Aluminium 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
Magnesium	(Mg)	2 atoms
Potassium	(K)	2 atoms

The binding sites of Aluminium 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 Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+, PDB code: 3ss8:
Jump to Aluminium binding site number: 1; 2;

Aluminium 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 Aluminium with other atoms in the Al 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:Al303 b:24.6 occ:1.00 AL A:ALF303 0.0 24.6 1.0 F1 A:ALF303 1.8 23.7 1.0 F4 A:ALF303 1.8 25.6 1.0 F2 A:ALF303 1.8 24.0 1.0 F3 A:ALF303 1.8 23.7 1.0 O2B A:GDP300 1.9 16.6 1.0 O A:HOH273 1.9 12.0 1.0 PB A:GDP300 3.3 18.5 1.0 MG A:MG302 3.4 17.2 1.0 K A:K301 3.4 20.8 1.0 O3B A:GDP300 3.8 18.6 1.0 N A:GLY33 3.9 21.0 1.0 N A:ASN11 4.0 20.8 1.0 O A:HOH272 4.0 7.2 1.0 O1B A:GDP300 4.0 19.8 1.0 O A:HOH279 4.1 28.1 1.0 N A:VAL34 4.1 20.6 1.0 N A:THR35 4.1 20.9 1.0 N A:GLY56 4.2 25.9 1.0 O A:HOH271 4.3 26.2 1.0 NZ A:LYS14 4.3 16.6 1.0 OG1 A:THR35 4.3 20.0 1.0 CA A:PRO10 4.4 20.5 1.0 CA A:GLY33 4.4 20.8 1.0 O3A A:GDP300 4.4 19.5 1.0 CB A:THR35 4.5 21.1 1.0 O A:THR35 4.6 21.3 1.0 CA A:GLY56 4.7 26.1 1.0 C A:GLY33 4.7 20.9 1.0 CB A:PRO10 4.7 20.5 1.0 C A:PRO10 4.7 20.5 1.0 CA A:THR35 4.8 21.0 1.0 CE A:LYS14 4.8 17.4 1.0 O2A A:GDP300 4.8 19.4 1.0 CA A:ASN11 4.8 21.0 1.0 CA A:VAL34 4.9 20.7 1.0 C A:PRO32 5.0 21.2 1.0 C A:VAL34 5.0 20.8 1.0

Aluminium 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 Aluminium with other atoms in the Al 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:Al303 b:19.9 occ:1.00 AL B:ALF303 0.0 19.9 1.0 F2 B:ALF303 1.8 19.6 1.0 F3 B:ALF303 1.8 19.7 1.0 F1 B:ALF303 1.8 21.7 1.0 F4 B:ALF303 1.8 20.2 1.0 O2B B:GDP300 2.0 14.6 1.0 O B:HOH273 2.1 21.2 1.0 PB B:GDP300 3.4 15.5 1.0 MG B:MG302 3.4 19.8 1.0 K B:K301 3.5 23.4 1.0 O3B B:GDP300 3.8 17.2 1.0 O B:HOH272 3.9 13.7 1.0 N B:GLY33 4.0 23.1 1.0 N B:ASN11 4.0 20.5 1.0 N B:VAL34 4.0 22.3 1.0 O1B B:GDP300 4.1 17.1 1.0 N B:THR35 4.1 22.1 1.0 NZ B:LYS14 4.3 17.3 1.0 O B:HOH271 4.3 11.7 1.0 OG1 B:THR35 4.3 21.7 1.0 N B:GLY56 4.3 22.7 1.0 CA B:PRO10 4.4 19.9 1.0 CB B:THR35 4.4 21.9 1.0 CA B:GLY33 4.5 22.7 1.0 O3A B:GDP300 4.5 16.7 1.0 O B:THR35 4.6 21.9 1.0 O B:HOH296 4.6 33.1 1.0 C B:GLY33 4.7 22.6 1.0 CB B:PRO10 4.7 20.1 1.0 C B:PRO10 4.7 20.2 1.0 CA B:THR35 4.8 21.8 1.0 O2A B:GDP300 4.8 15.0 1.0 CE B:LYS14 4.8 17.4 1.0 CA B:VAL34 4.9 22.1 1.0 CA B:ASN11 4.9 20.9 1.0 CA B:GLY56 4.9 23.0 1.0 C B:PRO32 5.0 23.3 1.0 C B:VAL34 5.0 22.2 1.0 CB B:VAL34 5.0 22.2 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