Aluminium in PDB 4fmd: Espg-RAB1 Complex Structure at 3.05 A

The structure of Espg-RAB1 Complex Structure at 3.05 A, PDB code: 4fmd 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 / 3.05
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.568, 153.221, 230.805, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26.6

The structure of Espg-RAB1 Complex Structure at 3.05 A also contains other interesting chemical elements:

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

The binding sites of Aluminium atom in the Espg-RAB1 Complex Structure at 3.05 A (pdb code 4fmd). 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 Structure at 3.05 A, PDB code: 4fmd:
Jump to Aluminium binding site number: 1; 2; 3;

Aluminium binding site 1 out of 3 in the Espg-RAB1 Complex Structure at 3.05 A


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 Structure at 3.05 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Al201 b:49.6 occ:1.00 AL B:AF3201 0.0 49.6 1.0 F3 B:AF3201 1.7 49.2 1.0 F1 B:AF3201 1.7 48.9 1.0 F2 B:AF3201 1.7 50.4 1.0 O A:HOH401 2.0 49.5 1.0 O2B B:GDP202 2.0 66.0 1.0 PB B:GDP202 3.2 61.5 1.0 MG B:MG203 3.4 53.1 1.0 NH2 A:ARG208 3.6 70.6 1.0 O3B B:GDP202 3.6 61.2 1.0 O1B B:GDP202 3.9 57.6 1.0 CB B:SER20 4.0 67.5 1.0 NZ B:LYS24 4.0 65.2 1.0 CA B:SER20 4.0 66.4 1.0 O B:HOH301 4.0 41.1 1.0 N B:GLY21 4.1 66.4 1.0 NH1 A:ARG208 4.2 71.2 1.0 N B:GLY69 4.2 60.6 1.0 CZ A:ARG208 4.3 70.5 1.0 CB B:THR43 4.4 68.7 1.0 NE2 A:GLN293 4.4 56.9 1.0 O3A B:GDP202 4.4 62.9 1.0 O B:HOH302 4.5 81.7 1.0 N B:THR43 4.5 72.2 1.0 OE1 A:GLN293 4.5 55.1 1.0 C B:SER20 4.6 67.0 1.0 CA B:ALA68 4.6 61.2 1.0 CE B:LYS24 4.7 64.0 1.0 OG B:SER20 4.8 68.6 1.0 O B:THR43 4.8 70.2 1.0 O B:THR67 4.9 61.1 1.0 CD A:GLN293 4.9 55.8 1.0 OG1 B:THR43 4.9 68.0 1.0 C B:ALA68 4.9 61.2 1.0 CA B:THR43 5.0 70.4 1.0

Aluminium binding site 2 out of 3 in the Espg-RAB1 Complex Structure at 3.05 A


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 Structure at 3.05 A within 5.0Å range: probe atom residue distance (Å) B Occ D:Al201 b:51.7 occ:1.00 AL D:AF3201 0.0 51.7 1.0 F1 D:AF3201 1.7 51.0 1.0 F3 D:AF3201 1.7 50.8 1.0 F2 D:AF3201 1.7 51.2 1.0 O C:HOH501 1.8 51.2 1.0 O3B D:GDP202 2.0 82.6 1.0 MG D:MG203 3.1 69.4 1.0 PB D:GDP202 3.2 80.7 1.0 NH2 C:ARG208 3.6 88.6 1.0 O1B D:GDP202 3.6 78.8 1.0 O2B D:GDP202 3.7 79.3 1.0 N D:GLY21 3.9 83.7 1.0 CA D:SER20 4.0 80.8 1.0 CB D:SER20 4.0 80.0 1.0 O D:HOH302 4.0 76.2 1.0 O D:HOH301 4.1 75.7 1.0 N D:GLY69 4.1 70.2 1.0 NH1 C:ARG208 4.3 87.5 1.0 OE1 C:GLN293 4.4 69.7 1.0 NE2 C:GLN293 4.4 72.3 1.0 N D:THR43 4.4 83.5 1.0 CZ C:ARG208 4.4 88.4 1.0 O3A D:GDP202 4.5 84.3 1.0 C D:SER20 4.5 83.2 1.0 CA D:ALA68 4.5 69.3 1.0 NZ D:LYS24 4.5 80.0 1.0 O D:THR67 4.6 71.6 1.0 CB D:THR43 4.7 80.2 1.0 O D:THR43 4.8 78.3 1.0 O2A D:GDP202 4.8 83.6 1.0 CD C:GLN293 4.9 70.3 1.0 C D:ALA68 4.9 69.2 1.0 CA D:GLY21 4.9 86.4 1.0

Aluminium binding site 3 out of 3 in the Espg-RAB1 Complex Structure at 3.05 A


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 Structure at 3.05 A within 5.0Å range: probe atom residue distance (Å) B Occ F:Al201 b:62.5 occ:1.00 AL F:AF3201 0.0 62.5 1.0 F2 F:AF3201 1.7 62.5 1.0 F3 F:AF3201 1.7 62.4 1.0 F1 F:AF3201 1.7 62.4 1.0 O E:HOH501 1.8 62.4 1.0 O1B F:GDP202 2.0 0.3 1.0 PB F:GDP202 3.1 0.0 1.0 NH2 E:ARG208 3.4 0.8 1.0 O3B F:GDP202 3.5 0.4 1.0 N F:GLY21 3.6 0.5 1.0 MG F:MG203 3.6 91.3 1.0 O2B F:GDP202 3.6 0.3 1.0 CA F:SER20 3.9 0.9 1.0 O F:HOH301 4.1 92.6 1.0 N F:GLY69 4.2 0.2 1.0 CB F:SER20 4.2 0.9 1.0 CZ E:ARG208 4.2 0.8 1.0 C F:SER20 4.3 0.7 1.0 NH1 E:ARG208 4.3 0.5 1.0 O2A F:GDP202 4.4 0.4 1.0 NZ F:LYS24 4.4 0.4 1.0 O3A F:GDP202 4.5 0.9 1.0 N F:THR43 4.5 0.8 1.0 OE1 E:GLN293 4.5 89.5 1.0 CA F:GLY21 4.5 0.6 1.0 CB F:THR43 4.6 0.9 1.0 OG1 F:THR43 4.6 0.8 1.0 NE2 E:GLN293 4.6 89.3 1.0 O F:ASP19 4.9 0.6 1.0 CA F:GLY69 4.9 0.7 1.0 CA F:ALA68 4.9 0.7 1.0 O F:THR67 5.0 1.0 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