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Aluminium in PDB 4iru: Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3

Enzymatic activity of Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3

All present enzymatic activity of Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3:
3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3, PDB code: 4iru was solved by A.K.Mishra, C.M.Delcampo, R.E.Collins, C.R.Roy, D.G.Lambright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.01 / 3.20
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 139.404, 139.404, 384.519, 90.00, 90.00, 90.00
R / Rfree (%) 23 / 28.8

Other elements in 4iru:

The structure of Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3 also contains other interesting chemical elements:

Fluorine (F) 9 atoms
Magnesium (Mg) 3 atoms
Potassium (K) 6 atoms

Aluminium Binding Sites:

The binding sites of Aluminium atom in the Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3 (pdb code 4iru). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 3 binding sites of Aluminium where determined in the Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3, PDB code: 4iru:
Jump to Aluminium binding site number: 1; 2; 3;

Aluminium binding site 1 out of 3 in 4iru

Go back to Aluminium Binding Sites List in 4iru
Aluminium binding site 1 out of 3 in the Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3


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 Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Al203

b:33.4
occ:1.00
AL B:AF3203 0.0 33.4 1.0
F3 B:AF3203 1.7 31.7 1.0
F2 B:AF3203 1.8 33.3 1.0
F1 B:AF3203 1.8 32.2 1.0
O B:HOH308 2.0 16.4 1.0
O1B B:GDP202 2.5 19.9 1.0
MG B:MG201 3.1 32.8 1.0
PB B:GDP202 3.5 19.1 1.0
OG B:SER42 3.6 18.5 1.0
NH2 A:ARG444 3.6 28.0 1.0
OG B:SER20 3.7 28.9 1.0
N B:GLY69 3.8 29.2 1.0
O B:HOH302 3.9 22.8 1.0
O3B B:GDP202 3.9 20.2 1.0
N B:THR43 4.0 18.2 1.0
O B:HOH303 4.0 18.3 1.0
N B:GLY21 4.0 29.4 1.0
OE1 B:GLN70 4.1 29.2 1.0
CA B:SER20 4.2 29.0 1.0
O2B B:GDP202 4.2 20.4 1.0
O B:THR43 4.4 16.9 1.0
CB B:THR43 4.4 17.3 1.0
CA B:ALA68 4.4 28.6 1.0
CB B:SER20 4.4 28.9 1.0
NH1 A:ARG444 4.5 27.2 1.0
CA B:SER42 4.5 18.9 1.0
NZ B:LYS24 4.5 26.8 1.0
CZ A:ARG444 4.5 27.9 1.0
CB B:SER42 4.6 18.4 1.0
O B:THR67 4.6 29.7 1.0
C B:ALA68 4.6 28.9 1.0
CE B:LYS24 4.6 26.4 1.0
C B:SER20 4.7 29.5 1.0
CA B:GLY69 4.7 29.7 1.0
C B:SER42 4.7 18.7 1.0
CA B:THR43 4.7 17.4 1.0
CD B:GLN70 4.8 28.4 1.0
O3A B:GDP202 4.8 21.8 1.0
OG1 B:THR43 4.9 17.3 1.0
NE2 B:GLN70 4.9 28.4 1.0
CA B:GLY21 5.0 28.2 1.0

Aluminium binding site 2 out of 3 in 4iru

Go back to Aluminium Binding Sites List in 4iru
Aluminium binding site 2 out of 3 in the Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3


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 Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Al203

b:30.5
occ:1.00
AL D:AF3203 0.0 30.5 1.0
F2 D:AF3203 1.7 30.3 1.0
F3 D:AF3203 1.7 30.2 1.0
F1 D:AF3203 1.8 29.4 1.0
O D:HOH301 2.1 46.6 1.0
O1B D:GDP202 2.7 23.4 1.0
MG D:MG201 3.1 36.0 1.0
PB D:GDP202 3.5 22.9 1.0
OG D:SER42 3.5 23.9 1.0
O3B D:GDP202 3.6 23.5 1.0
NH1 C:ARG444 3.7 24.4 1.0
OG D:SER20 3.8 29.7 1.0
N D:GLY69 3.8 31.7 1.0
O D:HOH302 3.9 18.5 1.0
OE1 D:GLN70 4.0 30.8 1.0
N D:THR43 4.0 22.8 1.0
N D:GLY21 4.0 31.6 1.0
O2B D:GDP202 4.1 24.0 1.0
NH2 C:ARG444 4.2 23.5 1.0
CA D:SER20 4.2 30.9 1.0
O D:HOH303 4.4 12.9 1.0
CB D:SER20 4.4 31.0 1.0
NZ D:LYS24 4.4 34.6 1.0
CA D:ALA68 4.4 29.9 1.0
CZ C:ARG444 4.4 24.0 1.0
CB D:THR43 4.4 21.4 1.0
O D:THR43 4.4 22.5 1.0
O D:THR67 4.5 31.0 1.0
CA D:SER42 4.5 25.4 1.0
CB D:SER42 4.5 24.9 1.0
CE D:LYS24 4.6 33.4 1.0
C D:ALA68 4.6 31.1 1.0
C D:SER20 4.6 31.6 1.0
C D:SER42 4.7 24.2 1.0
CA D:THR43 4.7 22.0 1.0
CA D:GLY69 4.7 31.8 1.0
CD D:GLN70 4.8 31.0 1.0
O3A D:GDP202 4.9 24.4 1.0
OG1 D:THR43 4.9 21.6 1.0
CA D:GLY21 5.0 32.6 1.0
NE2 D:GLN70 5.0 31.2 1.0

Aluminium binding site 3 out of 3 in 4iru

Go back to Aluminium Binding Sites List in 4iru
Aluminium binding site 3 out of 3 in the Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Crystal Structure of Lepb Gap Core in A Transition State Mimetic Complex with RAB1A and ALF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Al202

b:61.7
occ:1.00
AL F:AF3202 0.0 61.7 1.0
F2 F:AF3202 1.8 66.3 1.0
F3 F:AF3202 1.8 56.4 1.0
F1 F:AF3202 1.8 60.3 1.0
O1B F:GDP201 2.6 98.4 1.0
MG F:MG200 3.1 45.2 1.0
PB F:GDP201 3.5 96.9 1.0
O2B F:GDP201 3.7 90.8 1.0
O F:THR67 3.8 99.3 1.0
O3B F:GDP201 4.0 92.9 1.0
N F:GLY21 4.0 0.9 1.0
N F:GLY69 4.3 0.5 1.0
N F:THR43 4.3 0.7 1.0
CA F:SER20 4.3 0.7 1.0
OG F:SER20 4.4 80.2 1.0
CA F:ALA68 4.4 0.4 1.0
O F:THR43 4.4 96.2 1.0
NH2 E:ARG444 4.5 87.2 1.0
CE F:LYS24 4.6 88.2 1.0
C F:SER20 4.7 0.5 1.0
CB F:THR43 4.7 79.0 1.0
CD F:GLN70 4.7 0.6 1.0
OE1 F:GLN70 4.8 0.0 1.0
CA F:SER42 4.8 0.9 1.0
C F:THR67 4.8 98.7 1.0
CG F:GLN70 4.8 1.0 1.0
OG1 F:THR43 4.9 61.1 1.0
CB F:SER20 4.9 0.2 1.0
C F:SER42 4.9 0.9 1.0
C F:ALA68 4.9 1.0 1.0
O3A F:GDP201 4.9 94.8 1.0
CB F:SER42 4.9 1.0 1.0
O F:ASP19 4.9 0.7 1.0
OD1 F:ASP66 4.9 0.9 1.0
CA F:GLY21 4.9 0.6 1.0
CA F:THR43 4.9 94.6 1.0

Reference:

A.K.Mishra, C.M.Del Campo, R.E.Collins, C.R.Roy, D.G.Lambright. The Legionella Pneumophila Gtpase Activating Protein Lepb Accelerates RAB1 Deactivation By A Non-Canonical Hydrolytic Mechanism. J.Biol.Chem. V. 288 24000 2013.
ISSN: ISSN 0021-9258
PubMed: 23821544
DOI: 10.1074/JBC.M113.470625
Page generated: Wed Jul 10 09:46:10 2024

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