Atomistry » Fluorine » PDB 4f9w-4fvx » 4fmb
Atomistry »
  Fluorine »
    PDB 4f9w-4fvx »
      4fmb »

Fluorine in PDB 4fmb: Vira-RAB1 Complex Structure

Protein crystallography data

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

Other elements in 4fmb:

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

Aluminium (Al) 3 atoms
Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Vira-RAB1 Complex Structure (pdb code 4fmb). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Vira-RAB1 Complex Structure, PDB code: 4fmb:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 1 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:73.0
occ:1.00
F1 B:AF3201 0.0 73.0 1.0
AL B:AF3201 1.7 73.0 1.0
O1B B:GDP202 2.5 73.0 1.0
O2B B:GDP202 2.6 73.0 1.0
O B:HOH301 2.7 73.0 1.0
NZ B:LYS24 2.7 85.2 1.0
PB B:GDP202 2.8 73.0 1.0
F2 B:AF3201 2.9 73.0 1.0
F3 B:AF3201 2.9 73.0 1.0
CE B:LYS24 3.0 88.0 1.0
O3B B:GDP202 3.2 73.0 1.0
N B:GLY69 3.4 0.4 1.0
O B:THR67 3.5 0.7 1.0
O B:HOH302 3.6 49.0 1.0
MG B:MG203 3.8 0.2 1.0
CA B:SER20 4.0 0.9 1.0
N B:GLY21 4.0 97.4 1.0
CA B:GLY69 4.1 0.4 1.0
C B:ALA68 4.2 0.1 1.0
CA B:ALA68 4.3 0.1 1.0
O3A B:GDP202 4.3 73.0 1.0
O B:ASP19 4.3 0.6 1.0
CD B:LYS24 4.5 89.3 1.0
C B:THR67 4.6 0.5 1.0
C B:SER20 4.6 0.3 1.0
CB B:SER20 4.6 0.3 1.0
N B:SER20 4.8 0.8 1.0
O B:HOH303 4.8 37.2 1.0
CG B:LYS24 4.9 87.3 1.0
C B:ASP19 4.9 0.6 1.0
CB B:LYS24 4.9 89.1 1.0
NH1 A:ARG188 4.9 1.0 1.0
N B:ALA68 4.9 1.0 1.0

Fluorine binding site 2 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 2 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:73.0
occ:1.00
F2 B:AF3201 0.0 73.0 1.0
AL B:AF3201 1.7 73.0 1.0
MG B:MG203 2.5 0.2 1.0
O1B B:GDP202 2.6 73.0 1.0
N B:THR43 2.6 0.1 1.0
CB B:THR43 2.7 0.0 1.0
O B:HOH301 2.8 73.0 1.0
F1 B:AF3201 2.9 73.0 1.0
F3 B:AF3201 3.0 73.0 1.0
O B:HOH303 3.0 37.2 1.0
CA B:THR43 3.1 0.0 1.0
OG1 B:THR43 3.2 0.7 1.0
O B:HOH302 3.3 49.0 1.0
O3B B:GDP202 3.5 73.0 1.0
O B:THR43 3.6 0.8 1.0
C B:SER42 3.7 0.4 1.0
PB B:GDP202 3.7 73.0 1.0
NH1 A:ARG188 3.8 1.0 1.0
C B:THR43 3.8 0.9 1.0
CA B:SER42 4.0 0.8 1.0
CG2 B:THR43 4.0 0.5 1.0
O B:THR67 4.3 0.7 1.0
CB B:SER42 4.5 0.8 1.0
O2B B:GDP202 4.6 73.0 1.0
OG B:SER25 4.7 89.1 1.0
O B:SER42 4.7 0.0 1.0
CZ A:ARG188 4.7 0.5 1.0
NE2 A:GLN280 4.8 0.4 1.0
NH2 A:ARG188 4.8 0.5 1.0
CA B:ALA68 4.8 0.1 1.0
O3A B:GDP202 4.9 73.0 1.0

Fluorine binding site 3 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 3 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:73.0
occ:1.00
F3 B:AF3201 0.0 73.0 1.0
AL B:AF3201 1.7 73.0 1.0
O B:HOH301 2.5 73.0 1.0
O1B B:GDP202 2.6 73.0 1.0
NH2 A:ARG188 2.8 0.5 1.0
F1 B:AF3201 2.9 73.0 1.0
F2 B:AF3201 3.0 73.0 1.0
NE2 A:GLN280 3.1 0.4 1.0
NH1 A:ARG188 3.3 1.0 1.0
CB B:SER20 3.5 0.3 1.0
CZ A:ARG188 3.5 0.5 1.0
N B:GLY21 3.6 97.4 1.0
CA B:SER20 3.7 0.9 1.0
OE1 A:GLN280 3.9 0.7 1.0
CD A:GLN280 4.0 0.4 1.0
PB B:GDP202 4.0 73.0 1.0
C B:SER20 4.0 0.3 1.0
O2B B:GDP202 4.2 73.0 1.0
CB B:SER42 4.5 0.8 1.0
N B:THR43 4.5 0.1 1.0
CA B:GLY21 4.5 97.3 1.0
N B:GLY69 4.5 0.4 1.0
OD1 A:ASP185 4.8 93.0 1.0
CA B:SER42 4.8 0.8 1.0
NE A:ARG188 4.8 0.3 1.0
OG B:SER20 4.9 0.1 1.0
O3B B:GDP202 4.9 73.0 1.0
O3A B:GDP202 4.9 73.0 1.0

Fluorine binding site 4 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 4 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F201

b:89.9
occ:1.00
F1 D:AF3201 0.0 89.9 1.0
AL D:AF3201 1.7 89.9 1.0
O C:HOH501 2.7 89.9 1.0
O1B D:GDP202 2.7 89.9 1.0
F2 D:AF3201 2.8 89.9 1.0
F3 D:AF3201 3.0 89.9 1.0
NZ D:LYS24 3.0 86.8 1.0
O2B D:GDP202 3.1 89.9 1.0
PB D:GDP202 3.1 89.9 1.0
CE D:LYS24 3.2 89.6 1.0
N D:GLY69 3.2 0.6 1.0
O D:THR67 3.3 0.8 1.0
O D:HOH301 3.5 49.0 1.0
O3B D:GDP202 3.6 89.9 1.0
MG D:MG203 3.8 0.2 1.0
CA D:GLY69 3.9 0.6 1.0
CA D:ALA68 4.0 0.7 1.0
C D:ALA68 4.0 0.7 1.0
CA D:SER20 4.1 0.9 1.0
N D:GLY21 4.3 98.4 1.0
C D:THR67 4.3 0.7 1.0
O D:ASP19 4.5 0.0 1.0
CD D:LYS24 4.6 90.9 1.0
CB D:SER20 4.6 0.3 1.0
N D:ALA68 4.7 0.5 1.0
O3A D:GDP202 4.7 89.9 1.0
C D:SER20 4.8 0.4 1.0
CB D:THR43 4.8 0.8 1.0
O D:HOH302 4.8 37.2 1.0
N D:SER20 4.9 0.8 1.0

Fluorine binding site 5 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 5 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F201

b:89.9
occ:1.00
F2 D:AF3201 0.0 89.9 1.0
AL D:AF3201 1.7 89.9 1.0
N D:THR43 2.5 0.4 1.0
O1B D:GDP202 2.5 89.9 1.0
MG D:MG203 2.6 0.2 1.0
O C:HOH501 2.7 89.9 1.0
F1 D:AF3201 2.8 89.9 1.0
CB D:THR43 2.9 0.8 1.0
F3 D:AF3201 2.9 89.9 1.0
O D:HOH302 3.0 37.2 1.0
CA D:THR43 3.1 0.3 1.0
OG1 D:THR43 3.3 99.5 1.0
O D:HOH301 3.5 49.0 1.0
C D:SER42 3.6 0.4 1.0
O D:THR43 3.6 0.2 1.0
NH1 C:ARG188 3.8 0.8 1.0
PB D:GDP202 3.8 89.9 1.0
CA D:SER42 3.8 0.8 1.0
C D:THR43 3.9 0.3 1.0
O3B D:GDP202 4.0 89.9 1.0
CG2 D:THR43 4.2 0.3 1.0
CB D:SER42 4.3 0.1 1.0
O D:THR67 4.5 0.8 1.0
O D:SER42 4.6 0.1 1.0
NE2 C:GLN280 4.7 0.5 1.0
O2B D:GDP202 4.7 89.9 1.0
CZ C:ARG188 4.7 0.3 1.0
NH2 C:ARG188 4.8 0.4 1.0
OG D:SER25 4.8 89.6 1.0
O3A D:GDP202 5.0 89.9 1.0
CA D:ALA68 5.0 0.7 1.0
O2A D:GDP202 5.0 89.9 1.0

Fluorine binding site 6 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 6 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F201

b:89.9
occ:1.00
F3 D:AF3201 0.0 89.9 1.0
AL D:AF3201 1.7 89.9 1.0
O C:HOH501 2.5 89.9 1.0
O1B D:GDP202 2.6 89.9 1.0
NH2 C:ARG188 2.8 0.4 1.0
F2 D:AF3201 2.9 89.9 1.0
F1 D:AF3201 3.0 89.9 1.0
NH1 C:ARG188 3.2 0.8 1.0
NE2 C:GLN280 3.3 0.5 1.0
CZ C:ARG188 3.5 0.3 1.0
N D:GLY21 3.5 98.4 1.0
CB D:SER20 3.6 0.3 1.0
CA D:SER20 3.8 0.9 1.0
C D:SER20 4.0 0.4 1.0
PB D:GDP202 4.0 89.9 1.0
OE1 C:GLN280 4.1 0.8 1.0
CD C:GLN280 4.1 0.5 1.0
O2B D:GDP202 4.1 89.9 1.0
CA D:GLY21 4.3 98.3 1.0
CB D:SER42 4.5 0.1 1.0
N D:THR43 4.6 0.4 1.0
CA D:SER42 4.7 0.8 1.0
NE C:ARG188 4.8 0.2 1.0
O3A D:GDP202 4.8 89.9 1.0
OD1 C:ASP185 4.8 94.6 1.0
N D:GLY69 4.8 0.6 1.0
O D:HOH302 5.0 37.2 1.0
O D:SER20 5.0 0.3 1.0
OG D:SER20 5.0 0.1 1.0

Fluorine binding site 7 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 7 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F201

b:0.8
occ:1.00
F1 F:AF3201 0.0 0.8 1.0
AL F:AF3201 1.7 0.8 1.0
O2B F:GDP202 2.6 0.8 1.0
O E:HOH501 2.6 0.8 1.0
O1B F:GDP202 2.7 0.8 1.0
NZ F:LYS24 2.7 88.8 1.0
F2 F:AF3201 2.9 0.8 1.0
F3 F:AF3201 2.9 0.8 1.0
PB F:GDP202 3.0 0.8 1.0
N F:GLY69 3.1 0.1 1.0
CE F:LYS24 3.1 91.6 1.0
O F:THR67 3.6 0.4 1.0
O3B F:GDP202 3.6 0.8 1.0
CA F:SER20 3.7 0.5 1.0
CA F:GLY69 3.7 0.0 1.0
N F:GLY21 3.9 0.6 1.0
O F:HOH301 4.0 49.0 1.0
C F:ALA68 4.0 0.9 1.0
O F:ASP19 4.1 0.3 1.0
CA F:ALA68 4.2 0.9 1.0
MG F:MG203 4.2 0.2 1.0
CB F:SER20 4.3 0.9 1.0
C F:SER20 4.3 1.0 1.0
N F:SER20 4.4 0.5 1.0
O3A F:GDP202 4.5 0.8 1.0
C F:ASP19 4.5 0.2 1.0
CD F:LYS24 4.6 92.9 1.0
C F:THR67 4.6 0.3 1.0
O F:GLY18 4.9 0.0 1.0
N F:ALA68 4.9 0.8 1.0

Fluorine binding site 8 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 8 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F201

b:0.8
occ:1.00
F2 F:AF3201 0.0 0.8 1.0
AL F:AF3201 1.7 0.8 1.0
O1B F:GDP202 2.6 0.8 1.0
O E:HOH501 2.7 0.8 1.0
N F:THR43 2.8 0.6 1.0
MG F:MG203 2.8 0.2 1.0
CB F:THR43 2.8 0.9 1.0
F1 F:AF3201 2.9 0.8 1.0
F3 F:AF3201 2.9 0.8 1.0
CA F:THR43 3.2 0.5 1.0
O F:THR43 3.3 0.3 1.0
O F:HOH301 3.4 49.0 1.0
OG1 F:THR43 3.4 0.6 1.0
O F:HOH302 3.5 37.2 1.0
C F:THR43 3.7 0.5 1.0
C F:SER42 3.9 0.1 1.0
PB F:GDP202 3.9 0.8 1.0
CG2 F:THR43 4.0 0.3 1.0
O F:THR67 4.1 0.4 1.0
O3B F:GDP202 4.2 0.8 1.0
NH1 E:ARG188 4.3 0.7 1.0
CA F:SER42 4.3 0.4 1.0
CA F:ALA68 4.4 0.9 1.0
NE2 E:GLN280 4.4 0.4 1.0
O2B F:GDP202 4.5 0.8 1.0
CB F:SER42 4.7 0.3 1.0
N F:GLY69 4.7 0.1 1.0
C F:THR67 4.8 0.3 1.0
O F:SER42 5.0 0.7 1.0
NH2 E:ARG188 5.0 0.2 1.0

Fluorine binding site 9 out of 9 in 4fmb

Go back to Fluorine Binding Sites List in 4fmb
Fluorine binding site 9 out of 9 in the Vira-RAB1 Complex Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Vira-RAB1 Complex Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F201

b:0.8
occ:1.00
F3 F:AF3201 0.0 0.8 1.0
AL F:AF3201 1.7 0.8 1.0
O1B F:GDP202 2.5 0.8 1.0
O E:HOH501 2.6 0.8 1.0
NH2 E:ARG188 2.8 0.2 1.0
F2 F:AF3201 2.9 0.8 1.0
F1 F:AF3201 2.9 0.8 1.0
NH1 E:ARG188 3.3 0.7 1.0
N F:GLY21 3.4 0.6 1.0
CZ E:ARG188 3.5 0.2 1.0
NE2 E:GLN280 3.5 0.4 1.0
PB F:GDP202 3.7 0.8 1.0
O2B F:GDP202 3.7 0.8 1.0
CB F:SER20 3.8 0.9 1.0
CA F:SER20 3.9 0.5 1.0
C F:SER20 4.0 1.0 1.0
OE1 E:GLN280 4.2 0.6 1.0
CA F:GLY21 4.2 0.5 1.0
CD E:GLN280 4.3 0.3 1.0
O3A F:GDP202 4.4 0.8 1.0
CB F:SER42 4.5 0.3 1.0
N F:THR43 4.6 0.6 1.0
CA F:SER42 4.7 0.4 1.0
NE E:ARG188 4.8 0.0 1.0
O3B F:GDP202 4.9 0.8 1.0
O F:HOH302 4.9 37.2 1.0
MG F:MG203 4.9 0.2 1.0
OD1 E:ASP185 4.9 94.3 1.0
N F:GLY69 5.0 0.1 1.0
O F:SER20 5.0 0.9 1.0

Reference:

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
Page generated: Thu Aug 1 01:36:59 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy