Aluminium in PDB 4fmb: Vira-RAB1 Complex Structure

The structure of Vira-RAB1 Complex Structure, PDB code: 4fmb 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 / 3.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	186.118, 127.311, 107.325, 90.00, 94.45, 90.00
R / Rfree (%)	22.8 / 24.7

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

Fluorine	(F)	9 atoms
Magnesium	(Mg)	3 atoms

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

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Vira-RAB1 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Al201 b:73.0 occ:1.00 AL B:AF3201 0.0 73.0 1.0 F1 B:AF3201 1.7 73.0 1.0 F2 B:AF3201 1.7 73.0 1.0 F3 B:AF3201 1.7 73.0 1.0 O1B B:GDP202 1.9 73.0 1.0 O B:HOH301 2.1 73.0 1.0 PB B:GDP202 3.1 73.0 1.0 O2B B:GDP202 3.5 73.0 1.0 O3B B:GDP202 3.5 73.0 1.0 MG B:MG203 3.6 0.2 1.0 NH1 A:ARG188 3.7 1.0 1.0 N B:THR43 4.0 0.1 1.0 O B:HOH302 4.0 49.0 1.0 O B:HOH303 4.1 37.2 1.0 N B:GLY69 4.1 0.4 1.0 NH2 A:ARG188 4.1 0.5 1.0 NE2 A:GLN280 4.2 0.4 1.0 N B:GLY21 4.2 97.4 1.0 CB B:THR43 4.3 0.0 1.0 O B:THR67 4.4 0.7 1.0 NZ B:LYS24 4.4 85.2 1.0 CZ A:ARG188 4.4 0.5 1.0 CA B:SER20 4.4 0.9 1.0 O3A B:GDP202 4.4 73.0 1.0 O B:THR43 4.4 0.8 1.0 CB B:SER20 4.6 0.3 1.0 CA B:ALA68 4.6 0.1 1.0 CA B:THR43 4.6 0.0 1.0 CE B:LYS24 4.7 88.0 1.0 OG1 B:THR43 4.8 0.7 1.0 C B:SER20 4.8 0.3 1.0 OE1 A:GLN280 4.9 0.7 1.0 C B:ALA68 4.9 0.1 1.0 CA B:SER42 4.9 0.8 1.0 C B:SER42 5.0 0.4 1.0 CA B:GLY69 5.0 0.4 1.0 CD A:GLN280 5.0 0.4 1.0

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Vira-RAB1 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ D:Al201 b:89.9 occ:1.00 AL D:AF3201 0.0 89.9 1.0 F2 D:AF3201 1.7 89.9 1.0 F1 D:AF3201 1.7 89.9 1.0 F3 D:AF3201 1.7 89.9 1.0 O1B D:GDP202 2.0 89.9 1.0 O C:HOH501 2.1 89.9 1.0 PB D:GDP202 3.2 89.9 1.0 O2B D:GDP202 3.6 89.9 1.0 MG D:MG203 3.6 0.2 1.0 NH1 C:ARG188 3.8 0.8 1.0 O3B D:GDP202 3.9 89.9 1.0 N D:THR43 4.0 0.4 1.0 O D:HOH302 4.0 37.2 1.0 O D:HOH301 4.1 49.0 1.0 N D:GLY21 4.2 98.4 1.0 NE2 C:GLN280 4.2 0.5 1.0 NH2 C:ARG188 4.2 0.4 1.0 N D:GLY69 4.2 0.6 1.0 CB D:THR43 4.3 0.8 1.0 CA D:SER20 4.4 0.9 1.0 O3A D:GDP202 4.5 89.9 1.0 O D:THR43 4.5 0.2 1.0 CZ C:ARG188 4.5 0.3 1.0 O D:THR67 4.5 0.8 1.0 NZ D:LYS24 4.5 86.8 1.0 CB D:SER20 4.6 0.3 1.0 CA D:THR43 4.7 0.3 1.0 CA D:ALA68 4.7 0.7 1.0 CE D:LYS24 4.8 89.6 1.0 C D:SER20 4.8 0.4 1.0 OE1 C:GLN280 4.8 0.8 1.0 CA D:SER42 4.8 0.8 1.0 OG1 D:THR43 4.8 99.5 1.0 C D:SER42 4.9 0.4 1.0 CD C:GLN280 4.9 0.5 1.0 CB D:SER42 5.0 0.1 1.0

Aluminium binding site 3 out of 3 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Vira-RAB1 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ F:Al201 b:0.8 occ:1.00 AL F:AF3201 0.0 0.8 1.0 F2 F:AF3201 1.7 0.8 1.0 F1 F:AF3201 1.7 0.8 1.0 F3 F:AF3201 1.7 0.8 1.0 O1B F:GDP202 1.9 0.8 1.0 O E:HOH501 2.1 0.8 1.0 PB F:GDP202 3.2 0.8 1.0 O2B F:GDP202 3.3 0.8 1.0 MG F:MG203 3.7 0.2 1.0 O3B F:GDP202 3.9 0.8 1.0 N F:GLY69 4.0 0.1 1.0 NH1 E:ARG188 4.1 0.7 1.0 N F:GLY21 4.1 0.6 1.0 O F:HOH301 4.1 49.0 1.0 NE2 E:GLN280 4.1 0.4 1.0 N F:THR43 4.2 0.6 1.0 CA F:SER20 4.2 0.5 1.0 NH2 E:ARG188 4.3 0.2 1.0 NZ F:LYS24 4.3 88.8 1.0 O3A F:GDP202 4.3 0.8 1.0 O F:HOH302 4.3 37.2 1.0 O F:THR67 4.4 0.4 1.0 CB F:SER20 4.5 0.9 1.0 CB F:THR43 4.5 0.9 1.0 O F:THR43 4.5 0.3 1.0 OE1 E:GLN280 4.6 0.6 1.0 CA F:ALA68 4.6 0.9 1.0 CE F:LYS24 4.6 91.6 1.0 C F:SER20 4.7 1.0 1.0 CZ E:ARG188 4.7 0.2 1.0 CA F:THR43 4.8 0.5 1.0 CA F:GLY69 4.8 0.0 1.0 CD E:GLN280 4.8 0.3 1.0 C F:ALA68 4.9 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