Magnesium in PDB 3ss8: Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+

The structure of Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+, PDB code: 3ss8 was solved by M.R.Ash, M.J.Maher, J.M.Guss, M.Jormakka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.346, 75.401, 156.494, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 25.2

The structure of Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+ also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Aluminium	(Al)	2 atoms
Potassium	(K)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+ (pdb code 3ss8). 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 Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+, PDB code: 3ss8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+


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 Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:17.2 occ:1.00 F4 A:ALF303 1.8 25.6 1.0 O3B A:GDP300 1.9 18.6 1.0 O A:HOH271 2.0 26.2 1.0 OG1 A:THR15 2.0 19.2 1.0 OG1 A:THR35 2.2 20.0 1.0 O A:HOH272 2.2 7.2 1.0 PB A:GDP300 3.1 18.5 1.0 CB A:THR35 3.2 21.1 1.0 O2B A:GDP300 3.2 16.6 1.0 CB A:THR15 3.3 19.4 1.0 AL A:ALF303 3.4 24.6 1.0 N A:THR15 3.7 19.3 1.0 F2 A:ALF303 3.8 24.0 1.0 F1 A:ALF303 3.9 23.7 1.0 OD2 A:ASP53 4.0 27.4 1.0 O1B A:GDP300 4.0 19.8 1.0 CA A:THR15 4.1 19.4 1.0 CG2 A:THR35 4.1 20.3 1.0 OD1 A:ASP53 4.2 26.1 1.0 O2A A:GDP300 4.2 19.4 1.0 N A:THR35 4.2 20.9 1.0 O3A A:GDP300 4.3 19.5 1.0 CA A:THR35 4.3 21.0 1.0 CG2 A:THR15 4.4 18.8 1.0 O1A A:GDP300 4.4 19.4 1.0 O A:HOH273 4.4 12.0 1.0 CB A:LYS14 4.5 19.4 1.0 PA A:GDP300 4.5 19.3 1.0 CG A:ASP53 4.5 26.7 1.0 O A:HOH274 4.5 11.8 1.0 CE A:LYS14 4.7 17.4 1.0 O A:LEU54 4.7 24.8 1.0 C A:LYS14 4.7 19.4 1.0 O A:ARG27 4.7 22.7 1.0 NZ A:LYS14 4.9 16.6 1.0 K A:K301 4.9 20.8 1.0 CA A:LYS14 5.0 19.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+


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 Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:19.8 occ:1.00 F1 B:ALF303 1.8 21.7 1.0 O B:HOH271 1.9 11.7 1.0 O3B B:GDP300 2.1 17.2 1.0 OG1 B:THR35 2.1 21.7 1.0 OG1 B:THR15 2.1 19.1 1.0 O B:HOH272 2.3 13.7 1.0 CB B:THR35 3.1 21.9 1.0 O2B B:GDP300 3.3 14.6 1.0 PB B:GDP300 3.3 15.5 1.0 CB B:THR15 3.4 19.5 1.0 AL B:ALF303 3.4 19.9 1.0 F4 B:ALF303 3.8 20.2 1.0 N B:THR15 3.9 19.2 1.0 F3 B:ALF303 3.9 19.7 1.0 CG2 B:THR35 4.1 21.1 1.0 OD2 B:ASP53 4.1 23.5 1.0 N B:THR35 4.2 22.1 1.0 CA B:THR15 4.2 19.6 1.0 O1B B:GDP300 4.2 17.1 1.0 OD1 B:ASP53 4.2 23.1 1.0 O2A B:GDP300 4.2 15.0 1.0 CA B:THR35 4.2 21.8 1.0 O B:HOH274 4.3 14.4 1.0 O B:HOH273 4.3 21.2 1.0 O3A B:GDP300 4.4 16.7 1.0 O1A B:GDP300 4.4 17.7 1.0 CG2 B:THR15 4.4 19.4 1.0 O B:LEU54 4.6 22.2 1.0 CE B:LYS14 4.6 17.4 1.0 CB B:LYS14 4.6 19.0 1.0 PA B:GDP300 4.6 16.3 1.0 CG B:ASP53 4.6 23.6 1.0 O B:ARG27 4.7 22.2 1.0 NZ B:LYS14 4.8 17.3 1.0 C B:LYS14 4.9 19.0 1.0 K B:K301 5.0 23.4 1.0

M.R.Ash, M.J.Maher, J.M.Guss, M.Jormakka. The Initiation of Gtp Hydrolysis By the G-Domain of Feob: Insights From A Transition-State Complex Structure Plos One V. 6 23355 2011.
ISSN: ESSN 1932-6203
PubMed: 21858085
DOI: 10.1371/JOURNAL.PONE.0023355