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Fluorine in PDB 8rql: Gpcr - G-Protein Complex

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Gpcr - G-Protein Complex (pdb code 8rql). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Gpcr - G-Protein Complex, PDB code: 8rql:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8rql

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Fluorine binding site 1 out of 6 in the Gpcr - G-Protein Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Gpcr - G-Protein Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F401

b:130.0
occ:1.00
F1 R:FLF401 0.0 130.0 1.0
C7' R:FLF401 1.4 130.9 1.0
F3 R:FLF401 2.2 130.5 1.0
F2 R:FLF401 2.2 133.7 1.0
C3' R:FLF401 2.4 126.5 1.0
C4' R:FLF401 3.1 125.2 1.0
C2' R:FLF401 3.3 125.5 1.0
CE2 R:PHE76 3.3 126.9 1.0
CE1 R:PHE172 3.8 157.3 1.0
CZ R:PHE76 3.8 130.9 1.0
CD2 R:PHE76 3.9 131.3 1.0
CD1 R:PHE172 4.3 157.9 1.0
C5' R:FLF401 4.4 122.5 1.0
CZ R:PHE172 4.4 157.6 1.0
C1' R:FLF401 4.5 126.8 1.0
CG2 R:ILE262 4.6 139.8 1.0
CE1 R:PHE76 4.7 131.2 1.0
CG R:PHE76 4.8 129.8 1.0
C6' R:FLF401 4.9 123.3 1.0
CG1 R:ILE262 4.9 138.5 1.0

Fluorine binding site 2 out of 6 in 8rql

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Fluorine binding site 2 out of 6 in the Gpcr - G-Protein Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Gpcr - G-Protein Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F401

b:133.7
occ:1.00
F2 R:FLF401 0.0 133.7 1.0
C7' R:FLF401 1.4 130.9 1.0
F3 R:FLF401 2.2 130.5 1.0
F1 R:FLF401 2.2 130.0 1.0
C3' R:FLF401 2.4 126.5 1.0
C4' R:FLF401 2.8 125.2 1.0
CD1 R:PHE172 3.0 157.9 1.0
CE1 R:PHE172 3.1 157.3 1.0
CG R:PHE172 3.5 159.2 1.0
C2' R:FLF401 3.6 125.5 1.0
CZ R:PHE172 3.8 157.6 1.0
CD2 R:PHE172 4.1 159.4 1.0
C5' R:FLF401 4.1 122.5 1.0
CD1 R:PHE82 4.2 135.6 1.0
CE2 R:PHE172 4.2 158.6 1.0
CB R:PHE172 4.2 158.5 1.0
CE1 R:PHE82 4.5 135.1 1.0
C1' R:FLF401 4.7 126.8 1.0
O2 R:FLF401 4.7 124.4 1.0
CD1 R:ILE262 4.8 139.9 1.0
CG R:PHE82 4.8 132.4 1.0
C6' R:FLF401 4.9 123.3 1.0

Fluorine binding site 3 out of 6 in 8rql

Go back to Fluorine Binding Sites List in 8rql
Fluorine binding site 3 out of 6 in the Gpcr - G-Protein Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Gpcr - G-Protein Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F401

b:130.5
occ:1.00
F3 R:FLF401 0.0 130.5 1.0
C7' R:FLF401 1.4 130.9 1.0
F2 R:FLF401 2.2 133.7 1.0
F1 R:FLF401 2.2 130.0 1.0
C3' R:FLF401 2.4 126.5 1.0
C2' R:FLF401 2.7 125.5 1.0
CD1 R:ILE262 3.0 139.9 1.0
CG1 R:ILE262 3.3 138.5 1.0
CG2 R:ILE262 3.4 139.8 1.0
C4' R:FLF401 3.6 125.2 1.0
CB R:ILE262 3.9 137.7 1.0
CE1 R:PHE172 4.1 157.3 1.0
C1' R:FLF401 4.1 126.8 1.0
CZ R:PHE172 4.1 157.6 1.0
O2 R:FLF401 4.2 124.4 1.0
O1 R:FLF401 4.4 122.9 1.0
C7 R:FLF401 4.5 127.3 1.0
CD1 R:PHE172 4.5 157.9 1.0
CE2 R:PHE172 4.6 158.6 1.0
C5' R:FLF401 4.7 122.5 1.0
CE2 R:PHE76 4.8 126.9 1.0
C6' R:FLF401 4.9 123.3 1.0
CZ R:PHE76 5.0 130.9 1.0
N R:FLF401 5.0 127.8 1.0

Fluorine binding site 4 out of 6 in 8rql

Go back to Fluorine Binding Sites List in 8rql
Fluorine binding site 4 out of 6 in the Gpcr - G-Protein Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Gpcr - G-Protein Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F402

b:121.4
occ:1.00
F1 R:FLF402 0.0 121.4 1.0
C7' R:FLF402 1.3 117.3 1.0
F3 R:FLF402 2.1 114.7 1.0
F2 R:FLF402 2.1 115.0 1.0
C3' R:FLF402 2.3 114.0 1.0
C2' R:FLF402 3.1 110.3 1.0
C4' R:FLF402 3.3 109.9 1.0
CD1 R:ILE202 3.3 81.0 1.0
CG1 R:VAL230 3.4 159.7 1.0
CE1 R:PHE198 3.4 96.3 1.0
CZ R:PHE198 4.0 100.4 1.0
CB R:VAL230 4.1 162.5 1.0
C1' R:FLF402 4.3 107.5 1.0
CD1 R:PHE198 4.4 97.4 1.0
CG1 R:ILE202 4.4 75.6 1.0
C5' R:FLF402 4.5 106.5 1.0
CD2 R:LEU201 4.6 71.3 1.0
CA R:VAL230 4.7 162.8 1.0
CD2 A:LEU228 4.7 128.0 1.0
C6' R:FLF402 4.9 107.8 1.0

Fluorine binding site 5 out of 6 in 8rql

Go back to Fluorine Binding Sites List in 8rql
Fluorine binding site 5 out of 6 in the Gpcr - G-Protein Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Gpcr - G-Protein Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F402

b:115.0
occ:1.00
F2 R:FLF402 0.0 115.0 1.0
C7' R:FLF402 1.3 117.3 1.0
F3 R:FLF402 2.1 114.7 1.0
F1 R:FLF402 2.1 121.4 1.0
C3' R:FLF402 2.4 114.0 1.0
C2' R:FLF402 2.8 110.3 1.0
CD2 A:LEU228 3.1 128.0 1.0
C4' R:FLF402 3.5 109.9 1.0
CD2 R:LEU201 3.6 71.3 1.0
CD1 R:LEU201 3.9 71.9 1.0
CD1 R:ILE111 4.1 73.6 1.0
C1' R:FLF402 4.1 107.5 1.0
CG R:LEU201 4.4 71.1 1.0
CG A:LEU228 4.6 126.6 1.0
C5' R:FLF402 4.7 106.5 1.0
C5 R:FLF402 4.7 107.6 1.0
CE1 R:PHE198 4.7 96.3 1.0
CD1 R:ILE202 4.7 81.0 1.0
C6' R:FLF402 4.9 107.8 1.0
CG1 R:VAL230 5.0 159.7 1.0

Fluorine binding site 6 out of 6 in 8rql

Go back to Fluorine Binding Sites List in 8rql
Fluorine binding site 6 out of 6 in the Gpcr - G-Protein Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Gpcr - G-Protein Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
R:F402

b:114.7
occ:1.00
F3 R:FLF402 0.0 114.7 1.0
C7' R:FLF402 1.3 117.3 1.0
F1 R:FLF402 2.1 121.4 1.0
F2 R:FLF402 2.1 115.0 1.0
C3' R:FLF402 2.4 114.0 1.0
C4' R:FLF402 2.8 109.9 1.0
CD2 A:LEU228 3.1 128.0 1.0
CG1 R:VAL230 3.4 159.7 1.0
C2' R:FLF402 3.6 110.3 1.0
C5' R:FLF402 4.1 106.5 1.0
CG A:LEU228 4.3 126.6 1.0
CB R:VAL230 4.7 162.5 1.0
C1' R:FLF402 4.7 107.5 1.0
CB A:LEU228 4.9 125.9 1.0
C6' R:FLF402 4.9 107.8 1.0

Reference:

L.Peri, D.Matzov, D.R.Huxley, A.Rainish, F.Fierro, L.Sapir, T.Pfeiffer, L.Waterloo, H.Hubner, Y.Peleg, P.Gmeiner, P.J.Mccormick, D.Weikert, M.Y.Niv, M.Shalev-Benami. A Bitter Anti-Inflammatory Drug Binds at Two Distinct Sites of A Human Bitter Taste Gpcr. Nat Commun V. 15 9991 2024.
ISSN: ESSN 2041-1723
PubMed: 39557861
DOI: 10.1038/S41467-024-54157-6
Page generated: Tue Dec 10 19:53:55 2024

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