Fluorine in PDB 8hmp: GPR52 with Gs and C17

Fluorine Binding Sites:

The binding sites of Fluorine atom in the GPR52 with Gs and C17 (pdb code 8hmp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the GPR52 with Gs and C17, PDB code: 8hmp:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8hmp

Go back to Fluorine Binding Sites List in 8hmp
Fluorine binding site 1 out of 3 in the GPR52 with Gs and C17


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of GPR52 with Gs and C17 within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F401

b:94.2
occ:1.00
F1 R:EN6401 0.0 94.2 1.0
C16 R:EN6401 1.3 94.2 1.0
F2 R:EN6401 2.1 94.2 1.0
F3 R:EN6401 2.1 94.2 1.0
C14 R:EN6401 2.4 94.2 1.0
C15 R:EN6401 3.1 94.2 1.0
CZ R:PHE117 3.2 83.2 1.0
CG2 R:ILE189 3.3 91.3 1.0
CD1 R:ILE189 3.3 91.3 1.0
C13 R:EN6401 3.4 94.2 1.0
CG1 R:ILE189 3.8 91.3 1.0
O R:HIS186 3.8 81.3 1.0
CE2 R:PHE117 3.9 83.2 1.0
CG2 R:THR98 4.0 105.2 1.0
CB R:ILE189 4.1 91.3 1.0
CE1 R:PHE117 4.2 83.2 1.0
SG R:CYS94 4.4 98.2 1.0
C10 R:EN6401 4.4 94.2 1.0
CG2 R:ILE47 4.5 103.8 1.0
C12 R:EN6401 4.6 94.2 1.0
O R:CYS94 4.8 98.2 1.0
CD1 R:ILE47 4.8 103.8 1.0
CB R:CYS94 4.8 98.2 1.0
CD1 R:ILE307 4.9 87.5 1.0
C R:HIS186 4.9 81.3 1.0
C11 R:EN6401 5.0 94.2 1.0

Fluorine binding site 2 out of 3 in 8hmp

Go back to Fluorine Binding Sites List in 8hmp
Fluorine binding site 2 out of 3 in the GPR52 with Gs and C17


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of GPR52 with Gs and C17 within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F401

b:94.2
occ:1.00
F2 R:EN6401 0.0 94.2 1.0
C16 R:EN6401 1.3 94.2 1.0
F1 R:EN6401 2.1 94.2 1.0
F3 R:EN6401 2.1 94.2 1.0
C14 R:EN6401 2.4 94.2 1.0
C15 R:EN6401 3.0 94.2 1.0
CZ R:PHE117 3.2 83.2 1.0
O R:HIS186 3.3 81.3 1.0
CD1 R:ILE307 3.4 87.5 1.0
C13 R:EN6401 3.5 94.2 1.0
SG R:CYS94 3.6 98.2 1.0
CE2 R:PHE117 3.7 83.2 1.0
C R:HIS186 4.0 81.3 1.0
CB R:HIS186 4.1 81.3 1.0
ND1 R:HIS186 4.1 81.3 1.0
CA R:HIS186 4.1 81.3 1.0
CE1 R:PHE117 4.2 83.2 1.0
C10 R:EN6401 4.3 94.2 1.0
CG R:HIS186 4.5 81.3 1.0
C12 R:EN6401 4.7 94.2 1.0
CG2 R:ILE121 4.7 74.2 1.0
CB R:CYS94 4.7 98.2 1.0
CG1 R:ILE121 4.8 74.2 1.0
CG1 R:ILE307 4.8 87.5 1.0
CG2 R:ILE189 4.9 91.3 1.0
CD1 R:ILE189 4.9 91.3 1.0
C11 R:EN6401 5.0 94.2 1.0

Fluorine binding site 3 out of 3 in 8hmp

Go back to Fluorine Binding Sites List in 8hmp
Fluorine binding site 3 out of 3 in the GPR52 with Gs and C17


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of GPR52 with Gs and C17 within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F401

b:94.2
occ:1.00
F3 R:EN6401 0.0 94.2 1.0
C16 R:EN6401 1.3 94.2 1.0
F2 R:EN6401 2.1 94.2 1.0
F1 R:EN6401 2.1 94.2 1.0
C14 R:EN6401 2.4 94.2 1.0
C13 R:EN6401 2.7 94.2 1.0
SG R:CYS94 3.1 98.2 1.0
CD1 R:ILE307 3.2 87.5 1.0
CB R:CYS94 3.6 98.2 1.0
C15 R:EN6401 3.7 94.2 1.0
CG2 R:ILE47 3.9 103.8 1.0
C12 R:EN6401 4.1 94.2 1.0
CZ R:PHE117 4.3 83.2 1.0
CA R:CYS94 4.4 98.2 1.0
O R:CYS94 4.6 98.2 1.0
CG1 R:ILE307 4.6 87.5 1.0
C10 R:EN6401 4.8 94.2 1.0
C R:CYS94 4.9 98.2 1.0
C11 R:EN6401 4.9 94.2 1.0
CG2 R:THR98 5.0 105.2 1.0
CG2 R:ILE307 5.0 87.5 1.0
CD1 R:ILE47 5.0 103.8 1.0

Reference:

Y.Fan, X.Lin, B.Pan, B.Chen, D.Liu, K.Wuthrich, F.Xu. Allosteric Coupling Between G-Protein Binding and Extracellular Ligand Binding Sites in GPR52 Revealed By 19 F-uc(Nmr) and Cryo-Electron Microscopy. Medcomm (2020) V. 4 E260 2023.
ISSN: ISSN 2688-2663
PubMed: 37051308
DOI: 10.1002/MCO2.260
Page generated: Fri Aug 2 20:10:56 2024

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