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Fluorine in PDB 1agr: Complex of ALF4-Activated Gi-Alpha-1 with RGS4

Protein crystallography data

The structure of Complex of ALF4-Activated Gi-Alpha-1 with RGS4, PDB code: 1agr was solved by J.J.G.Tesmer, S.R.Sprang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 5.00 / 2.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 164.000, 97.200, 110.000, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 29.1

Other elements in 1agr:

The structure of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 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 Complex of ALF4-Activated Gi-Alpha-1 with RGS4 (pdb code 1agr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4, PDB code: 1agr:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 1 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F357

b:9.2
occ:1.00
F1 A:ALF357 0.0 9.2 1.0
AL A:ALF357 1.8 12.3 1.0
O3B A:GDP355 2.4 28.5 1.0
F4 A:ALF357 2.5 8.3 1.0
F2 A:ALF357 2.5 2.6 1.0
NH2 A:ARG178 2.5 11.1 1.0
O A:HOH359A 2.7 22.2 1.0
N A:GLU43 2.8 25.9 1.0
NE2 A:GLN204 3.0 2.4 1.0
CA A:GLY42 3.5 19.1 1.0
CZ A:ARG178 3.5 19.8 1.0
F3 A:ALF357 3.5 19.3 1.0
C A:GLY42 3.5 21.6 1.0
NH1 A:ARG178 3.6 22.4 1.0
CA A:GLU43 3.7 27.7 1.0
CD A:GLN204 3.7 5.4 1.0
PB A:GDP355 3.8 16.9 1.0
OE1 A:GLN204 3.8 8.7 1.0
CG A:GLU43 3.9 39.2 1.0
O A:HOH377 4.2 13.6 1.0
CG A:LYS180 4.3 29.1 1.0
O1B A:GDP355 4.3 7.8 1.0
CB A:GLU43 4.4 28.4 1.0
O A:GLY42 4.6 22.1 1.0
O3A A:GDP355 4.6 11.5 1.0
O2B A:GDP355 4.6 2.0 1.0
N A:GLY203 4.7 12.0 1.0
N A:THR181 4.7 21.3 1.0
NE A:ARG178 4.7 21.4 1.0
CA A:LYS180 4.7 19.4 1.0
CD A:LYS180 4.7 34.1 1.0
O A:HOH365 4.7 11.6 1.0
MG A:MG356 4.8 14.3 1.0
N A:GLY42 4.9 17.8 1.0
CB A:LYS180 4.9 13.6 1.0
C A:GLU43 5.0 26.6 1.0
NZ A:LYS46 5.0 15.0 1.0

Fluorine binding site 2 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 2 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F357

b:2.6
occ:1.00
F2 A:ALF357 0.0 2.6 1.0
AL A:ALF357 1.8 12.3 1.0
F3 A:ALF357 2.4 19.3 1.0
O3B A:GDP355 2.4 28.5 1.0
F1 A:ALF357 2.5 9.2 1.0
NH1 A:ARG178 2.5 22.4 1.0
O A:HOH365 2.6 11.6 1.0
N A:THR181 2.6 21.3 1.0
O A:HOH359A 2.7 22.2 1.0
MG A:MG356 3.0 14.3 1.0
NH2 A:ARG178 3.0 11.1 1.0
CA A:LYS180 3.1 19.4 1.0
CZ A:ARG178 3.2 19.8 1.0
C A:LYS180 3.3 22.1 1.0
OG1 A:THR181 3.4 29.4 1.0
F4 A:ALF357 3.5 8.3 1.0
O2B A:GDP355 3.6 2.0 1.0
PB A:GDP355 3.6 16.9 1.0
CA A:THR181 3.7 21.4 1.0
CB A:THR181 3.7 26.5 1.0
O A:VAL179 3.7 15.9 1.0
CG A:LYS180 3.9 29.1 1.0
CB A:LYS180 4.0 13.6 1.0
N A:LYS180 4.1 18.3 1.0
O2A A:GDP355 4.2 20.3 1.0
C A:VAL179 4.3 13.8 1.0
O A:THR181 4.3 17.8 1.0
O A:LYS180 4.4 27.3 1.0
C A:THR181 4.5 19.6 1.0
NE A:ARG178 4.5 21.4 1.0
O A:HOH364 4.6 15.1 1.0
O3A A:GDP355 4.6 11.5 1.0
O1B A:GDP355 4.8 7.8 1.0
OG A:SER47 4.8 19.6 1.0
NE2 A:GLN204 4.8 2.4 1.0
N A:GLU43 4.8 25.9 1.0
PA A:GDP355 4.9 19.2 1.0
OE1 A:GLN204 5.0 8.7 1.0
CD A:LYS180 5.0 34.1 1.0

Fluorine binding site 3 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 3 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F357

b:19.3
occ:1.00
F3 A:ALF357 0.0 19.3 1.0
AL A:ALF357 1.7 12.3 1.0
MG A:MG356 2.0 14.3 1.0
F2 A:ALF357 2.4 2.6 1.0
F4 A:ALF357 2.4 8.3 1.0
O A:HOH364 2.5 15.1 1.0
O A:HOH359A 2.7 22.2 1.0
O3B A:GDP355 2.8 28.5 1.0
O2B A:GDP355 2.9 2.0 1.0
OG1 A:THR181 2.9 29.4 1.0
CB A:THR181 3.0 26.5 1.0
PB A:GDP355 3.2 16.9 1.0
O A:HOH365 3.3 11.6 1.0
O A:VAL201 3.4 29.0 1.0
F1 A:ALF357 3.5 9.2 1.0
N A:THR181 3.6 21.3 1.0
O1B A:GDP355 3.8 7.8 1.0
OG A:SER47 3.8 19.6 1.0
CA A:THR181 3.8 21.4 1.0
CA A:GLY202 4.0 8.6 1.0
O A:THR181 4.1 17.8 1.0
CE A:LYS46 4.1 19.8 1.0
NZ A:LYS46 4.1 15.0 1.0
N A:GLY203 4.2 12.0 1.0
CG2 A:THR181 4.2 21.1 1.0
C A:VAL201 4.3 23.5 1.0
C A:THR181 4.4 19.6 1.0
C A:GLY202 4.6 11.3 1.0
NH1 A:ARG178 4.6 22.4 1.0
N A:GLY202 4.6 18.1 1.0
O3A A:GDP355 4.7 11.5 1.0
C A:LYS180 4.8 22.1 1.0
CB A:SER47 5.0 24.8 1.0

Fluorine binding site 4 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 4 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F357

b:8.3
occ:1.00
F4 A:ALF357 0.0 8.3 1.0
AL A:ALF357 1.7 12.3 1.0
F3 A:ALF357 2.4 19.3 1.0
F1 A:ALF357 2.5 9.2 1.0
O A:HOH359A 2.6 22.2 1.0
N A:GLY203 2.7 12.0 1.0
NZ A:LYS46 2.9 15.0 1.0
O3B A:GDP355 2.9 28.5 1.0
CA A:GLY203 3.2 12.1 1.0
CA A:GLY42 3.2 19.1 1.0
F2 A:ALF357 3.5 2.6 1.0
O1B A:GDP355 3.5 7.8 1.0
CE A:LYS46 3.6 19.8 1.0
PB A:GDP355 3.6 16.9 1.0
N A:GLU43 3.6 25.9 1.0
C A:GLY202 3.7 11.3 1.0
OE1 A:GLN204 3.9 8.7 1.0
CA A:GLY202 3.9 8.6 1.0
C A:GLY42 4.0 21.6 1.0
O A:VAL201 4.1 29.0 1.0
O A:ALA41 4.2 13.3 1.0
N A:GLY42 4.2 17.8 1.0
O2B A:GDP355 4.2 2.0 1.0
C A:GLY203 4.3 15.0 1.0
MG A:MG356 4.3 14.3 1.0
N A:GLN204 4.3 13.9 1.0
NE2 A:GLN204 4.4 2.4 1.0
CD A:GLN204 4.4 5.4 1.0
O A:HOH364 4.5 15.1 1.0
C A:ALA41 4.5 11.6 1.0
O A:GLY202 4.7 14.2 1.0
CA A:GLU43 4.8 27.7 1.0
NH2 A:ARG178 4.9 11.1 1.0
C A:VAL201 4.9 23.5 1.0
O A:THR181 4.9 17.8 1.0
O A:GLY40 4.9 14.3 1.0
N A:GLY202 4.9 18.1 1.0

Fluorine binding site 5 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 5 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F357

b:22.4
occ:1.00
F1 D:ALF357 0.0 22.4 1.0
AL D:ALF357 1.7 28.8 1.0
O3B D:GDP355 2.3 31.5 1.0
F4 D:ALF357 2.5 18.6 1.0
F2 D:ALF357 2.5 14.2 1.0
NH2 D:ARG178 2.5 11.8 1.0
O D:HOH360D 2.7 25.5 1.0
N D:GLU43 2.8 23.5 1.0
NE2 D:GLN204 3.0 17.3 1.0
CZ D:ARG178 3.4 18.1 1.0
F3 D:ALF357 3.5 21.1 1.0
CA D:GLY42 3.5 22.9 1.0
C D:GLY42 3.6 20.2 1.0
NH1 D:ARG178 3.6 15.3 1.0
CA D:GLU43 3.7 28.3 1.0
PB D:GDP355 3.8 27.5 1.0
CD D:GLN204 3.8 10.6 1.0
OE1 D:GLN204 3.8 15.8 1.0
CG D:GLU43 3.9 43.1 1.0
O D:HOH378 4.1 26.9 1.0
CG D:LYS180 4.3 25.0 1.0
O1B D:GDP355 4.3 17.7 1.0
CB D:GLU43 4.4 28.1 1.0
O3A D:GDP355 4.5 19.4 1.0
N D:THR181 4.6 26.9 1.0
CA D:LYS180 4.6 17.3 1.0
NE D:ARG178 4.6 13.9 1.0
O D:GLY42 4.6 17.7 1.0
O2B D:GDP355 4.7 17.7 1.0
CD D:LYS180 4.7 25.9 1.0
N D:GLY203 4.7 22.9 1.0
O D:HOH366 4.7 14.5 1.0
MG D:MG356 4.8 15.2 1.0
CB D:LYS180 4.9 10.9 1.0
N D:GLY42 5.0 23.1 1.0
C D:GLU43 5.0 31.1 1.0

Fluorine binding site 6 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 6 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F357

b:14.2
occ:1.00
F2 D:ALF357 0.0 14.2 1.0
AL D:ALF357 1.8 28.8 1.0
F3 D:ALF357 2.3 21.1 1.0
O3B D:GDP355 2.4 31.5 1.0
F1 D:ALF357 2.5 22.4 1.0
NH1 D:ARG178 2.5 15.3 1.0
O D:HOH366 2.6 14.5 1.0
N D:THR181 2.6 26.9 1.0
O D:HOH360D 2.7 25.5 1.0
MG D:MG356 3.0 15.2 1.0
NH2 D:ARG178 3.0 11.8 1.0
CA D:LYS180 3.1 17.3 1.0
CZ D:ARG178 3.2 18.1 1.0
C D:LYS180 3.3 24.4 1.0
OG1 D:THR181 3.4 42.7 1.0
F4 D:ALF357 3.5 18.6 1.0
PB D:GDP355 3.6 27.5 1.0
O2B D:GDP355 3.6 17.7 1.0
CA D:THR181 3.7 30.9 1.0
CB D:THR181 3.7 37.7 1.0
O D:VAL179 3.7 20.4 1.0
CG D:LYS180 4.0 25.0 1.0
N D:LYS180 4.1 17.9 1.0
CB D:LYS180 4.1 10.9 1.0
O2A D:GDP355 4.1 30.6 1.0
C D:VAL179 4.3 16.2 1.0
O D:THR181 4.3 21.7 1.0
O3A D:GDP355 4.4 19.4 1.0
O D:LYS180 4.4 34.3 1.0
NE D:ARG178 4.5 13.9 1.0
C D:THR181 4.5 28.3 1.0
O D:HOH365 4.5 18.9 1.0
O1B D:GDP355 4.7 17.7 1.0
OG D:SER47 4.7 24.1 1.0
N D:GLU43 4.8 23.5 1.0
PA D:GDP355 4.8 21.4 1.0
NE2 D:GLN204 4.8 17.3 1.0

Fluorine binding site 7 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 7 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F357

b:21.1
occ:1.00
F3 D:ALF357 0.0 21.1 1.0
AL D:ALF357 1.7 28.8 1.0
MG D:MG356 2.0 15.2 1.0
F2 D:ALF357 2.3 14.2 1.0
O D:HOH365 2.5 18.9 1.0
F4 D:ALF357 2.5 18.6 1.0
O3B D:GDP355 2.7 31.5 1.0
O D:HOH360D 2.8 25.5 1.0
O2B D:GDP355 2.9 17.7 1.0
OG1 D:THR181 2.9 42.7 1.0
CB D:THR181 3.0 37.7 1.0
PB D:GDP355 3.1 27.5 1.0
O D:HOH366 3.3 14.5 1.0
F1 D:ALF357 3.5 22.4 1.0
O D:VAL201 3.5 39.4 1.0
N D:THR181 3.6 26.9 1.0
O1B D:GDP355 3.8 17.7 1.0
OG D:SER47 3.8 24.1 1.0
CA D:THR181 3.8 30.9 1.0
CA D:GLY202 4.1 21.7 1.0
O D:THR181 4.1 21.7 1.0
CE D:LYS46 4.1 34.7 1.0
NZ D:LYS46 4.2 32.9 1.0
CG2 D:THR181 4.2 34.5 1.0
N D:GLY203 4.3 22.9 1.0
C D:VAL201 4.4 33.5 1.0
C D:THR181 4.4 28.3 1.0
NH1 D:ARG178 4.6 15.3 1.0
O3A D:GDP355 4.6 19.4 1.0
C D:GLY202 4.6 22.7 1.0
N D:GLY202 4.7 29.7 1.0
C D:LYS180 4.8 24.4 1.0
CB D:SER47 4.9 32.6 1.0

Fluorine binding site 8 out of 8 in 1agr

Go back to Fluorine Binding Sites List in 1agr
Fluorine binding site 8 out of 8 in the Complex of ALF4-Activated Gi-Alpha-1 with RGS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Complex of ALF4-Activated Gi-Alpha-1 with RGS4 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F357

b:18.6
occ:1.00
F4 D:ALF357 0.0 18.6 1.0
AL D:ALF357 1.7 28.8 1.0
F1 D:ALF357 2.5 22.4 1.0
F3 D:ALF357 2.5 21.1 1.0
O D:HOH360D 2.6 25.5 1.0
N D:GLY203 2.7 22.9 1.0
O3B D:GDP355 2.9 31.5 1.0
NZ D:LYS46 2.9 32.9 1.0
CA D:GLY42 3.2 22.9 1.0
CA D:GLY203 3.2 18.9 1.0
O1B D:GDP355 3.5 17.7 1.0
F2 D:ALF357 3.5 14.2 1.0
N D:GLU43 3.6 23.5 1.0
PB D:GDP355 3.6 27.5 1.0
CE D:LYS46 3.6 34.7 1.0
C D:GLY202 3.7 22.7 1.0
OE1 D:GLN204 3.9 15.8 1.0
C D:GLY42 3.9 20.2 1.0
CA D:GLY202 4.0 21.7 1.0
O D:ALA41 4.1 22.0 1.0
O D:VAL201 4.1 39.4 1.0
N D:GLY42 4.2 23.1 1.0
C D:GLY203 4.3 19.1 1.0
O2B D:GDP355 4.3 17.7 1.0
N D:GLN204 4.3 20.3 1.0
MG D:MG356 4.4 15.2 1.0
NE2 D:GLN204 4.4 17.3 1.0
CD D:GLN204 4.4 10.6 1.0
C D:ALA41 4.5 19.0 1.0
O D:HOH365 4.5 18.9 1.0
O D:GLY202 4.7 24.1 1.0
CA D:GLU43 4.8 28.3 1.0
O D:GLY40 4.9 22.6 1.0
NH2 D:ARG178 4.9 11.8 1.0
O D:THR181 4.9 21.7 1.0
C D:VAL201 5.0 33.5 1.0
N D:GLY202 5.0 29.7 1.0

Reference:

J.J.Tesmer, D.M.Berman, A.G.Gilman, S.R.Sprang. Structure of RGS4 Bound to ALF4--Activated G(I ALPHA1): Stabilization of the Transition State For Gtp Hydrolysis. Cell(Cambridge,Mass.) V. 89 251 1997.
ISSN: ISSN 0092-8674
PubMed: 9108480
DOI: 10.1016/S0092-8674(00)80204-4
Page generated: Sun Dec 13 11:28:10 2020

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