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Fluorine in PDB 4ido: Human Atlastin-1 1-446, C-HIS6, GDPALF4-

Protein crystallography data

The structure of Human Atlastin-1 1-446, C-HIS6, GDPALF4-, PDB code: 4ido was solved by L.J.Byrnes, A.Singh, K.Szeto, N.M.Benvin, J.P.O'donnell, W.R.Zipfel, H.Sondermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.74 / 2.09
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.610, 116.430, 185.400, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 24.9

Other elements in 4ido:

The structure of Human Atlastin-1 1-446, C-HIS6, GDPALF4- also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Atlastin-1 1-446, C-HIS6, GDPALF4- (pdb code 4ido). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-, PDB code: 4ido:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 1 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:22.9
occ:1.00
F1 A:ALF502 0.0 22.9 1.0
AL A:ALF502 1.8 20.3 1.0
F4 A:ALF502 2.5 17.7 1.0
N A:GLU119 2.5 16.0 1.0
F3 A:ALF502 2.5 17.6 1.0
O3B A:GDP501 2.7 20.1 1.0
NH2 A:ARG77 2.9 16.2 1.0
O A:HOH697 2.9 12.8 1.0
N A:THR120 3.0 13.1 1.0
O A:HOH601 3.2 14.9 1.0
CA A:GLU119 3.2 21.8 1.0
CB A:GLU119 3.3 16.9 1.0
C A:GLU119 3.6 16.0 1.0
F2 A:ALF502 3.6 14.8 1.0
C A:ARG118 3.6 21.7 1.0
NE A:ARG77 3.6 15.0 1.0
CZ A:ARG77 3.6 13.3 1.0
MG A:MG503 3.7 14.1 1.0
CA A:ARG118 3.8 23.1 1.0
PB A:GDP501 3.9 14.6 1.0
O1B A:GDP501 4.1 11.2 1.0
OG1 A:THR120 4.1 18.2 1.0
CA A:THR120 4.1 20.9 1.0
CB A:THR120 4.3 18.5 1.0
CB A:ARG118 4.3 19.9 1.0
O A:THR120 4.4 24.3 1.0
CG A:GLU119 4.5 15.3 1.0
O2A A:GDP501 4.5 14.2 1.0
O3A A:GDP501 4.7 13.9 1.0
O A:ARG118 4.7 17.0 1.0
O A:GLU119 4.7 15.5 1.0
C A:THR120 4.8 20.9 1.0
N A:ARG77 4.9 12.5 1.0
NH1 A:ARG77 4.9 15.7 1.0
CD A:ARG77 4.9 17.6 1.0

Fluorine binding site 2 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 2 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:14.8
occ:1.00
F2 A:ALF502 0.0 14.8 1.0
AL A:ALF502 1.8 20.3 1.0
F3 A:ALF502 2.5 17.6 1.0
F4 A:ALF502 2.6 17.7 1.0
NZ A:LYS80 2.6 8.8 1.0
O3B A:GDP501 2.7 20.1 1.0
O A:HOH697 2.8 12.8 1.0
N A:GLY149 2.9 19.1 1.0
CA A:GLY149 3.0 8.8 1.0
CA A:PHE76 3.2 19.8 1.0
CB A:PHE76 3.5 15.2 1.0
N A:ARG77 3.5 12.5 1.0
PB A:GDP501 3.6 14.6 1.0
O2B A:GDP501 3.6 17.1 1.0
F1 A:ALF502 3.6 22.9 1.0
CE A:LYS80 3.6 16.1 1.0
C A:PHE76 3.9 12.1 1.0
O1B A:GDP501 4.0 11.2 1.0
O A:HOH625 4.0 9.9 1.0
C A:GLN148 4.2 20.9 1.0
MG A:MG503 4.2 14.1 1.0
C A:GLY149 4.3 10.3 1.0
N A:PHE76 4.3 13.6 1.0
O A:HOH920 4.3 10.3 1.0
O A:THR147 4.4 15.5 1.0
O A:ALA75 4.4 13.9 1.0
C A:ALA75 4.7 14.9 1.0
O A:GLY149 4.7 10.8 1.0
CA A:ARG77 4.7 14.3 1.0
CA A:GLN148 4.8 22.8 1.0
CG A:PHE76 4.8 17.0 1.0
O3A A:GDP501 5.0 13.9 1.0

Fluorine binding site 3 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 3 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:17.6
occ:1.00
F3 A:ALF502 0.0 17.6 1.0
AL A:ALF502 1.8 20.3 1.0
MG A:MG503 2.0 14.1 1.0
F2 A:ALF502 2.5 14.8 1.0
F1 A:ALF502 2.5 22.9 1.0
O3B A:GDP501 2.7 20.1 1.0
O1B A:GDP501 2.8 11.2 1.0
O A:HOH920 2.8 10.3 1.0
OG1 A:THR120 2.9 18.2 1.0
O A:HOH697 3.0 12.8 1.0
CB A:THR120 3.0 18.5 1.0
O A:HOH601 3.1 14.9 1.0
PB A:GDP501 3.3 14.6 1.0
F4 A:ALF502 3.5 17.7 1.0
N A:THR120 3.6 13.1 1.0
O A:THR147 3.8 15.5 1.0
CA A:THR120 3.8 20.9 1.0
NZ A:LYS80 4.0 8.8 1.0
O2B A:GDP501 4.0 17.1 1.0
N A:GLY149 4.1 19.1 1.0
OG A:SER81 4.1 13.0 1.0
O A:THR120 4.2 24.3 1.0
CG2 A:THR120 4.3 15.1 1.0
C A:THR120 4.5 20.9 1.0
CE A:LYS80 4.5 16.1 1.0
O3A A:GDP501 4.7 13.9 1.0
C A:GLU119 4.7 16.0 1.0
CA A:GLN148 4.7 22.8 1.0
NH2 A:ARG77 4.7 16.2 1.0
N A:GLU119 4.8 16.0 1.0
C A:THR147 4.8 15.7 1.0
C A:GLN148 4.9 20.9 1.0
CA A:GLY149 4.9 8.8 1.0

Fluorine binding site 4 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 4 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:17.7
occ:1.00
F4 A:ALF502 0.0 17.7 1.0
AL A:ALF502 1.8 20.3 1.0
F1 A:ALF502 2.5 22.9 1.0
F2 A:ALF502 2.6 14.8 1.0
O3B A:GDP501 2.7 20.1 1.0
O A:HOH697 2.8 12.8 1.0
N A:ARG77 2.8 12.5 1.0
NE A:ARG77 2.9 15.0 1.0
CB A:PHE76 3.3 15.2 1.0
CD2 A:PHE76 3.5 17.8 1.0
F3 A:ALF502 3.5 17.6 1.0
CA A:ARG118 3.6 23.1 1.0
CA A:PHE76 3.6 19.8 1.0
C A:PHE76 3.6 12.1 1.0
CA A:ARG77 3.7 14.3 1.0
NH2 A:ARG77 3.7 16.2 1.0
CB A:ARG118 3.8 19.9 1.0
CZ A:ARG77 3.8 13.3 1.0
CD A:ARG77 3.8 17.6 1.0
CG A:ARG77 3.8 29.4 1.0
CG A:PHE76 3.9 17.0 1.0
O A:HOH625 3.9 9.9 1.0
N A:GLU119 4.0 16.0 1.0
PB A:GDP501 4.1 14.6 1.0
CB A:ARG77 4.3 18.2 1.0
C A:ARG118 4.3 21.7 1.0
N A:ARG118 4.6 18.6 1.0
O2B A:GDP501 4.7 17.1 1.0
CE2 A:PHE76 4.7 23.9 1.0
O A:PHE76 4.8 15.2 1.0
N A:GLY149 4.8 19.1 1.0
NZ A:LYS80 4.9 8.8 1.0
CA A:GLY149 4.9 8.8 1.0
O1B A:GDP501 4.9 11.2 1.0
O3A A:GDP501 5.0 13.9 1.0

Fluorine binding site 5 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 5 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:20.4
occ:1.00
F1 B:ALF502 0.0 20.4 1.0
AL B:ALF502 1.8 17.7 1.0
F4 B:ALF502 2.5 21.4 1.0
F3 B:ALF502 2.5 21.2 1.0
O3B B:GDP501 2.6 10.6 1.0
N B:ARG77 2.8 15.0 1.0
NE B:ARG77 2.8 22.8 1.0
O B:HOH789 2.9 12.2 1.0
CB B:PHE76 3.4 21.4 1.0
CA B:ARG77 3.5 16.7 1.0
CA B:ARG118 3.5 23.0 1.0
F2 B:ALF502 3.6 22.8 1.0
NH2 B:ARG77 3.6 16.3 1.0
CD2 B:PHE76 3.7 22.0 1.0
CZ B:ARG77 3.7 20.4 1.0
C B:PHE76 3.7 19.8 1.0
CD B:ARG77 3.7 16.1 1.0
CA B:PHE76 3.7 16.9 1.0
CG B:ARG77 3.7 31.6 1.0
CB B:ARG118 3.8 25.9 1.0
N B:GLU119 3.9 23.3 1.0
CG B:PHE76 3.9 18.6 1.0
PB B:GDP501 4.1 16.4 1.0
O B:HOH911 4.1 14.5 1.0
CB B:ARG77 4.2 15.8 1.0
C B:ARG118 4.3 21.1 1.0
N B:ARG118 4.5 19.0 1.0
O1B B:GDP501 4.6 27.4 1.0
O B:PHE76 4.8 12.4 1.0
O2B B:GDP501 4.8 13.8 1.0
CE2 B:PHE76 4.8 17.6 1.0
C B:ARG77 4.8 13.0 1.0
O3A B:GDP501 4.9 19.4 1.0
NH1 B:ARG77 4.9 21.7 1.0
NZ B:LYS80 5.0 11.2 1.0
O B:GLU117 5.0 21.2 1.0

Fluorine binding site 6 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 6 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:22.8
occ:1.00
F2 B:ALF502 0.0 22.8 1.0
AL B:ALF502 1.8 17.7 1.0
MG B:MG503 2.1 17.5 1.0
F3 B:ALF502 2.5 21.2 1.0
F4 B:ALF502 2.5 21.4 1.0
O B:HOH789 2.7 12.2 1.0
O3B B:GDP501 2.8 10.6 1.0
O2B B:GDP501 2.8 13.8 1.0
OG1 B:THR120 2.8 17.8 1.0
O B:HOH938 2.9 15.5 1.0
CB B:THR120 3.0 21.3 1.0
O B:HOH601 3.2 18.9 1.0
PB B:GDP501 3.4 16.4 1.0
F1 B:ALF502 3.6 20.4 1.0
N B:THR120 3.6 15.2 1.0
O B:THR147 3.8 17.1 1.0
CA B:THR120 3.8 19.1 1.0
O1B B:GDP501 4.0 27.4 1.0
N B:GLY149 4.1 17.7 1.0
O B:THR120 4.1 13.8 1.0
CG2 B:THR120 4.2 18.6 1.0
OG B:SER81 4.2 13.8 1.0
NZ B:LYS80 4.2 11.2 1.0
C B:THR120 4.4 23.6 1.0
CE B:LYS80 4.6 12.7 1.0
CA B:GLN148 4.7 27.1 1.0
C B:GLU119 4.7 23.9 1.0
C B:THR147 4.8 16.8 1.0
N B:GLU119 4.8 23.3 1.0
O3A B:GDP501 4.8 19.4 1.0
CA B:GLY149 4.8 12.7 1.0
C B:GLN148 4.8 20.6 1.0
NH2 B:ARG77 4.9 16.3 1.0
O1A B:GDP501 4.9 25.6 1.0

Fluorine binding site 7 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 7 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:21.2
occ:1.00
F3 B:ALF502 0.0 21.2 1.0
AL B:ALF502 1.8 17.7 1.0
F2 B:ALF502 2.5 22.8 1.0
F1 B:ALF502 2.5 20.4 1.0
O B:HOH789 2.7 12.2 1.0
O3B B:GDP501 2.7 10.6 1.0
NZ B:LYS80 2.7 11.2 1.0
N B:GLY149 3.0 17.7 1.0
CA B:GLY149 3.1 12.7 1.0
CA B:PHE76 3.2 16.9 1.0
N B:ARG77 3.4 15.0 1.0
CB B:PHE76 3.4 21.4 1.0
O1B B:GDP501 3.5 27.4 1.0
PB B:GDP501 3.6 16.4 1.0
F4 B:ALF502 3.6 21.4 1.0
CE B:LYS80 3.7 12.7 1.0
C B:PHE76 3.8 19.8 1.0
O B:HOH911 3.9 14.5 1.0
O2B B:GDP501 4.0 13.8 1.0
MG B:MG503 4.3 17.5 1.0
C B:GLN148 4.3 20.6 1.0
C B:GLY149 4.3 14.6 1.0
N B:PHE76 4.3 17.0 1.0
O B:ALA75 4.4 12.1 1.0
O B:HOH938 4.4 15.5 1.0
O B:THR147 4.5 17.1 1.0
CA B:ARG77 4.6 16.7 1.0
O B:GLY149 4.7 11.9 1.0
C B:ALA75 4.7 15.6 1.0
CG B:PHE76 4.7 18.6 1.0
CA B:GLN148 4.9 27.1 1.0
O3A B:GDP501 5.0 19.4 1.0

Fluorine binding site 8 out of 8 in 4ido

Go back to Fluorine Binding Sites List in 4ido
Fluorine binding site 8 out of 8 in the Human Atlastin-1 1-446, C-HIS6, GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human Atlastin-1 1-446, C-HIS6, GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:21.4
occ:1.00
F4 B:ALF502 0.0 21.4 1.0
AL B:ALF502 1.8 17.7 1.0
N B:GLU119 2.5 23.3 1.0
F1 B:ALF502 2.5 20.4 1.0
F2 B:ALF502 2.5 22.8 1.0
O B:HOH789 2.8 12.2 1.0
O3B B:GDP501 2.8 10.6 1.0
N B:THR120 2.9 15.2 1.0
NH2 B:ARG77 3.0 16.3 1.0
O B:HOH601 3.1 18.9 1.0
CA B:GLU119 3.2 22.0 1.0
CB B:GLU119 3.2 20.9 1.0
C B:GLU119 3.5 23.9 1.0
F3 B:ALF502 3.6 21.2 1.0
C B:ARG118 3.6 21.1 1.0
MG B:MG503 3.7 17.5 1.0
NE B:ARG77 3.7 22.8 1.0
CZ B:ARG77 3.8 20.4 1.0
CA B:ARG118 3.8 23.0 1.0
OG1 B:THR120 3.9 17.8 1.0
PB B:GDP501 4.0 16.4 1.0
O2B B:GDP501 4.0 13.8 1.0
CA B:THR120 4.0 19.1 1.0
CB B:THR120 4.1 21.3 1.0
O1A B:GDP501 4.2 25.6 1.0
CB B:ARG118 4.3 25.9 1.0
O B:THR120 4.3 13.8 1.0
CG B:GLU119 4.4 19.4 1.0
O B:GLU119 4.7 22.7 1.0
C B:THR120 4.7 23.6 1.0
O B:ARG118 4.7 17.5 1.0
O3A B:GDP501 4.8 19.4 1.0
N B:ARG77 5.0 15.0 1.0

Reference:

L.J.Byrnes, A.Singh, K.Szeto, N.M.Benvin, J.P.O'donnell, W.R.Zipfel, H.Sondermann. Structural Basis For Conformational Switching and Gtp Loading of the Large G Protein Atlastin. Embo J. V. 32 369 2013.
ISSN: ISSN 0261-4189
PubMed: 23334294
DOI: 10.1038/EMBOJ.2012.353
Page generated: Thu Aug 1 02:21:24 2024

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