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Fluorine in PDB 1fqk: Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]

Protein crystallography data

The structure of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)], PDB code: 1fqk was solved by K.C.Slep, M.A.Kercher, W.He, C.W.Cowan, T.G.Wensel, P.B.Sigler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 96.785, 115.073, 136.460, 90.00, 90.00, 90.00
R / Rfree (%) 23.1 / 26.8

Other elements in 1fqk:

The structure of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] 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 Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] (pdb code 1fqk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)], PDB code: 1fqk:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 1fqk

Go back to Fluorine Binding Sites List in 1fqk
Fluorine binding site 1 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F362

b:55.0
occ:1.00
 F1 A:ALF362 0.0 55.0 1.0
AL A:ALF362 1.7 51.9 1.0
MG A:MG352 2.4 47.9 1.0
O A:HOH365 2.4 49.8 1.0
F4 A:ALF362 2.4 50.2 1.0
F3 A:ALF362 2.5 49.8 1.0
O2B A:GDP360 2.6 53.9 1.0
OG1 A:THR177 2.6 58.8 1.0
O A:HOH363 3.0 56.8 1.0
PB A:GDP360 3.3 56.3 1.0
O3B A:GDP360 3.3 57.0 1.0
F2 A:ALF362 3.5 55.2 1.0
NZ A:LYS42 3.6 50.0 1.0
O A:HOH364 3.6 44.7 1.0
O A:VAL197 3.7 58.7 1.0
CE A:LYS42 3.8 44.6 1.0
CB A:THR177 3.9 57.3 1.0
O1B A:GDP360 4.1 60.8 1.0
N A:THR177 4.1 49.1 1.0
N A:GLY199 4.3 52.6 1.0
CA A:GLY198 4.3 54.2 1.0
OG A:SER43 4.4 53.8 1.0
O A:THR177 4.4 50.4 1.0
CG2 A:THR177 4.5 61.7 1.0
CA A:THR177 4.5 51.2 1.0
O3A A:GDP360 4.6 54.3 1.0
NH1 A:ARG174 4.7 45.0 1.0
C A:GLY198 4.7 53.5 1.0
C A:VAL197 4.8 56.3 1.0
O2A A:GDP360 4.8 52.0 1.0
C A:THR177 4.9 52.4 1.0
CB A:LYS42 4.9 47.2 1.0
OD2 A:ASP196 5.0 57.3 1.0
CB A:SER43 5.0 49.8 1.0
N A:SER43 5.0 52.1 1.0

Fluorine binding site 2 out of 8 in 1fqk

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Fluorine binding site 2 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F362

b:55.2
occ:1.00
 F2 A:ALF362 0.0 55.2 1.0
AL A:ALF362 1.8 51.9 1.0
F3 A:ALF362 2.4 49.8 1.0
F4 A:ALF362 2.5 50.2 1.0
O A:HOH363 2.6 56.8 1.0
NE2 A:GLN200 2.8 45.9 1.0
N A:GLU39 3.0 39.8 1.0
NH2 A:ARG174 3.0 42.7 1.0
O3B A:GDP360 3.1 57.0 1.0
CA A:GLY38 3.3 43.6 1.0
OE1 A:GLN200 3.4 55.4 1.0
F1 A:ALF362 3.5 55.0 1.0
CD A:GLN200 3.5 51.4 1.0
C A:GLY38 3.6 44.5 1.0
NH1 A:ARG174 3.7 45.0 1.0
CZ A:ARG174 3.8 42.4 1.0
CG A:GLU39 3.9 51.4 1.0
CA A:GLU39 4.0 42.2 1.0
CG A:LYS176 4.2 42.8 1.0
PB A:GDP360 4.4 56.3 1.0
CB A:GLU39 4.5 45.9 1.0
N A:GLY199 4.5 52.6 1.0
O2B A:GDP360 4.6 53.9 1.0
N A:GLY38 4.7 46.0 1.0
O A:GLY38 4.7 47.3 1.0
O A:HOH400 4.7 52.9 1.0
CA A:GLY199 4.9 49.9 1.0
NZ A:LYS42 4.9 50.0 1.0
CA A:LYS176 5.0 45.8 1.0
CG A:GLN200 5.0 46.5 1.0

Fluorine binding site 3 out of 8 in 1fqk

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Fluorine binding site 3 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F362

b:49.8
occ:1.00
 F3 A:ALF362 0.0 49.8 1.0
AL A:ALF362 1.8 51.9 1.0
F2 A:ALF362 2.4 55.2 1.0
F1 A:ALF362 2.5 55.0 1.0
NZ A:LYS42 2.6 50.0 1.0
O3B A:GDP360 2.7 57.0 1.0
N A:GLY199 2.9 52.6 1.0
O A:HOH363 3.0 56.8 1.0
CA A:GLY38 3.2 43.6 1.0
CA A:GLY199 3.3 49.9 1.0
N A:GLU39 3.4 39.8 1.0
F4 A:ALF362 3.5 50.2 1.0
CE A:LYS42 3.6 44.6 1.0
PB A:GDP360 3.6 56.3 1.0
O A:ALA37 3.7 46.6 1.0
C A:GLY38 3.8 44.5 1.0
O2B A:GDP360 3.9 53.9 1.0
C A:GLY198 4.0 53.5 1.0
N A:GLY38 4.0 46.0 1.0
O1B A:GDP360 4.0 60.8 1.0
C A:ALA37 4.1 46.4 1.0
OE1 A:GLN200 4.3 55.4 1.0
C A:GLY199 4.3 50.9 1.0
NE2 A:GLN200 4.4 45.9 1.0
O A:HOH365 4.4 49.8 1.0
CA A:GLY198 4.4 54.2 1.0
N A:GLN200 4.6 48.8 1.0
CA A:GLU39 4.6 42.2 1.0
CD A:GLN200 4.7 51.4 1.0
O A:GLY36 4.7 46.6 1.0
O A:VAL197 4.7 58.7 1.0
MG A:MG352 4.8 47.9 1.0
OG1 A:THR177 4.8 58.8 1.0
CD A:LYS42 4.9 44.1 1.0
O A:GLY198 4.9 59.1 1.0
O3A A:GDP360 4.9 54.3 1.0

Fluorine binding site 4 out of 8 in 1fqk

Go back to Fluorine Binding Sites List in 1fqk
Fluorine binding site 4 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F362

b:50.2
occ:1.00
 F4 A:ALF362 0.0 50.2 1.0
AL A:ALF362 1.8 51.9 1.0
F1 A:ALF362 2.4 55.0 1.0
F2 A:ALF362 2.5 55.2 1.0
O A:HOH363 2.7 56.8 1.0
NH1 A:ARG174 2.8 45.0 1.0
O A:HOH364 2.9 44.7 1.0
N A:THR177 3.0 49.1 1.0
MG A:MG352 3.1 47.9 1.0
NH2 A:ARG174 3.2 42.7 1.0
CZ A:ARG174 3.4 42.4 1.0
CA A:LYS176 3.4 45.8 1.0
OG1 A:THR177 3.5 58.8 1.0
F3 A:ALF362 3.5 49.8 1.0
O2B A:GDP360 3.6 53.9 1.0
O A:VAL175 3.6 45.7 1.0
O3B A:GDP360 3.6 57.0 1.0
C A:LYS176 3.7 47.0 1.0
CG A:LYS176 4.0 42.8 1.0
O2A A:GDP360 4.1 52.0 1.0
PB A:GDP360 4.1 56.3 1.0
CA A:THR177 4.1 51.2 1.0
CB A:THR177 4.2 57.3 1.0
CB A:LYS176 4.3 43.1 1.0
N A:LYS176 4.3 44.3 1.0
O A:THR177 4.4 50.4 1.0
C A:VAL175 4.4 43.3 1.0
O A:HOH365 4.5 49.8 1.0
CG2 A:THR177 4.5 61.7 1.0
NE A:ARG174 4.6 43.7 1.0
O3A A:GDP360 4.7 54.3 1.0
C A:THR177 4.7 52.4 1.0
OE1 A:GLN200 4.8 55.4 1.0
N A:GLU39 4.9 39.8 1.0
O A:LYS176 4.9 47.1 1.0
NE2 A:GLN200 4.9 45.9 1.0

Fluorine binding site 5 out of 8 in 1fqk

Go back to Fluorine Binding Sites List in 1fqk
Fluorine binding site 5 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F363

b:52.2
occ:1.00
 F1 C:ALF363 0.0 52.2 1.0
AL C:ALF363 1.7 52.5 1.0
MG C:MG352 2.3 58.0 1.0
F4 C:ALF363 2.4 55.4 1.0
O C:HOH366 2.5 45.5 1.0
F3 C:ALF363 2.6 44.4 1.0
O2B C:GDP361 2.7 55.7 1.0
O C:HOH364 2.7 49.8 1.0
OG1 C:THR177 2.9 49.8 1.0
O C:HOH365 3.0 40.8 1.0
CB C:THR177 3.1 46.6 1.0
F2 C:ALF363 3.5 53.3 1.0
PB C:GDP361 3.5 61.0 1.0
O3B C:GDP361 3.6 66.0 1.0
N C:THR177 3.6 44.6 1.0
CA C:THR177 3.9 45.2 1.0
O C:VAL197 4.0 52.8 1.0
NZ C:LYS42 4.2 41.1 1.0
CE C:LYS42 4.3 41.6 1.0
O C:THR177 4.3 47.7 1.0
CA C:GLY198 4.4 44.9 1.0
O1B C:GDP361 4.4 67.2 1.0
CG2 C:THR177 4.4 42.7 1.0
NH1 C:ARG174 4.5 40.9 1.0
N C:GLY199 4.5 42.4 1.0
OG C:SER43 4.5 60.2 1.0
C C:THR177 4.6 47.6 1.0
O2A C:GDP361 4.7 56.7 1.0
O3A C:GDP361 4.7 58.3 1.0
C C:LYS176 4.7 49.1 1.0
O C:VAL175 4.9 49.0 1.0
C C:VAL197 4.9 53.0 1.0
CB C:SER43 4.9 53.3 1.0
C C:GLY198 4.9 40.4 1.0
CA C:LYS176 5.0 47.5 1.0

Fluorine binding site 6 out of 8 in 1fqk

Go back to Fluorine Binding Sites List in 1fqk
Fluorine binding site 6 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F363

b:53.3
occ:1.00
 F2 C:ALF363 0.0 53.3 1.0
AL C:ALF363 1.8 52.5 1.0
F3 C:ALF363 2.5 44.4 1.0
F4 C:ALF363 2.5 55.4 1.0
O C:HOH364 2.6 49.8 1.0
NE2 C:GLN200 2.7 45.6 1.0
N C:GLU39 2.9 46.2 1.0
O3B C:GDP361 3.1 66.0 1.0
CA C:GLY38 3.1 44.2 1.0
NH2 C:ARG174 3.3 41.6 1.0
OE1 C:GLN200 3.4 46.2 1.0
CD C:GLN200 3.4 43.8 1.0
C C:GLY38 3.5 49.7 1.0
F1 C:ALF363 3.5 52.2 1.0
NH1 C:ARG174 3.9 40.9 1.0
CA C:GLU39 4.0 45.7 1.0
CZ C:ARG174 4.0 47.7 1.0
CG C:GLU39 4.2 47.4 1.0
CG C:LYS176 4.3 41.5 1.0
PB C:GDP361 4.4 61.0 1.0
N C:GLY199 4.4 42.4 1.0
N C:GLY38 4.4 46.8 1.0
O C:HOH385 4.5 49.0 1.0
O2B C:GDP361 4.6 55.7 1.0
CB C:GLU39 4.6 46.8 1.0
O C:GLY38 4.7 48.0 1.0
N C:GLN200 4.8 39.4 1.0
CA C:GLY199 4.8 44.3 1.0
NZ C:LYS42 4.8 41.1 1.0
CD C:LYS176 4.8 42.4 1.0
CG C:GLN200 4.9 43.8 1.0
O C:ALA37 4.9 52.2 1.0

Fluorine binding site 7 out of 8 in 1fqk

Go back to Fluorine Binding Sites List in 1fqk
Fluorine binding site 7 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F363

b:44.4
occ:1.00
 F3 C:ALF363 0.0 44.4 1.0
AL C:ALF363 1.8 52.5 1.0
F2 C:ALF363 2.5 53.3 1.0
F1 C:ALF363 2.6 52.2 1.0
NZ C:LYS42 2.7 41.1 1.0
O3B C:GDP361 2.7 66.0 1.0
O C:HOH364 2.7 49.8 1.0
N C:GLY199 2.9 42.4 1.0
CE C:LYS42 3.2 41.6 1.0
CA C:GLY199 3.4 44.3 1.0
CA C:GLY38 3.5 44.2 1.0
F4 C:ALF363 3.5 55.4 1.0
PB C:GDP361 3.6 61.0 1.0
O2B C:GDP361 3.7 55.7 1.0
N C:GLU39 3.8 46.2 1.0
O C:HOH366 3.8 45.5 1.0
O C:ALA37 3.8 52.2 1.0
C C:GLY198 3.9 40.4 1.0
O1B C:GDP361 4.1 67.2 1.0
C C:GLY38 4.1 49.7 1.0
N C:GLY38 4.2 46.8 1.0
O C:VAL197 4.2 52.8 1.0
CA C:GLY198 4.2 44.9 1.0
OE1 C:GLN200 4.3 46.2 1.0
C C:ALA37 4.3 49.6 1.0
C C:GLY199 4.4 46.2 1.0
NE2 C:GLN200 4.5 45.6 1.0
MG C:MG352 4.5 58.0 1.0
N C:GLN200 4.6 39.4 1.0
O C:GLY36 4.6 49.3 1.0
CD C:LYS42 4.7 42.8 1.0
CD C:GLN200 4.7 43.8 1.0
CA C:GLU39 4.9 45.7 1.0
O C:GLY198 4.9 45.7 1.0
O3A C:GDP361 5.0 58.3 1.0

Fluorine binding site 8 out of 8 in 1fqk

Go back to Fluorine Binding Sites List in 1fqk
Fluorine binding site 8 out of 8 in the Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the Heterodimeric Complex of the Rgs Domain of RGS9, and the Gt/I1 Chimera Alpha Subunit [(RGS9)-(Gt/I1ALPHA)-(Gdp)- (ALF4-)-(MG2+)] within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F363

b:55.4
occ:1.00
 F4 C:ALF363 0.0 55.4 1.0
AL C:ALF363 1.7 52.5 1.0
F1 C:ALF363 2.4 52.2 1.0
F2 C:ALF363 2.5 53.3 1.0
NH1 C:ARG174 2.6 40.9 1.0
O C:HOH364 2.7 49.8 1.0
N C:THR177 3.0 44.6 1.0
O C:HOH365 3.0 40.8 1.0
NH2 C:ARG174 3.0 41.6 1.0
CA C:LYS176 3.1 47.5 1.0
CZ C:ARG174 3.2 47.7 1.0
F3 C:ALF363 3.5 44.4 1.0
C C:LYS176 3.6 49.1 1.0
O C:VAL175 3.6 49.0 1.0
O2B C:GDP361 3.7 55.7 1.0
CG C:LYS176 3.7 41.5 1.0
O3B C:GDP361 3.8 66.0 1.0
CB C:LYS176 3.9 45.5 1.0
OG1 C:THR177 4.0 49.8 1.0
MG C:MG352 4.0 58.0 1.0
CA C:THR177 4.1 45.2 1.0
O2A C:GDP361 4.1 56.7 1.0
N C:LYS176 4.1 47.9 1.0
CB C:THR177 4.2 46.6 1.0
C C:VAL175 4.3 48.8 1.0
PB C:GDP361 4.3 61.0 1.0
NE C:ARG174 4.5 46.9 1.0
O C:THR177 4.5 47.7 1.0
NE2 C:GLN200 4.6 45.6 1.0
OE1 C:GLN200 4.7 46.2 1.0
N C:GLU39 4.7 46.2 1.0
O C:LYS176 4.8 47.0 1.0
C C:THR177 4.8 47.6 1.0
O3A C:GDP361 4.8 58.3 1.0
O C:HOH366 4.9 45.5 1.0
CD C:LYS176 4.9 42.4 1.0

Reference:

K.C.Slep, M.A.Kercher, W.He, C.W.Cowan, T.G.Wensel, P.B.Sigler. Structural Determinants For Regulation of Phosphodiesterase By A G Protein at 2.0 A. Nature V. 409 1071 2001.
ISSN: ISSN 0028-0836
PubMed: 11234020
DOI: 10.1038/35059138
Page generated: Sun Dec 13 11:29:33 2020

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