-Tu (Escherichia Coli) in Complex with Nvp-LDI028


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 Nvp-LDI028 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:23.0 occ:1.00 OG1 B:THR25 2.0 20.9 1.0 O B:HOH512 2.0 19.5 1.0 O B:HOH505 2.0 21.0 1.0 O2B B:GDP401 2.1 18.0 1.0 O B:HOH516 2.1 21.5 1.0 O B:HOH514 2.2 29.4 1.0 CB B:THR25 3.1 19.3 1.0 PB B:GDP401 3.3 21.1 1.0 O1B B:GDP401 3.5 24.2 1.0 N B:THR25 3.8 16.2 1.0 CA B:THR25 4.0 15.3 1.0 O2A B:GDP401 4.1 25.0 1.0 OD2 B:ASP80 4.2 40.2 1.0 O B:CYS81 4.2 31.3 1.0 CG2 B:THR25 4.2 19.6 1.0 O3A B:GDP401 4.3 20.5 1.0 OD1 B:ASP80 4.3 29.2 1.0 O3B B:GDP401 4.3 23.7 1.0 O B:HOH545 4.4 40.4 1.0 O B:PRO82 4.5 33.4 1.0 CA B:PRO82 4.6 30.7 1.0 PA B:GDP401 4.6 19.5 1.0 CB B:LYS24 4.6 15.8 1.0 CG B:ASP80 4.7 34.0 1.0 O1A B:GDP401 4.8 18.5 1.0 C B:LYS24 4.8 20.8 1.0 CE B:LYS24 4.9 23.9 1.0 C B:CYS81 5.0 32.9 1.0

M.J.Lamarche, J.A.Leeds, K.Amaral, J.T.Brewer, S.M.Bushell, J.M.Dewhurst, J.Dzink-Fox, E.Gangl, J.Goldovitz, A.Jain, S.Mullin, G.Neckermann, C.Osborne, D.Palestrant, M.A.Patane, E.M.Rann, M.Sachdeva, J.Shao, S.Tiamfook, L.Whitehead, D.Yu. Antibacterial Optimization of 4-Aminothiazolyl Analogues of the Natural Product GE2270 A: Identification of the Cycloalkylcarboxylic Acids. J.Med.Chem. V. 54 8099 2011.
ISSN: ISSN 0022-2623
PubMed: 21999529
DOI: 10.1021/JM200938F