Aluminium in PDB 4fmc: Espg-RAB1 Complex

The structure of Espg-RAB1 Complex, PDB code: 4fmc was solved by F.Shao, Y.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	107.566, 152.707, 226.706, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 27.7

The structure of Espg-RAB1 Complex also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Magnesium	(Mg)	3 atoms

The binding sites of Aluminium atom in the Espg-RAB1 Complex (pdb code 4fmc). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 3 binding sites of Aluminium where determined in the Espg-RAB1 Complex, PDB code: 4fmc:
Jump to Aluminium binding site number: 1; 2; 3;

Aluminium binding site 1 out of 3 in the Espg-RAB1 Complex


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Espg-RAB1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Al201 b:39.1 occ:1.00 AL B:AF3201 0.0 39.1 1.0 F2 B:AF3201 1.7 38.5 1.0 F3 B:AF3201 1.7 38.1 1.0 F1 B:AF3201 1.7 36.9 1.0 O A:HOH501 2.0 36.9 1.0 O1B B:GDP202 2.0 49.8 1.0 PB B:GDP202 3.1 48.6 1.0 O3B B:GDP202 3.4 46.7 1.0 O B:HOH301 3.5 71.2 1.0 NH2 A:ARG208 3.7 62.8 1.0 MG B:MG203 3.7 52.6 1.0 O2B B:GDP202 4.0 46.5 1.0 NZ B:LYS24 4.0 44.2 1.0 CA B:SER20 4.0 55.4 1.0 O B:HOH302 4.0 44.9 1.0 N B:GLY21 4.2 54.5 1.0 CB B:SER20 4.3 56.5 1.0 N B:GLY69 4.3 51.1 1.0 OG B:SER20 4.4 58.3 1.0 N B:THR43 4.4 58.4 1.0 OE1 A:GLN293 4.4 53.3 1.0 O3A B:GDP202 4.5 47.9 1.0 NH1 A:ARG208 4.5 63.0 1.0 CA B:ALA68 4.5 52.0 1.0 CZ A:ARG208 4.5 63.7 1.0 CB B:THR43 4.5 55.1 1.0 NE2 A:GLN293 4.6 54.9 1.0 C B:SER20 4.7 55.3 1.0 OG1 B:THR43 4.7 54.0 1.0 O B:THR67 4.7 52.1 1.0 O B:THR43 4.8 56.3 1.0 CE B:LYS24 4.9 45.0 1.0 O1A B:GDP202 4.9 48.7 1.0 CD A:GLN293 4.9 53.4 1.0 C B:ALA68 4.9 51.7 1.0

Aluminium binding site 2 out of 3 in the Espg-RAB1 Complex


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Espg-RAB1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Al201 b:38.9 occ:1.00 AL D:AF3201 0.0 38.9 1.0 F3 D:AF3201 1.7 38.2 1.0 F1 D:AF3201 1.7 37.0 1.0 F2 D:AF3201 1.7 38.3 1.0 O C:HOH401 2.0 68.7 1.0 O3B D:GDP202 2.0 73.3 1.0 PB D:GDP202 3.1 72.3 1.0 NH2 C:ARG208 3.1 87.8 1.0 MG D:MG203 3.3 78.1 1.0 O1B D:GDP202 3.4 70.1 1.0 OG D:SER20 3.8 76.8 1.0 O2B D:GDP202 3.8 70.0 1.0 N D:GLY21 4.0 78.1 1.0 NZ D:LYS24 4.1 64.2 1.0 CA D:SER20 4.1 74.8 1.0 CB D:SER20 4.2 74.3 1.0 OG1 D:THR43 4.2 73.6 1.0 N D:THR43 4.3 77.8 1.0 N D:GLY69 4.3 63.3 1.0 CB D:THR43 4.3 73.2 1.0 CZ C:ARG208 4.4 88.5 1.0 O D:HOH301 4.4 58.2 1.0 O2A D:GDP202 4.4 79.1 1.0 O3A D:GDP202 4.5 77.7 1.0 OE1 C:GLN293 4.5 65.3 1.0 NE2 C:GLN293 4.6 69.8 1.0 C D:SER20 4.6 77.5 1.0 O D:THR67 4.7 67.1 1.0 CA D:ALA68 4.8 63.4 1.0 O D:THR43 4.8 70.1 1.0 CA D:THR43 4.9 74.2 1.0 NH1 C:ARG208 4.9 87.5 1.0 CD C:GLN293 4.9 66.6 1.0

Aluminium binding site 3 out of 3 in the Espg-RAB1 Complex


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Espg-RAB1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Al201 b:34.5 occ:1.00 AL F:AF3201 0.0 34.5 1.0 F2 F:AF3201 1.7 34.6 1.0 F3 F:AF3201 1.7 34.4 1.0 O2B F:GDP202 2.0 0.9 1.0 PB F:GDP202 3.0 0.2 1.0 O1B F:GDP202 3.1 0.6 1.0 N F:GLY21 3.2 0.4 1.0 NH2 E:ARG208 3.4 0.2 1.0 O3B F:GDP202 3.7 0.0 1.0 MG F:MG203 3.8 0.8 1.0 NZ F:LYS24 3.8 0.7 1.0 CA F:SER20 3.9 0.8 1.0 C F:SER20 4.1 0.1 1.0 CA F:GLY21 4.1 0.7 1.0 O F:ASP19 4.2 0.7 1.0 OG F:SER20 4.3 0.8 1.0 O F:THR67 4.4 0.1 1.0 OG1 F:THR43 4.4 0.7 1.0 N F:GLY69 4.4 0.1 1.0 O3A F:GDP202 4.4 0.5 1.0 CB F:THR43 4.5 0.2 1.0 CA F:ALA68 4.5 0.2 1.0 N F:THR43 4.7 0.8 1.0 CB F:SER20 4.7 0.0 1.0 CZ E:ARG208 4.7 0.6 1.0 C F:ALA68 4.7 0.6 1.0 O F:THR43 4.9 0.3 1.0 N F:SER20 4.9 0.8 1.0 NE2 E:GLN293 5.0 0.9 1.0

N.Dong, Y.Zhu, Q.Lu, L.Hu, Y.Zheng, F.Shao. Structurally Distinct Bacterial Tbc-Like Gaps Link Arf Gtpase to RAB1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.) V. 150 1029 2012.
ISSN: ISSN 0092-8674
PubMed: 22939626
DOI: 10.1016/J.CELL.2012.06.050