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Fluorine in PDB 6b9f: Human ATL1 Mutant - F151S Bound to GDPALF4-

Protein crystallography data

The structure of Human ATL1 Mutant - F151S Bound to GDPALF4-, PDB code: 6b9f was solved by J.P.O'donnell, H.Sondermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.68 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.613, 115.721, 184.300, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 22.2

Other elements in 6b9f:

The structure of Human ATL1 Mutant - F151S Bound to 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 ATL1 Mutant - F151S Bound to GDPALF4- (pdb code 6b9f). 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 ATL1 Mutant - F151S Bound to GDPALF4-, PDB code: 6b9f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 1 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F507

b:22.4
occ:1.00
F1 A:ALF507 0.0 22.4 1.0
AL A:ALF507 1.8 18.8 1.0
F4 A:ALF507 2.5 20.9 1.0
F3 A:ALF507 2.5 17.8 1.0
N A:GLU119 2.5 17.9 1.0
O3B A:GDP506 2.7 17.8 1.0
O A:HOH658 2.8 17.9 1.0
NH2 A:ARG77 2.9 17.4 1.0
N A:THR120 2.9 22.6 1.0
CA A:GLU119 3.2 22.7 1.0
O A:HOH677 3.2 22.8 1.0
CB A:GLU119 3.2 22.5 1.0
C A:GLU119 3.5 23.6 1.0
F2 A:ALF507 3.6 16.2 1.0
C A:ARG118 3.6 21.0 1.0
MG A:MG505 3.6 19.2 1.0
NE A:ARG77 3.7 17.4 1.0
CZ A:ARG77 3.7 22.1 1.0
CA A:ARG118 3.9 22.6 1.0
PB A:GDP506 4.0 17.5 1.0
OG1 A:THR120 4.0 15.9 1.0
CA A:THR120 4.1 18.6 1.0
CB A:THR120 4.2 18.1 1.0
O1B A:GDP506 4.2 13.1 1.0
CB A:ARG118 4.4 23.8 1.0
CG A:GLU119 4.4 20.7 1.0
O A:THR120 4.4 19.8 1.0
O2A A:GDP506 4.5 20.3 1.0
O A:GLU119 4.7 19.2 1.0
C A:THR120 4.7 17.8 1.0
O3A A:GDP506 4.7 15.2 1.0
O A:ARG118 4.7 26.0 1.0
NH1 A:ARG77 4.9 16.2 1.0
N A:ARG77 5.0 19.9 1.0
CD A:ARG77 5.0 25.0 1.0

Fluorine binding site 2 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 2 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F507

b:16.2
occ:1.00
F2 A:ALF507 0.0 16.2 1.0
AL A:ALF507 1.8 18.8 1.0
F3 A:ALF507 2.5 17.8 1.0
F4 A:ALF507 2.6 20.9 1.0
NZ A:LYS80 2.6 15.3 1.0
O A:HOH658 2.7 17.9 1.0
O3B A:GDP506 2.7 17.8 1.0
N A:GLY149 3.0 26.1 1.0
CA A:GLY149 3.1 15.7 1.0
CA A:PHE76 3.2 16.3 1.0
CB A:PHE76 3.4 16.4 1.0
N A:ARG77 3.4 19.9 1.0
PB A:GDP506 3.5 17.5 1.0
O2B A:GDP506 3.6 17.4 1.0
CE A:LYS80 3.6 14.3 1.0
F1 A:ALF507 3.6 22.4 1.0
C A:PHE76 3.9 17.4 1.0
O A:HOH687 3.9 16.3 1.0
O1B A:GDP506 4.1 13.1 1.0
C A:GLN148 4.2 20.4 1.0
MG A:MG505 4.2 19.2 1.0
N A:PHE76 4.3 14.9 1.0
C A:GLY149 4.3 22.0 1.0
O A:HOH663 4.3 20.2 1.0
O A:ALA75 4.4 15.5 1.0
O A:THR147 4.5 19.5 1.0
CA A:ARG77 4.6 14.4 1.0
C A:ALA75 4.7 14.1 1.0
O A:GLY149 4.7 16.8 1.0
CG A:PHE76 4.8 17.9 1.0
CA A:GLN148 4.8 17.1 1.0
O3A A:GDP506 4.9 15.2 1.0
CD A:LYS80 5.0 24.6 1.0

Fluorine binding site 3 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 3 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F507

b:17.8
occ:1.00
F3 A:ALF507 0.0 17.8 1.0
AL A:ALF507 1.8 18.8 1.0
MG A:MG505 2.0 19.2 1.0
F2 A:ALF507 2.5 16.2 1.0
F1 A:ALF507 2.5 22.4 1.0
O3B A:GDP506 2.6 17.8 1.0
O A:HOH658 2.7 17.9 1.0
O A:HOH663 2.8 20.2 1.0
OG1 A:THR120 2.8 15.9 1.0
O1B A:GDP506 2.9 13.1 1.0
CB A:THR120 3.0 18.1 1.0
PB A:GDP506 3.2 17.5 1.0
O A:HOH677 3.4 22.8 1.0
N A:THR120 3.5 22.6 1.0
F4 A:ALF507 3.5 20.9 1.0
CA A:THR120 3.8 18.6 1.0
O A:THR147 3.8 19.5 1.0
O2B A:GDP506 4.0 17.4 1.0
NZ A:LYS80 4.0 15.3 1.0
OG A:SER81 4.1 21.2 1.0
N A:GLY149 4.1 26.1 1.0
O A:THR120 4.2 19.8 1.0
CG2 A:THR120 4.2 22.1 1.0
CE A:LYS80 4.4 14.3 1.0
C A:THR120 4.5 17.8 1.0
O3A A:GDP506 4.6 15.2 1.0
CA A:GLN148 4.7 17.1 1.0
C A:GLU119 4.7 23.6 1.0
NH2 A:ARG77 4.8 17.4 1.0
N A:GLU119 4.8 17.9 1.0
C A:THR147 4.9 16.7 1.0
C A:GLN148 4.9 20.4 1.0
CA A:GLY149 4.9 15.7 1.0

Fluorine binding site 4 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 4 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F507

b:20.9
occ:1.00
F4 A:ALF507 0.0 20.9 1.0
AL A:ALF507 1.8 18.8 1.0
F1 A:ALF507 2.5 22.4 1.0
F2 A:ALF507 2.6 16.2 1.0
O3B A:GDP506 2.7 17.8 1.0
NE A:ARG77 2.8 17.4 1.0
N A:ARG77 2.9 19.9 1.0
O A:HOH658 2.9 17.9 1.0
CB A:PHE76 3.4 16.4 1.0
F3 A:ALF507 3.5 17.8 1.0
CA A:ARG118 3.6 22.6 1.0
CA A:ARG77 3.6 14.4 1.0
NH2 A:ARG77 3.6 17.4 1.0
CZ A:ARG77 3.6 22.1 1.0
CD2 A:PHE76 3.7 23.2 1.0
C A:PHE76 3.7 17.4 1.0
CD A:ARG77 3.7 25.0 1.0
CG A:ARG77 3.7 33.4 1.0
CA A:PHE76 3.7 16.3 1.0
CB A:ARG118 3.8 23.8 1.0
N A:GLU119 3.9 17.9 1.0
CG A:PHE76 3.9 17.9 1.0
O A:HOH687 4.0 16.3 1.0
PB A:GDP506 4.1 17.5 1.0
CB A:ARG77 4.2 20.1 1.0
C A:ARG118 4.3 21.0 1.0
N A:ARG118 4.6 23.6 1.0
O2B A:GDP506 4.7 17.4 1.0
O A:PHE76 4.8 16.9 1.0
CE2 A:PHE76 4.8 27.4 1.0
NZ A:LYS80 4.9 15.3 1.0
O3A A:GDP506 4.9 15.2 1.0
NH1 A:ARG77 4.9 16.2 1.0
C A:ARG77 5.0 17.2 1.0
O A:GLU117 5.0 22.9 1.0

Fluorine binding site 5 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 5 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F507

b:23.5
occ:1.00
F1 B:ALF507 0.0 23.5 1.0
AL B:ALF507 1.8 22.9 1.0
F4 B:ALF507 2.5 26.1 1.0
F3 B:ALF507 2.5 23.9 1.0
O B:HOH646 2.7 20.8 1.0
O3B B:GDP506 2.7 24.9 1.0
NE B:ARG77 2.9 21.1 1.0
N B:ARG77 2.9 19.6 1.0
CB B:PHE76 3.3 25.4 1.0
CA B:ARG118 3.5 25.6 1.0
F2 B:ALF507 3.6 25.1 1.0
CA B:ARG77 3.7 20.2 1.0
CD2 B:PHE76 3.7 26.2 1.0
CG B:ARG77 3.7 40.0 1.0
CA B:PHE76 3.7 17.2 1.0
C B:PHE76 3.7 19.3 1.0
CB B:ARG118 3.7 25.5 1.0
CD B:ARG77 3.7 23.7 1.0
O B:HOH744 3.8 18.6 1.0
CZ B:ARG77 3.8 24.2 1.0
NH2 B:ARG77 3.8 19.2 1.0
N B:GLU119 3.9 22.7 1.0
CG B:PHE76 4.0 20.7 1.0
PB B:GDP506 4.1 20.5 1.0
CB B:ARG77 4.2 26.9 1.0
C B:ARG118 4.3 29.7 1.0
N B:ARG118 4.6 24.3 1.0
O1B B:GDP506 4.6 17.9 1.0
O B:PHE76 4.8 17.8 1.0
NZ B:LYS80 4.9 17.5 1.0
N B:GLY149 4.9 21.4 1.0
CE2 B:PHE76 4.9 28.7 1.0
O B:GLU117 4.9 27.2 1.0
CA B:GLY149 5.0 21.9 1.0
O3A B:GDP506 5.0 20.5 1.0

Fluorine binding site 6 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 6 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F507

b:25.1
occ:1.00
F2 B:ALF507 0.0 25.1 1.0
AL B:ALF507 1.8 22.9 1.0
MG B:MG505 1.9 23.4 1.0
F4 B:ALF507 2.5 26.1 1.0
F3 B:ALF507 2.6 23.9 1.0
O3B B:GDP506 2.7 24.9 1.0
OG1 B:THR120 2.8 22.8 1.0
O B:HOH646 2.8 20.8 1.0
O2B B:GDP506 2.8 19.8 1.0
O B:HOH681 2.8 20.7 1.0
CB B:THR120 3.0 20.4 1.0
O B:HOH665 3.1 22.4 1.0
PB B:GDP506 3.1 20.5 1.0
F1 B:ALF507 3.6 23.5 1.0
N B:THR120 3.6 29.0 1.0
CA B:THR120 3.8 23.0 1.0
O1B B:GDP506 3.9 17.9 1.0
O B:THR147 3.9 23.9 1.0
NZ B:LYS80 4.0 17.5 1.0
OG B:SER81 4.0 25.2 1.0
N B:GLY149 4.1 21.4 1.0
O B:THR120 4.2 24.2 1.0
CG2 B:THR120 4.2 24.0 1.0
CE B:LYS80 4.3 12.5 1.0
C B:THR120 4.5 27.1 1.0
O3A B:GDP506 4.6 20.5 1.0
C B:GLU119 4.8 34.9 1.0
CA B:GLN148 4.8 19.7 1.0
NH2 B:ARG77 4.8 19.2 1.0
C B:GLN148 4.9 20.4 1.0
C B:THR147 4.9 20.8 1.0
N B:GLU119 4.9 22.7 1.0
CA B:GLY149 4.9 21.9 1.0

Fluorine binding site 7 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 7 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F507

b:23.9
occ:1.00
F3 B:ALF507 0.0 23.9 1.0
AL B:ALF507 1.8 22.9 1.0
F1 B:ALF507 2.5 23.5 1.0
F2 B:ALF507 2.6 25.1 1.0
NZ B:LYS80 2.6 17.5 1.0
O B:HOH646 2.7 20.8 1.0
O3B B:GDP506 2.8 24.9 1.0
N B:GLY149 2.9 21.4 1.0
CA B:GLY149 3.0 21.9 1.0
CA B:PHE76 3.2 17.2 1.0
N B:ARG77 3.4 19.6 1.0
CE B:LYS80 3.4 12.5 1.0
CB B:PHE76 3.4 25.4 1.0
O1B B:GDP506 3.5 17.9 1.0
PB B:GDP506 3.6 20.5 1.0
F4 B:ALF507 3.6 26.1 1.0
O B:HOH744 3.8 18.6 1.0
C B:PHE76 3.8 19.3 1.0
O2B B:GDP506 4.1 19.8 1.0
C B:GLN148 4.2 20.4 1.0
MG B:MG505 4.2 23.4 1.0
O B:ALA75 4.3 20.3 1.0
C B:GLY149 4.3 25.8 1.0
N B:PHE76 4.3 18.1 1.0
O B:HOH681 4.5 20.7 1.0
O B:THR147 4.5 23.9 1.0
CA B:ARG77 4.6 20.2 1.0
C B:ALA75 4.7 18.5 1.0
O B:GLY149 4.8 21.7 1.0
CG B:PHE76 4.8 20.7 1.0
CA B:GLN148 4.8 19.7 1.0
CD B:LYS80 4.9 18.9 1.0
O3A B:GDP506 5.0 20.5 1.0

Fluorine binding site 8 out of 8 in 6b9f

Go back to Fluorine Binding Sites List in 6b9f
Fluorine binding site 8 out of 8 in the Human ATL1 Mutant - F151S Bound to GDPALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human ATL1 Mutant - F151S Bound to GDPALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F507

b:26.1
occ:1.00
F4 B:ALF507 0.0 26.1 1.0
AL B:ALF507 1.8 22.9 1.0
F1 B:ALF507 2.5 23.5 1.0
F2 B:ALF507 2.5 25.1 1.0
O3B B:GDP506 2.6 24.9 1.0
N B:GLU119 2.7 22.7 1.0
O B:HOH646 2.8 20.8 1.0
N B:THR120 2.9 29.0 1.0
NH2 B:ARG77 3.0 19.2 1.0
O B:HOH665 3.0 22.4 1.0
CB B:GLU119 3.2 21.4 1.0
CA B:GLU119 3.2 25.3 1.0
C B:GLU119 3.5 34.9 1.0
MG B:MG505 3.6 23.4 1.0
F3 B:ALF507 3.6 23.9 1.0
NE B:ARG77 3.6 21.1 1.0
CZ B:ARG77 3.7 24.2 1.0
C B:ARG118 3.8 29.7 1.0
PB B:GDP506 3.8 20.5 1.0
OG1 B:THR120 3.8 22.8 1.0
CA B:ARG118 4.0 25.6 1.0
CA B:THR120 4.1 23.0 1.0
O2B B:GDP506 4.1 19.8 1.0
CB B:THR120 4.1 20.4 1.0
O B:THR120 4.4 24.2 1.0
CG B:GLU119 4.4 26.2 1.0
CB B:ARG118 4.4 25.5 1.0
O1A B:GDP506 4.5 20.6 1.0
O3A B:GDP506 4.6 20.5 1.0
O B:GLU119 4.7 28.7 1.0
C B:THR120 4.7 27.1 1.0
O B:ARG118 4.9 25.7 1.0
N B:ARG77 4.9 19.6 1.0
CD B:ARG77 4.9 23.7 1.0
NH1 B:ARG77 4.9 19.8 1.0
O1B B:GDP506 5.0 17.9 1.0

Reference:

J.P.O'donnell, L.J.Byrnes, R.B.Cooley, H.Sondermann. A Hereditary Spastic Paraplegia-Associated Atlastin Variant Exhibits Defective Allosteric Coupling in the Catalytic Core. J. Biol. Chem. V. 293 687 2018.
ISSN: ESSN 1083-351X
PubMed: 29180453
DOI: 10.1074/JBC.RA117.000380
Page generated: Thu Aug 1 18:01:06 2024

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