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Fluorine in PDB 2ik8: Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1

Protein crystallography data

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1, PDB code: 2ik8 was solved by M.Soundararajan, A.P.Turnbull, E.Papagrigoriou, J.Debreczeni, F.Gorrec, F.Von Delft, J.Weigelt, A.Edwards, C.Arrowsmith, M.Sundstrom, D.A.Doyle, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.60 / 2.71
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.656, 104.312, 124.048, 90.00, 90.00, 90.00
R / Rfree (%) 23.3 / 29.1

Other elements in 2ik8:

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1 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 Human RGS16 and Activated Gi Alpha 1 (pdb code 2ik8). 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 Human RGS16 and Activated Gi Alpha 1, PDB code: 2ik8:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 1 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:48.5
occ:1.00
 F1 A:ALF355 0.0 48.5 1.0
AL A:ALF355 1.8 47.6 1.0
MG A:MG356 2.0 52.3 1.0
O A:HOH417 2.3 43.5 1.0
O2B A:GDP401 2.5 40.0 1.0
F3 A:ALF355 2.5 48.1 1.0
F4 A:ALF355 2.6 46.9 1.0
OG1 A:THR181 2.6 61.6 1.0
O A:HOH416 2.7 50.2 1.0
O1B A:GDP401 2.8 37.1 1.0
O A:HOH408 3.1 46.8 1.0
CB A:THR181 3.1 61.5 1.0
PB A:GDP401 3.1 40.2 1.0
O A:VAL201 3.4 62.1 1.0
F2 A:ALF355 3.5 47.8 1.0
NZ A:LYS46 3.6 61.4 1.0
OG A:SER47 3.8 59.1 1.0
O3B A:GDP401 3.9 41.2 1.0
N A:THR181 3.9 60.8 1.0
CA A:GLY202 4.0 62.1 1.0
CA A:THR181 4.1 61.1 1.0
N A:GLY203 4.2 61.9 1.0
O A:THR181 4.3 60.9 1.0
CG2 A:THR181 4.3 60.8 1.0
C A:VAL201 4.4 61.9 1.0
CE A:LYS46 4.5 62.5 1.0
O3A A:GDP401 4.5 40.8 1.0
N A:GLY202 4.6 61.8 1.0
C A:GLY202 4.6 62.0 1.0
C A:THR181 4.7 61.3 1.0
NH1 A:ARG178 4.8 66.4 1.0
CD A:LYS46 4.8 62.5 1.0
OD1 A:ASP200 4.9 68.8 1.0
CB A:SER47 4.9 60.5 1.0

Fluorine binding site 2 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 2 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:47.8
occ:1.00
 F2 A:ALF355 0.0 47.8 1.0
AL A:ALF355 1.8 47.6 1.0
O2B A:GDP401 2.5 40.0 1.0
F4 A:ALF355 2.5 46.9 1.0
F3 A:ALF355 2.6 48.1 1.0
NE2 A:GLN204 2.6 59.4 1.0
O A:HOH416 2.7 50.2 1.0
N A:GLU43 3.0 65.2 1.0
NH2 A:ARG178 3.1 66.4 1.0
NH1 A:ARG178 3.3 66.4 1.0
CA A:GLY42 3.3 64.7 1.0
CD A:GLN204 3.4 61.4 1.0
OE1 A:GLN204 3.4 62.2 1.0
F1 A:ALF355 3.5 48.5 1.0
C A:GLY42 3.6 64.8 1.0
CZ A:ARG178 3.7 65.4 1.0
PB A:GDP401 4.0 40.2 1.0
CA A:GLU43 4.0 65.7 1.0
CG A:GLU43 4.3 67.2 1.0
N A:GLY203 4.5 61.9 1.0
O3B A:GDP401 4.6 41.2 1.0
NZ A:LYS46 4.6 61.4 1.0
CG A:LYS180 4.6 60.3 1.0
O3A A:GDP401 4.6 40.8 1.0
N A:GLY42 4.7 64.5 1.0
CB A:GLU43 4.7 65.9 1.0
O A:GLY42 4.8 64.8 1.0
CG A:GLN204 4.8 61.1 1.0
O A:HOH408 4.8 46.8 1.0
O1B A:GDP401 4.9 37.1 1.0
MG A:MG356 4.9 52.3 1.0
N A:THR181 4.9 60.8 1.0
NE A:ARG178 5.0 62.9 1.0

Fluorine binding site 3 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 3 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:48.1
occ:1.00
 F3 A:ALF355 0.0 48.1 1.0
AL A:ALF355 1.8 47.6 1.0
O A:HOH416 2.3 50.2 1.0
F1 A:ALF355 2.5 48.5 1.0
F2 A:ALF355 2.6 47.8 1.0
N A:THR181 2.6 60.8 1.0
O2B A:GDP401 2.7 40.0 1.0
O A:HOH408 2.8 46.8 1.0
NH1 A:ARG178 3.0 66.4 1.0
OG1 A:THR181 3.1 61.6 1.0
MG A:MG356 3.1 52.3 1.0
CA A:LYS180 3.3 60.0 1.0
C A:LYS180 3.4 60.2 1.0
F4 A:ALF355 3.6 46.9 1.0
CA A:THR181 3.6 61.1 1.0
CB A:THR181 3.6 61.5 1.0
CZ A:ARG178 3.7 65.4 1.0
NH2 A:ARG178 3.7 66.4 1.0
O A:VAL179 3.7 59.4 1.0
PB A:GDP401 3.9 40.2 1.0
O A:THR181 3.9 60.9 1.0
O1B A:GDP401 4.0 37.1 1.0
CG A:LYS180 4.1 60.3 1.0
C A:THR181 4.2 61.3 1.0
CB A:LYS180 4.2 60.0 1.0
N A:LYS180 4.3 59.8 1.0
C A:VAL179 4.4 59.4 1.0
O A:HOH417 4.4 43.5 1.0
OE1 A:GLN204 4.5 62.2 1.0
NE2 A:GLN204 4.5 59.4 1.0
O A:LYS180 4.6 60.1 1.0
O3A A:GDP401 4.6 40.8 1.0
O1A A:GDP401 4.7 41.5 1.0
NE A:ARG178 4.7 62.9 1.0
OG A:SER47 4.9 59.1 1.0
CD A:GLN204 5.0 61.4 1.0

Fluorine binding site 4 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 4 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:46.9
occ:1.00
 F4 A:ALF355 0.0 46.9 1.0
AL A:ALF355 1.8 47.6 1.0
NZ A:LYS46 2.4 61.4 1.0
O2B A:GDP401 2.5 40.0 1.0
F2 A:ALF355 2.5 47.8 1.0
F1 A:ALF355 2.6 48.5 1.0
N A:GLY203 2.7 61.9 1.0
O A:HOH416 2.8 50.2 1.0
CA A:GLY203 3.3 61.9 1.0
CA A:GLY42 3.3 64.7 1.0
PB A:GDP401 3.5 40.2 1.0
CE A:LYS46 3.5 62.5 1.0
O3B A:GDP401 3.6 41.2 1.0
F3 A:ALF355 3.6 48.1 1.0
N A:GLU43 3.6 65.2 1.0
C A:GLY202 3.7 62.0 1.0
C A:GLY42 4.0 64.8 1.0
O A:ALA41 4.0 64.1 1.0
CA A:GLY202 4.0 62.1 1.0
OE1 A:GLN204 4.0 62.2 1.0
N A:GLY42 4.1 64.5 1.0
O1B A:GDP401 4.1 37.1 1.0
O A:VAL201 4.3 62.1 1.0
C A:ALA41 4.3 64.0 1.0
NE2 A:GLN204 4.3 59.4 1.0
C A:GLY203 4.3 61.8 1.0
MG A:MG356 4.4 52.3 1.0
O A:HOH417 4.4 43.5 1.0
CD A:GLN204 4.5 61.4 1.0
N A:GLN204 4.5 61.7 1.0
CD A:LYS46 4.6 62.5 1.0
O A:GLY40 4.7 62.0 1.0
O A:GLY202 4.8 62.2 1.0
CA A:GLU43 4.8 65.7 1.0
O3A A:GDP401 4.9 40.8 1.0

Fluorine binding site 5 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 5 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F355

b:59.1
occ:1.00
 F1 C:ALF355 0.0 59.1 1.0
AL C:ALF355 1.8 58.1 1.0
F4 C:ALF355 2.5 59.1 1.0
O2B C:GDP402 2.6 44.8 1.0
F3 C:ALF355 2.6 59.0 1.0
O C:HOH407 2.6 35.1 1.0
N C:GLY203 2.7 62.0 1.0
NZ C:LYS46 2.9 61.3 1.0
CE C:LYS46 3.3 62.4 1.0
CA C:GLY203 3.4 61.7 1.0
CA C:GLY42 3.4 64.0 1.0
O3B C:GDP402 3.5 45.9 1.0
PB C:GDP402 3.5 46.0 1.0
F2 C:ALF355 3.6 59.3 1.0
C C:GLY202 3.7 62.0 1.0
N C:GLU43 3.8 64.7 1.0
CA C:GLY202 3.9 62.0 1.0
O C:VAL201 4.0 61.7 1.0
OE1 C:GLN204 4.0 61.7 1.0
MG C:MG356 4.1 59.6 1.0
O1B C:GDP402 4.1 46.0 1.0
C C:GLY42 4.1 64.2 1.0
N C:GLY42 4.2 63.8 1.0
O C:ALA41 4.2 63.0 1.0
O C:HOH405 4.3 40.9 1.0
C C:GLY203 4.4 61.6 1.0
N C:GLN204 4.5 61.5 1.0
NE2 C:GLN204 4.5 59.7 1.0
C C:ALA41 4.5 63.2 1.0
CD C:GLN204 4.5 61.6 1.0
CD C:LYS46 4.8 62.3 1.0
O C:GLY202 4.8 62.1 1.0
C C:VAL201 4.9 62.1 1.0
N C:GLY202 4.9 62.0 1.0
O3A C:GDP402 4.9 46.0 1.0
O C:HOH413 4.9 41.9 1.0

Fluorine binding site 6 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 6 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F355

b:59.3
occ:1.00
 F2 C:ALF355 0.0 59.3 1.0
AL C:ALF355 1.8 58.1 1.0
F3 C:ALF355 2.5 59.0 1.0
O2B C:GDP402 2.5 44.8 1.0
F4 C:ALF355 2.5 59.1 1.0
O C:HOH407 2.5 35.1 1.0
O C:HOH413 2.7 41.9 1.0
NH1 C:ARG178 2.7 63.7 1.0
NH2 C:ARG178 3.0 64.3 1.0
N C:THR181 3.0 59.9 1.0
CZ C:ARG178 3.1 63.8 1.0
CA C:LYS180 3.3 59.9 1.0
MG C:MG356 3.3 59.6 1.0
F1 C:ALF355 3.6 59.1 1.0
C C:LYS180 3.6 59.7 1.0
O C:VAL179 3.7 59.4 1.0
PB C:GDP402 3.7 46.0 1.0
CG C:LYS180 3.9 61.1 1.0
OG1 C:THR181 3.9 59.5 1.0
O1B C:GDP402 3.9 46.0 1.0
O1A C:GDP402 4.0 46.5 1.0
CA C:THR181 4.1 60.0 1.0
CB C:LYS180 4.1 60.1 1.0
N C:LYS180 4.2 59.8 1.0
CB C:THR181 4.2 59.7 1.0
NE C:ARG178 4.2 62.9 1.0
C C:VAL179 4.3 59.8 1.0
O3A C:GDP402 4.4 46.0 1.0
O C:THR181 4.4 60.6 1.0
NE2 C:GLN204 4.6 59.7 1.0
OE1 C:GLN204 4.7 61.7 1.0
N C:GLU43 4.7 64.7 1.0
C C:THR181 4.8 60.6 1.0
O C:LYS180 4.9 59.4 1.0
O3B C:GDP402 4.9 45.9 1.0
PA C:GDP402 4.9 46.0 1.0
O C:HOH405 5.0 40.9 1.0

Fluorine binding site 7 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 7 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F355

b:59.0
occ:1.00
 F3 C:ALF355 0.0 59.0 1.0
MG C:MG356 1.7 59.6 1.0
AL C:ALF355 1.8 58.1 1.0
O2B C:GDP402 2.4 44.8 1.0
F2 C:ALF355 2.5 59.3 1.0
F1 C:ALF355 2.6 59.1 1.0
O C:HOH405 2.6 40.9 1.0
O C:HOH407 2.7 35.1 1.0
O C:HOH413 2.7 41.9 1.0
OG1 C:THR181 2.7 59.5 1.0
O1B C:GDP402 2.8 46.0 1.0
CB C:THR181 3.0 59.7 1.0
PB C:GDP402 3.1 46.0 1.0
F4 C:ALF355 3.6 59.1 1.0
N C:THR181 3.6 59.9 1.0
OG C:SER47 3.6 61.3 1.0
O C:VAL201 3.8 61.7 1.0
CA C:THR181 3.8 60.0 1.0
O3B C:GDP402 3.9 45.9 1.0
CE C:LYS46 4.2 62.4 1.0
O C:THR181 4.2 60.6 1.0
CG2 C:THR181 4.3 58.8 1.0
NZ C:LYS46 4.4 61.3 1.0
CA C:GLY202 4.4 62.0 1.0
C C:THR181 4.5 60.6 1.0
O3A C:GDP402 4.5 46.0 1.0
N C:GLY203 4.6 62.0 1.0
NH1 C:ARG178 4.7 63.7 1.0
O1A C:GDP402 4.7 46.5 1.0
C C:VAL201 4.7 62.1 1.0
CB C:SER47 4.7 61.6 1.0
C C:LYS180 4.8 59.7 1.0
O C:VAL179 4.9 59.4 1.0
N C:GLY202 5.0 62.0 1.0

Fluorine binding site 8 out of 8 in 2ik8

Go back to Fluorine Binding Sites List in 2ik8
Fluorine binding site 8 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS16 and Activated Gi Alpha 1


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 Human RGS16 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F355

b:59.1
occ:1.00
 F4 C:ALF355 0.0 59.1 1.0
AL C:ALF355 1.8 58.1 1.0
F2 C:ALF355 2.5 59.3 1.0
O2B C:GDP402 2.5 44.8 1.0
F1 C:ALF355 2.5 59.1 1.0
O C:HOH407 2.6 35.1 1.0
NE2 C:GLN204 2.7 59.7 1.0
N C:GLU43 2.9 64.7 1.0
NH2 C:ARG178 3.0 64.3 1.0
CA C:GLY42 3.1 64.0 1.0
OE1 C:GLN204 3.3 61.7 1.0
CD C:GLN204 3.4 61.6 1.0
C C:GLY42 3.4 64.2 1.0
F3 C:ALF355 3.6 59.0 1.0
NH1 C:ARG178 3.6 63.7 1.0
CZ C:ARG178 3.7 63.8 1.0
CG C:GLU43 3.9 66.8 1.0
CA C:GLU43 3.9 65.5 1.0
PB C:GDP402 4.0 46.0 1.0
CG C:LYS180 4.4 61.1 1.0
CB C:GLU43 4.5 65.3 1.0
N C:GLY42 4.5 63.8 1.0
O3B C:GDP402 4.5 45.9 1.0
N C:GLY203 4.6 62.0 1.0
O C:GLY42 4.6 63.7 1.0
O3A C:GDP402 4.7 46.0 1.0
CG C:GLN204 4.8 61.7 1.0
O C:HOH413 4.8 41.9 1.0
NZ C:LYS46 4.9 61.3 1.0
O1B C:GDP402 4.9 46.0 1.0
MG C:MG356 4.9 59.6 1.0

Reference:

M.Soundararajan, F.S.Willard, A.J.Kimple, A.P.Turnbull, L.J.Ball, G.A.Schoch, C.Gileadi, O.Y.Fedorov, E.F.Dowler, V.A.Higman, S.Q.Hutsell, M.Sundstrom, D.A.Doyle, D.P.Siderovski. Structural Diversity in the Rgs Domain and Its Interaction with Heterotrimeric G Protein Alpha-Subunits. Proc.Natl.Acad.Sci.Usa V. 105 6457 2008.
ISSN: ISSN 0027-8424
PubMed: 18434541
DOI: 10.1073/PNAS.0801508105
Page generated: Wed Jul 31 14:54:33 2024

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