Fluorine in PDB 8jpc: Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2

Enzymatic activity of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2

All present enzymatic activity of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2:
2.7.11.15;

Other elements in 8jpc:

The structure of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 also contains other interesting chemical elements:

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 (pdb code 8jpc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2, PDB code: 8jpc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 8jpc

Go back to Fluorine Binding Sites List in 8jpc
Fluorine binding site 1 out of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F501

b:54.0
occ:1.00
 F1 R:SRW501 0.0 54.0 1.0
C24 R:SRW501 1.4 40.6 1.0
C14 R:SRW501 2.4 39.7 1.0
C26 R:SRW501 2.4 50.7 1.0
C25 R:SRW501 2.4 51.2 1.0
CD R:ARG166 2.8 48.1 1.0
N2 R:SRW501 3.0 47.8 1.0
NE R:ARG166 3.0 44.9 1.0
N3 R:SRW501 3.4 49.2 1.0
CG R:ARG166 3.8 43.4 1.0
CB R:ARG166 3.9 36.5 1.0
CZ R:ARG166 4.0 37.1 1.0
C13 R:SRW501 4.1 45.0 1.0
CG2 R:ILE259 4.5 53.5 1.0
C15 R:SRW501 4.5 52.1 1.0
CD2 R:LEU305 4.5 33.9 1.0
NH2 R:ARG166 4.6 31.6 1.0
CD1 R:LEU305 4.6 34.3 1.0
C16 R:SRW501 4.7 41.3 1.0
NH1 R:ARG166 4.7 34.0 1.0
CG R:LEU305 4.9 28.4 1.0

Fluorine binding site 2 out of 5 in 8jpc

Go back to Fluorine Binding Sites List in 8jpc
Fluorine binding site 2 out of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 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
F4 Q:ALF403 2.5 96.7 1.0
F3 Q:ALF403 2.5 96.7 1.0
NH2 Q:ARG183 2.8 103.4 1.0
O2B Q:GDP401 2.8 99.5 1.0
O2A Q:GDP401 2.8 99.5 1.0
NH1 Q:ARG183 3.1 103.4 1.0
CZ Q:ARG183 3.2 103.4 1.0
F2 Q:ALF403 3.6 96.7 1.0
CA Q:PRO185 3.8 95.8 1.0
O3B Q:GDP401 3.9 99.5 1.0
PB Q:GDP401 3.9 99.5 1.0
N Q:GLU49 4.0 101.9 1.0
PA Q:GDP401 4.2 99.5 1.0
N Q:THR186 4.2 89.8 1.0
MG Q:MG402 4.3 87.4 1.0
NE Q:ARG183 4.3 103.4 1.0
CA Q:GLU49 4.4 101.9 1.0
CB Q:PRO185 4.4 95.8 1.0
O3A Q:GDP401 4.5 99.5 1.0
C Q:PRO185 4.5 95.8 1.0
N Q:PRO185 4.6 95.8 1.0
O Q:VAL184 4.7 101.1 1.0
CG Q:GLU49 5.0 101.9 1.0
C Q:VAL184 5.0 101.1 1.0
C Q:GLY48 5.0 92.4 1.0

Fluorine binding site 3 out of 5 in 8jpc

Go back to Fluorine Binding Sites List in 8jpc
Fluorine binding site 3 out of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 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
CA Q:GLY207 3.1 80.2 1.0
C Q:GLY207 3.2 80.2 1.0
O2B Q:GDP401 3.3 99.5 1.0
CA Q:GLY208 3.4 88.3 1.0
F1 Q:ALF403 3.6 96.7 1.0
NZ Q:LYS52 3.8 94.6 1.0
O3B Q:GDP401 3.9 99.5 1.0
O Q:VAL206 3.9 80.0 1.0
CE Q:LYS52 4.0 94.6 1.0
PB Q:GDP401 4.1 99.5 1.0
MG Q:MG402 4.2 87.4 1.0
CA Q:GLY48 4.2 92.4 1.0
O Q:THR186 4.2 89.8 1.0
N Q:GLN209 4.3 89.5 1.0
C Q:GLY208 4.3 88.3 1.0
N Q:GLY207 4.3 80.2 1.0
O Q:GLY207 4.3 80.2 1.0
O1B Q:GDP401 4.3 99.5 1.0
C Q:VAL206 4.6 80.0 1.0
N Q:GLU49 4.7 101.9 1.0
CB Q:THR186 4.8 89.8 1.0
N Q:THR186 4.8 89.8 1.0
C Q:THR186 4.9 89.8 1.0

Fluorine binding site 4 out of 5 in 8jpc

Go back to Fluorine Binding Sites List in 8jpc
Fluorine binding site 4 out of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 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
N Q:THR186 2.8 89.8 1.0
O3B Q:GDP401 2.8 99.5 1.0
CB Q:THR186 3.2 89.8 1.0
O2B Q:GDP401 3.3 99.5 1.0
CA Q:THR186 3.4 89.8 1.0
OG1 Q:THR186 3.5 89.8 1.0
F4 Q:ALF403 3.6 96.7 1.0
PB Q:GDP401 3.7 99.5 1.0
O Q:THR186 3.7 89.8 1.0
C Q:PRO185 3.8 95.8 1.0
O2A Q:GDP401 3.9 99.5 1.0
C Q:THR186 3.9 89.8 1.0
CA Q:PRO185 4.0 95.8 1.0
OG Q:SER53 4.2 91.8 1.0
O Q:VAL184 4.3 101.1 1.0
CG2 Q:THR186 4.5 89.8 1.0
O1B Q:GDP401 4.6 99.5 1.0
CA Q:GLY207 4.7 80.2 1.0
O3A Q:GDP401 4.8 99.5 1.0
PA Q:GDP401 4.9 99.5 1.0
N Q:GLY208 4.9 88.3 1.0
O Q:PRO185 4.9 95.8 1.0
CB Q:PRO185 4.9 95.8 1.0

Fluorine binding site 5 out of 5 in 8jpc

Go back to Fluorine Binding Sites List in 8jpc
Fluorine binding site 5 out of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 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
F1 Q:ALF403 2.5 96.7 1.0
F2 Q:ALF403 2.5 96.7 1.0
N Q:GLU49 2.6 101.9 1.0
CA Q:GLY48 2.6 92.4 1.0
O2B Q:GDP401 2.8 99.5 1.0
C Q:GLY48 3.1 92.4 1.0
F3 Q:ALF403 3.6 96.7 1.0
NE2 Q:GLN209 3.8 89.5 1.0
NH2 Q:ARG183 3.8 103.4 1.0
CA Q:GLU49 3.8 101.9 1.0
N Q:GLY208 4.0 88.3 1.0
N Q:GLY48 4.0 92.4 1.0
CA Q:GLY208 4.2 88.3 1.0
PB Q:GDP401 4.2 99.5 1.0
O Q:GLY48 4.3 92.4 1.0
N Q:GLN209 4.4 89.5 1.0
C Q:GLY208 4.5 88.3 1.0
CG Q:GLU49 4.6 101.9 1.0
CG Q:GLN209 4.6 89.5 1.0
NZ Q:LYS52 4.6 94.6 1.0
O Q:THR47 4.6 88.8 1.0
CD Q:GLN209 4.6 89.5 1.0
O2A Q:GDP401 4.7 99.5 1.0
CB Q:GLU49 4.7 101.9 1.0
O3B Q:GDP401 4.7 99.5 1.0
C Q:THR47 4.8 88.8 1.0
O1B Q:GDP401 4.8 99.5 1.0
CZ Q:ARG183 4.9 103.4 1.0
C Q:GLU49 4.9 101.9 1.0
N Q:SER50 5.0 97.6 1.0

Reference:

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
Page generated: Fri Aug 2 20:59:30 2024

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