Aluminium in PDB 2b8w: Crystal-Structure of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4

The structure of Crystal-Structure of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4, PDB code: 2b8w was solved by A.Ghosh, G.J.K.Praefcke, L.Renault, A.Wittinghofer, C.Herrmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.75 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	149.617, 101.927, 54.121, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 23.3

The structure of Crystal-Structure of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4 also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Aluminium atom in the Crystal-Structure of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4 (pdb code 2b8w). 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 the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4, PDB code: 2b8w:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Crystal-Structure of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4


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 the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Al594 b:25.6 occ:1.00 AL A:ALF594 0.0 25.6 1.0 F4 A:ALF594 1.8 26.4 1.0 F2 A:ALF594 1.8 28.2 1.0 F1 A:ALF594 1.8 24.1 1.0 F3 A:ALF594 1.8 23.0 1.0 O2P A:5GP593 1.9 20.3 1.0 O A:HOH602 2.0 29.7 1.0 P A:5GP593 3.3 21.5 1.0 MG A:MG595 3.4 24.4 1.0 NH2 A:ARG48 3.8 21.6 1.0 O1P A:5GP593 3.8 24.8 1.0 N A:ARG48 3.9 20.7 1.0 N A:HIS74 4.0 25.4 1.0 N A:THR75 4.0 23.1 1.0 O3P A:5GP593 4.0 17.8 1.0 NE A:ARG48 4.0 20.6 1.0 N A:GLY100 4.1 26.7 1.0 NZ A:LYS51 4.2 19.7 1.0 OG1 A:THR75 4.2 25.9 1.0 O A:HOH647 4.2 30.6 1.0 O A:HOH607 4.3 43.5 1.0 O A:HOH633 4.3 27.2 1.0 CB A:TYR47 4.3 21.4 1.0 CB A:THR75 4.3 26.2 1.0 CZ A:ARG48 4.4 24.2 1.0 CA A:TYR47 4.4 20.5 1.0 O5' A:5GP593 4.4 21.0 1.0 CA A:GLY100 4.4 25.1 1.0 O A:THR75 4.5 21.5 1.0 CA A:SER73 4.6 23.9 1.0 CA A:THR75 4.7 21.9 1.0 C A:TYR47 4.7 23.7 1.0 CA A:HIS74 4.8 25.4 1.0 CA A:ARG48 4.8 19.7 1.0 CB A:SER73 4.8 24.7 1.0 C A:HIS74 4.8 24.4 1.0 C A:SER73 4.8 25.4 1.0 CB A:HIS74 4.9 23.5 1.0 C5' A:5GP593 4.9 19.1 1.0 CE A:LYS51 5.0 18.7 1.0

Aluminium binding site 2 out of 2 in the Crystal-Structure of the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4


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 the N-Terminal Large Gtpase Domain of Human Guanylate Binding Protein 1 (HGBP1) in Complex with Gmp/ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Al594 b:26.8 occ:1.00 AL B:ALF594 0.0 26.8 1.0 F1 B:ALF594 1.8 25.2 1.0 F4 B:ALF594 1.8 23.8 1.0 F3 B:ALF594 1.8 23.6 1.0 F2 B:ALF594 1.8 28.2 1.0 O2P B:5GP593 1.9 21.1 1.0 O B:HOH599 2.0 32.4 1.0 P B:5GP593 3.3 22.5 1.0 MG B:MG595 3.4 24.7 1.0 O1P B:5GP593 3.8 26.5 1.0 NH2 B:ARG48 3.8 15.3 1.0 N B:THR75 3.9 23.0 1.0 N B:HIS74 3.9 24.6 1.0 O B:HOH671 3.9 35.6 1.0 N B:ARG48 4.0 21.5 1.0 O3P B:5GP593 4.0 20.6 1.0 NE B:ARG48 4.0 24.0 1.0 N B:GLY100 4.1 22.9 1.0 O B:HOH663 4.2 50.1 1.0 OG1 B:THR75 4.2 22.7 1.0 CB B:THR75 4.3 20.9 1.0 NZ B:LYS51 4.3 21.2 1.0 CB B:TYR47 4.4 22.5 1.0 CZ B:ARG48 4.4 21.2 1.0 O5' B:5GP593 4.4 19.1 1.0 O B:HOH649 4.4 29.9 1.0 CA B:TYR47 4.5 22.5 1.0 O B:THR75 4.5 25.1 1.0 CA B:GLY100 4.5 21.6 1.0 CA B:SER73 4.6 24.1 1.0 CA B:THR75 4.6 21.6 1.0 CA B:HIS74 4.7 25.6 1.0 C B:SER73 4.8 24.5 1.0 C B:TYR47 4.8 21.7 1.0 C B:HIS74 4.8 24.8 1.0 CA B:ARG48 4.8 18.4 1.0 CB B:SER73 4.9 26.6 1.0 C5' B:5GP593 4.9 22.0 1.0 CB B:HIS74 4.9 22.0 1.0

A.Ghosh, G.J.Praefcke, L.Renault, A.Wittinghofer, C.Herrmann. How Guanylate-Binding Proteins Achieve Assembly-Stimulated Processive Cleavage of Gtp to Gmp. Nature V. 440 101 2006.
ISSN: ISSN 0028-0836
PubMed: 16511497
DOI: 10.1038/NATURE04510