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Fluorine in PDB 2bcj: Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits

Enzymatic activity of Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits

All present enzymatic activity of Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits:
2.7.11.15;

Protein crystallography data

The structure of Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits, PDB code: 2bcj was solved by J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.78 / 3.06
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.918, 129.954, 122.764, 90.00, 95.81, 90.00
R / Rfree (%) 24.3 / 29.2

Other elements in 2bcj:

The structure of Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits (pdb code 2bcj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits, PDB code: 2bcj:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2bcj

Go back to Fluorine Binding Sites List in 2bcj
Fluorine binding site 1 out of 4 in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits


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 G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:F362

b:83.7
occ:1.00
F1 Q:ALF362 0.0 83.7 1.0
AL Q:ALF362 1.8 81.7 1.0
F4 Q:ALF362 2.5 79.7 1.0
F3 Q:ALF362 2.5 83.0 1.0
O Q:HOH363 2.6 68.2 1.0
O3B Q:GDP360 2.8 76.2 1.0
N Q:THR186 2.8 98.2 1.0
O Q:HOH365 2.9 62.2 1.0
NH2 Q:ARG183 2.9 91.1 1.0
NH1 Q:ARG183 3.1 90.0 1.0
CA Q:PRO185 3.2 97.2 1.0
MG Q:MG361 3.4 87.7 1.0
CZ Q:ARG183 3.4 91.3 1.0
C Q:PRO185 3.4 97.5 1.0
F2 Q:ALF362 3.6 83.5 1.0
O Q:THR186 3.6 100.0 1.0
CA Q:THR186 3.8 98.9 1.0
CB Q:PRO185 4.0 97.0 1.0
PB Q:GDP360 4.1 73.0 1.0
CB Q:THR186 4.1 98.6 1.0
C Q:THR186 4.2 99.9 1.0
OG1 Q:THR186 4.3 97.1 1.0
NE2 Q:GLN209 4.3 99.2 1.0
N Q:PRO185 4.3 96.8 1.0
O2B Q:GDP360 4.4 77.9 1.0
O Q:VAL184 4.4 97.1 1.0
OE1 Q:GLN209 4.4 97.8 1.0
O Q:PRO185 4.5 97.4 1.0
O3A Q:GDP360 4.6 74.4 1.0
NE Q:ARG183 4.6 92.6 1.0
O Q:HOH364 4.7 67.3 1.0
C Q:VAL184 4.8 96.8 1.0
CD Q:GLN209 4.8 99.7 1.0
N Q:GLU49 4.8 91.2 1.0
CG Q:PRO185 5.0 97.0 1.0

Fluorine binding site 2 out of 4 in 2bcj

Go back to Fluorine Binding Sites List in 2bcj
Fluorine binding site 2 out of 4 in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits


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 G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:F362

b:83.5
occ:1.00
F2 Q:ALF362 0.0 83.5 1.0
AL Q:ALF362 1.8 81.7 1.0
O3B Q:GDP360 2.3 76.2 1.0
NZ Q:LYS52 2.4 88.6 1.0
F3 Q:ALF362 2.5 83.0 1.0
F4 Q:ALF362 2.6 79.7 1.0
N Q:GLY208 2.9 0.8 1.0
O Q:HOH363 3.0 68.2 1.0
CE Q:LYS52 3.1 89.0 1.0
CA Q:GLY208 3.3 0.8 1.0
CA Q:GLY48 3.3 92.0 1.0
N Q:GLU49 3.4 91.2 1.0
PB Q:GDP360 3.4 73.0 1.0
O1B Q:GDP360 3.5 73.7 1.0
F1 Q:ALF362 3.6 83.7 1.0
C Q:GLY48 3.8 91.5 1.0
O Q:THR47 3.9 92.5 1.0
C Q:GLY207 3.9 0.1 1.0
N Q:GLY48 4.1 92.2 1.0
O2B Q:GDP360 4.1 77.9 1.0
MG Q:MG361 4.2 87.7 1.0
OE1 Q:GLN209 4.2 97.8 1.0
CA Q:GLY207 4.3 0.7 1.0
O Q:VAL206 4.3 0.1 1.0
C Q:THR47 4.3 92.6 1.0
O Q:HOH364 4.3 67.3 1.0
C Q:GLY208 4.4 0.5 1.0
NE2 Q:GLN209 4.4 99.2 1.0
CD Q:LYS52 4.5 89.7 1.0
CA Q:GLU49 4.5 91.1 1.0
O3A Q:GDP360 4.7 74.4 1.0
O Q:GLY46 4.7 93.9 1.0
CD Q:GLN209 4.7 99.7 1.0
N Q:GLN209 4.7 0.3 1.0
N Q:SER50 4.8 90.6 1.0
O Q:GLY207 4.9 0.0 1.0
O Q:GLY48 4.9 91.5 1.0
CG Q:LYS52 5.0 88.9 1.0

Fluorine binding site 3 out of 4 in 2bcj

Go back to Fluorine Binding Sites List in 2bcj
Fluorine binding site 3 out of 4 in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits


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 G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:F362

b:83.0
occ:1.00
F3 Q:ALF362 0.0 83.0 1.0
AL Q:ALF362 1.8 81.7 1.0
MG Q:MG361 2.0 87.7 1.0
O3B Q:GDP360 2.3 76.2 1.0
O Q:HOH364 2.5 67.3 1.0
F2 Q:ALF362 2.5 83.5 1.0
F1 Q:ALF362 2.5 83.7 1.0
O Q:HOH363 2.9 68.2 1.0
O2B Q:GDP360 3.1 77.9 1.0
O Q:HOH365 3.2 62.2 1.0
PB Q:GDP360 3.2 73.0 1.0
CB Q:THR186 3.3 98.6 1.0
O Q:VAL206 3.3 0.1 1.0
OG1 Q:THR186 3.5 97.1 1.0
F4 Q:ALF362 3.6 79.7 1.0
N Q:THR186 3.8 98.2 1.0
CA Q:GLY207 3.8 0.7 1.0
O Q:THR186 3.9 100.0 1.0
CE Q:LYS52 3.9 89.0 1.0
CA Q:THR186 4.0 98.9 1.0
N Q:GLY208 4.0 0.8 1.0
O1B Q:GDP360 4.1 73.7 1.0
OG Q:SER53 4.1 91.5 1.0
NZ Q:LYS52 4.1 88.6 1.0
C Q:VAL206 4.2 0.3 1.0
C Q:THR186 4.3 99.9 1.0
C Q:GLY207 4.4 0.1 1.0
N Q:GLY207 4.4 0.9 1.0
CG2 Q:THR186 4.4 98.1 1.0
O3A Q:GDP360 4.5 74.4 1.0
NH1 Q:ARG183 4.7 90.0 1.0
C Q:PRO185 4.9 97.5 1.0
OD1 Q:ASP205 5.0 0.2 1.0

Fluorine binding site 4 out of 4 in 2bcj

Go back to Fluorine Binding Sites List in 2bcj
Fluorine binding site 4 out of 4 in the Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits


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 G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-Q and Gbetagamma Subunits within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:F362

b:79.7
occ:1.00
F4 Q:ALF362 0.0 79.7 1.0
AL Q:ALF362 1.8 81.7 1.0
NE2 Q:GLN209 2.5 99.2 1.0
F1 Q:ALF362 2.5 83.7 1.0
F2 Q:ALF362 2.6 83.5 1.0
O Q:HOH363 2.7 68.2 1.0
O3B Q:GDP360 2.8 76.2 1.0
N Q:GLU49 2.9 91.2 1.0
NH2 Q:ARG183 2.9 91.1 1.0
CD Q:GLN209 3.3 99.7 1.0
CA Q:GLY48 3.3 92.0 1.0
OE1 Q:GLN209 3.3 97.8 1.0
C Q:GLY48 3.6 91.5 1.0
F3 Q:ALF362 3.6 83.0 1.0
CZ Q:ARG183 3.8 91.3 1.0
NH1 Q:ARG183 3.8 90.0 1.0
CA Q:GLU49 3.9 91.1 1.0
CG Q:GLU49 3.9 91.2 1.0
PB Q:GDP360 4.3 73.0 1.0
N Q:GLY208 4.3 0.8 1.0
CB Q:GLU49 4.5 91.0 1.0
N Q:GLY48 4.6 92.2 1.0
CG Q:GLN209 4.7 0.8 1.0
CA Q:GLY208 4.7 0.8 1.0
O Q:GLY48 4.8 91.5 1.0
O3A Q:GDP360 4.8 74.4 1.0
NZ Q:LYS52 4.8 88.6 1.0
O1B Q:GDP360 4.9 73.7 1.0
N Q:GLN209 4.9 0.3 1.0
O Q:HOH365 4.9 62.2 1.0

Reference:

V.M.Tesmer, T.Kawano, A.Shankaranarayanan, T.Kozasa, J.J.G.Tesmer. Snapshot of Activated G Proteins at the Membrane: the Gq-GRK2-G Complex Science V. 310 1686 2005.
ISSN: ISSN 0036-8075
PubMed: 16339447
DOI: 10.1126/SCIENCE.1118890
Page generated: Sun Dec 13 11:35:09 2020

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