Aluminium in PDB 2gj8: Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+

The structure of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+, PDB code: 2gj8 was solved by A.Scrima, A.Wittinghofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.540, 70.227, 91.300, 90.00, 95.51, 90.00
R / Rfree (%)	20.5 / 25.6

The structure of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ also contains other interesting chemical elements:

Fluorine	(F)	16 atoms
Magnesium	(Mg)	4 atoms
Potassium	(K)	4 atoms

The binding sites of Aluminium atom in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ (pdb code 2gj8). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 4 binding sites of Aluminium where determined in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+, PDB code: 2gj8:
Jump to Aluminium binding site number: 1; 2; 3; 4;

Aluminium binding site 1 out of 4 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Al601 b:13.0 occ:1.00 AL A:ALF601 0.0 13.0 1.0 F4 A:ALF601 1.8 13.2 1.0 F3 A:ALF601 1.8 12.5 1.0 F2 A:ALF601 1.8 12.0 1.0 F1 A:ALF601 1.8 10.5 1.0 O2B A:GDP650 2.0 9.0 1.0 O A:HOH652 2.1 11.4 1.0 PB A:GDP650 3.2 9.8 1.0 MG A:MG602 3.5 11.7 1.0 O3B A:GDP650 3.6 7.0 1.0 K A:K603 3.7 10.8 1.0 N A:GLY249 3.8 10.5 1.0 O1B A:GDP650 3.9 10.1 1.0 N A:ASN226 4.0 10.7 1.0 N A:THR250 4.0 10.7 1.0 N A:THR251 4.1 11.7 1.0 O A:HOH654 4.1 10.5 1.0 NZ A:LYS229 4.2 11.3 1.0 N A:GLY273 4.2 11.5 1.0 O A:HOH651 4.2 11.7 1.0 CA A:PRO225 4.3 10.3 1.0 O A:HOH655 4.3 11.0 1.0 CA A:GLY249 4.4 10.9 1.0 O3A A:GDP650 4.5 7.9 1.0 OG1 A:THR251 4.5 9.8 1.0 CB A:THR251 4.6 11.9 1.0 CA A:GLY273 4.6 13.6 1.0 C A:GLY249 4.6 12.3 1.0 O A:THR251 4.7 14.1 1.0 CB A:PRO225 4.7 10.8 1.0 C A:PRO225 4.7 10.3 1.0 CB A:THR250 4.7 10.9 1.0 CA A:THR250 4.8 11.7 1.0 O A:ILE247 4.9 10.8 1.0 CA A:ASN226 4.9 10.6 1.0 C A:ALA248 4.9 11.8 1.0 CA A:THR251 4.9 12.4 1.0 O2A A:GDP650 4.9 11.1 1.0 C A:THR250 4.9 11.4 1.0 OD1 A:ASN226 4.9 11.7 1.0 CE A:LYS229 5.0 11.7 1.0

Aluminium binding site 2 out of 4 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Al611 b:15.1 occ:1.00 AL B:ALF611 0.0 15.1 1.0 F1 B:ALF611 1.7 17.0 1.0 F2 B:ALF611 1.8 14.9 1.0 F3 B:ALF611 1.8 15.2 1.0 F4 B:ALF611 1.8 16.2 1.0 O2B B:GDP651 2.0 14.7 1.0 O B:HOH653 2.1 9.9 1.0 PB B:GDP651 3.2 17.3 1.0 MG B:MG612 3.3 17.1 1.0 K B:K613 3.6 16.5 1.0 O3B B:GDP651 3.6 13.7 1.0 N B:GLY249 3.9 13.3 1.0 N B:ASN226 4.0 14.6 1.0 O1B B:GDP651 4.0 17.5 1.0 N B:THR250 4.0 14.1 1.0 O B:HOH655 4.0 11.8 1.0 N B:THR251 4.0 13.5 1.0 N B:GLY273 4.2 12.6 1.0 NZ B:LYS229 4.2 14.8 1.0 O B:HOH652 4.2 15.7 1.0 O B:HOH654 4.2 13.6 1.0 CA B:PRO225 4.3 14.1 1.0 O3A B:GDP651 4.4 16.3 1.0 CA B:GLY249 4.4 13.9 1.0 OG1 B:THR251 4.5 12.9 1.0 CB B:THR251 4.5 13.7 1.0 CA B:GLY273 4.6 12.9 1.0 CB B:THR250 4.6 14.5 1.0 C B:GLY249 4.7 14.6 1.0 O B:THR251 4.7 11.5 1.0 C B:PRO225 4.7 15.2 1.0 CA B:THR250 4.7 14.7 1.0 CB B:PRO225 4.8 14.4 1.0 CA B:THR251 4.8 13.1 1.0 O B:ILE247 4.9 17.5 1.0 C B:THR250 4.9 14.4 1.0 CA B:ASN226 4.9 16.0 1.0 C B:ALA248 4.9 14.2 1.0 O2A B:GDP651 4.9 18.3 1.0 OD1 B:ASN226 4.9 16.7 1.0 CA B:ALA248 5.0 15.6 1.0

Aluminium binding site 3 out of 4 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Al621 b:11.4 occ:1.00 AL C:ALF621 0.0 11.4 1.0 F4 C:ALF621 1.8 12.7 1.0 F1 C:ALF621 1.8 11.7 1.0 F3 C:ALF621 1.8 10.6 1.0 F2 C:ALF621 1.8 11.0 1.0 O3B C:GDP652 1.9 15.8 1.0 O C:HOH656 2.0 10.3 1.0 PB C:GDP652 3.2 11.0 1.0 MG C:MG622 3.6 9.9 1.0 K C:K623 3.6 11.8 1.0 O1B C:GDP652 3.7 9.2 1.0 N C:GLY249 3.8 11.8 1.0 N C:ASN226 3.9 11.7 1.0 O2B C:GDP652 4.0 11.3 1.0 N C:THR250 4.1 12.9 1.0 O C:HOH654 4.1 10.6 1.0 N C:THR251 4.1 11.3 1.0 N C:GLY273 4.2 11.4 1.0 NZ C:LYS229 4.2 7.8 1.0 CA C:PRO225 4.2 13.1 1.0 O C:HOH657 4.2 13.0 1.0 O C:HOH653 4.3 11.7 1.0 O3A C:GDP652 4.4 10.4 1.0 CA C:GLY249 4.4 12.3 1.0 OG1 C:THR251 4.5 9.7 1.0 CB C:PRO225 4.6 12.5 1.0 CA C:GLY273 4.6 13.2 1.0 CB C:THR251 4.6 11.4 1.0 C C:PRO225 4.6 12.5 1.0 O C:THR251 4.7 12.0 1.0 C C:GLY249 4.7 12.4 1.0 CB C:THR250 4.7 12.0 1.0 CA C:THR250 4.8 11.9 1.0 O C:ILE247 4.8 13.5 1.0 C C:ALA248 4.8 12.7 1.0 CA C:THR251 4.9 11.1 1.0 CA C:ASN226 4.9 11.6 1.0 CA C:ALA248 4.9 13.0 1.0 OD1 C:ASN226 5.0 13.1 1.0 C C:THR250 5.0 12.2 1.0 O2A C:GDP652 5.0 11.6 1.0

Aluminium binding site 4 out of 4 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 4 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Al631 b:13.6 occ:1.00 AL D:ALF631 0.0 13.6 1.0 F2 D:ALF631 1.8 13.1 1.0 F4 D:ALF631 1.8 14.0 1.0 F1 D:ALF631 1.8 13.1 1.0 F3 D:ALF631 1.8 12.4 1.0 O2B D:GDP653 1.9 12.4 1.0 O D:HOH656 2.1 11.1 1.0 PB D:GDP653 3.2 12.3 1.0 K D:K633 3.6 13.5 1.0 MG D:MG632 3.6 13.0 1.0 O3B D:GDP653 3.7 12.0 1.0 N D:GLY249 3.9 12.7 1.0 O1B D:GDP653 3.9 13.2 1.0 N D:ASN226 3.9 14.0 1.0 O D:HOH658 4.1 11.6 1.0 N D:THR250 4.1 11.4 1.0 N D:THR251 4.2 12.2 1.0 NZ D:LYS229 4.2 13.9 1.0 N D:GLY273 4.2 13.5 1.0 CA D:PRO225 4.2 14.5 1.0 O D:HOH657 4.3 14.5 1.0 O D:HOH655 4.3 13.7 1.0 O3A D:GDP653 4.4 13.1 1.0 CA D:GLY249 4.4 13.0 1.0 OG1 D:THR251 4.5 8.5 1.0 CB D:THR251 4.6 11.8 1.0 C D:PRO225 4.6 14.7 1.0 CB D:PRO225 4.6 13.3 1.0 C D:GLY249 4.7 11.8 1.0 CA D:GLY273 4.7 13.7 1.0 CB D:THR250 4.7 11.3 1.0 O D:THR251 4.7 11.7 1.0 O D:ILE247 4.7 14.5 1.0 CA D:THR250 4.8 11.6 1.0 CA D:ASN226 4.9 14.6 1.0 C D:ALA248 4.9 13.2 1.0 CA D:THR251 4.9 12.0 1.0 CA D:ALA248 4.9 13.9 1.0 OD1 D:ASN226 5.0 15.7 1.0 O2A D:GDP653 5.0 12.6 1.0

A.Scrima, A.Wittinghofer. Dimerisation-Dependent Gtpase Reaction of Mnme: How Potassium Acts As Gtpase-Activating Element. Embo J. V. 25 2940 2006.
ISSN: ISSN 0261-4189
PubMed: 16763562
DOI: 10.1038/SJ.EMBOJ.7601171