Fluorine in PDB 8jpe: Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes

The structure of Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes (pdb code 8jpe). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes, PDB code: 8jpe:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes within 5.0Å range: probe atom residue distance (Å) B Occ Q:F403 b:96.7 occ:1.00 F1 Q:ALF403 0.0 96.7 1.0 AL Q:ALF403 1.8 96.7 1.0 O2A Q:GDP401 2.3 99.5 1.0 O2B Q:GDP401 2.3 99.5 1.0 F4 Q:ALF403 2.5 96.7 1.0 F3 Q:ALF403 2.5 96.7 1.0 NH2 Q:ARG183 3.2 103.4 1.0 PB Q:GDP401 3.3 99.5 1.0 O3B Q:GDP401 3.3 99.5 1.0 NH1 Q:ARG183 3.5 103.4 1.0 CZ Q:ARG183 3.5 103.4 1.0 PA Q:GDP401 3.6 99.5 1.0 F2 Q:ALF403 3.6 96.7 1.0 O3A Q:GDP401 3.9 99.5 1.0 MG Q:MG402 3.9 87.4 1.0 N Q:GLU49 3.9 101.9 1.0 CA Q:PRO185 4.1 95.8 1.0 CA Q:GLU49 4.2 101.9 1.0 N Q:THR186 4.3 89.8 1.0 NE Q:ARG183 4.5 103.4 1.0 O5' Q:GDP401 4.5 99.5 1.0 O1A Q:GDP401 4.6 99.5 1.0 O1B Q:GDP401 4.6 99.5 1.0 C5' Q:GDP401 4.6 99.5 1.0 O Q:VAL184 4.7 101.1 1.0 C Q:PRO185 4.8 95.8 1.0 N Q:PRO185 4.9 95.8 1.0 CB Q:PRO185 4.9 95.8 1.0 C Q:GLY48 5.0 92.4 1.0

Fluorine binding site 2 out of 4 in the Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes within 5.0Å range: probe atom residue distance (Å) B Occ Q:F403 b:96.7 occ:1.00 F2 Q:ALF403 0.0 96.7 1.0 AL Q:ALF403 1.8 96.7 1.0 N Q:GLY208 2.4 88.3 1.0 F3 Q:ALF403 2.5 96.7 1.0 F4 Q:ALF403 2.5 96.7 1.0 C Q:GLY207 3.3 80.2 1.0 CA Q:GLY207 3.3 80.2 1.0 CA Q:GLY208 3.3 88.3 1.0 O2B Q:GDP401 3.5 99.5 1.0 F1 Q:ALF403 3.6 96.7 1.0 N Q:GLN209 3.9 89.5 1.0 CA Q:GLY48 4.0 92.4 1.0 C Q:GLY208 4.0 88.3 1.0 O Q:THR186 4.1 89.8 1.0 NZ Q:LYS52 4.2 94.6 1.0 O3B Q:GDP401 4.3 99.5 1.0 O Q:VAL206 4.4 80.0 1.0 O Q:GLY207 4.4 80.2 1.0 PB Q:GDP401 4.4 99.5 1.0 CE Q:LYS52 4.5 94.6 1.0 N Q:GLY207 4.6 80.2 1.0 MG Q:MG402 4.6 87.4 1.0 N Q:GLU49 4.6 101.9 1.0 CG Q:GLN209 4.8 89.5 1.0 O1B Q:GDP401 4.8 99.5 1.0 N Q:THR186 4.8 89.8 1.0 N Q:GLY48 4.8 92.4 1.0 C Q:GLY48 4.9 92.4 1.0 C Q:THR186 4.9 89.8 1.0 C Q:VAL206 4.9 80.0 1.0

Fluorine binding site 3 out of 4 in the Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes within 5.0Å range: probe atom residue distance (Å) B Occ Q:F403 b:96.7 occ:1.00 F3 Q:ALF403 0.0 96.7 1.0 AL Q:ALF403 1.8 96.7 1.0 MG Q:MG402 2.3 87.4 1.0 F2 Q:ALF403 2.5 96.7 1.0 F1 Q:ALF403 2.5 96.7 1.0 O3B Q:GDP401 2.8 99.5 1.0 N Q:THR186 3.0 89.8 1.0 CB Q:THR186 3.2 89.8 1.0 O2B Q:GDP401 3.2 99.5 1.0 CA Q:THR186 3.5 89.8 1.0 PB Q:GDP401 3.6 99.5 1.0 F4 Q:ALF403 3.6 96.7 1.0 OG1 Q:THR186 3.6 89.8 1.0 O Q:THR186 3.7 89.8 1.0 C Q:THR186 4.0 89.8 1.0 O2A Q:GDP401 4.0 99.5 1.0 C Q:PRO185 4.0 95.8 1.0 CA Q:PRO185 4.2 95.8 1.0 OG Q:SER53 4.2 91.8 1.0 CA Q:GLY207 4.5 80.2 1.0 CG2 Q:THR186 4.5 89.8 1.0 O1B Q:GDP401 4.5 99.5 1.0 O Q:VAL184 4.6 101.1 1.0 N Q:GLY208 4.7 88.3 1.0 O Q:VAL206 4.8 80.0 1.0 O3A Q:GDP401 4.8 99.5 1.0 PA Q:GDP401 5.0 99.5 1.0

Fluorine binding site 4 out of 4 in the Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Focused Refinement Structure of Galpha(Q) in NTSR1-GRK2-Galpha(Q) Complexes within 5.0Å range: probe atom residue distance (Å) B Occ Q:F403 b:96.7 occ:1.00 F4 Q:ALF403 0.0 96.7 1.0 AL Q:ALF403 1.8 96.7 1.0 N Q:GLU49 2.5 101.9 1.0 F1 Q:ALF403 2.5 96.7 1.0 F2 Q:ALF403 2.5 96.7 1.0 O2B Q:GDP401 2.7 99.5 1.0 CA Q:GLY48 2.8 92.4 1.0 C Q:GLY48 3.0 92.4 1.0 NH2 Q:ARG183 3.5 103.4 1.0 CA Q:GLU49 3.6 101.9 1.0 F3 Q:ALF403 3.6 96.7 1.0 NE2 Q:GLN209 3.8 89.5 1.0 N Q:GLY48 4.1 92.4 1.0 PB Q:GDP401 4.2 99.5 1.0 O Q:GLY48 4.2 92.4 1.0 CG Q:GLU49 4.3 101.9 1.0 N Q:GLY208 4.3 88.3 1.0 CB Q:GLU49 4.4 101.9 1.0 O2A Q:GDP401 4.5 99.5 1.0 CA Q:GLY208 4.5 88.3 1.0 CZ Q:ARG183 4.6 103.4 1.0 C Q:GLU49 4.7 101.9 1.0 O3B Q:GDP401 4.7 99.5 1.0 N Q:GLN209 4.7 89.5 1.0 O Q:THR47 4.7 88.8 1.0 CD Q:GLN209 4.7 89.5 1.0 C Q:GLY208 4.8 88.3 1.0 NZ Q:LYS52 4.8 94.6 1.0 CG Q:GLN209 4.8 89.5 1.0 N Q:SER50 4.8 97.6 1.0 O1B Q:GDP401 4.9 99.5 1.0 C Q:THR47 4.9 88.8 1.0 NH1 Q:ARG183 4.9 103.4 1.0

J.Duan, H.Liu, F.Zhao, Q.Yuan, Y.Ji, X.Cai, X.He, X.Li, J.Li, K.Wu, T.Gao, S.Zhu, S.Lin, M.W.Wang, X.Cheng, W.Yin, Y.Jiang, D.Yang, H.E.Xu. Gpcr Activation and GRK2 Assembly By A Biased Intracellular Agonist. Nature 2023.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-023-06395-9