Fluorine in PDB 8v81: Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator

All present enzymatic activity of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator:
5.6.1.6;

The structure of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator (pdb code 8v81). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator, PDB code: 8v81:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:F1511 b:25.3 occ:1.00 F25 A:WG51511 0.0 25.3 1.0 C24 A:WG51511 1.3 25.3 1.0 F26 A:WG51511 2.1 25.3 1.0 F27 A:WG51511 2.1 25.3 1.0 C3 A:WG51511 2.4 25.3 1.0 C2 A:WG51511 3.0 25.3 1.0 C4 A:WG51511 3.4 25.3 1.0 CG1 A:ILE1139 4.0 26.3 1.0 O A:VAL920 4.1 32.5 1.0 CB A:ASN1138 4.1 28.4 1.0 O A:ASN1138 4.2 28.4 1.0 C1 A:WG51511 4.3 25.3 1.0 CG1 A:VAL920 4.3 32.5 1.0 C A:ASN1138 4.5 28.4 1.0 CD2 A:LEU1135 4.5 30.9 1.0 CD1 A:ILE1139 4.6 26.3 1.0 C5 A:WG51511 4.6 25.3 1.0 CB A:ALA1004 4.7 24.4 1.0 CB A:ALA923 4.7 24.9 1.0 N A:ILE1139 4.8 26.3 1.0 C A:VAL920 4.9 32.5 1.0 C6 A:WG51511 4.9 25.3 1.0 O A:LEU1135 5.0 30.9 1.0 CA A:ASN1138 5.0 28.4 1.0

Fluorine binding site 2 out of 3 in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:F1511 b:25.3 occ:1.00 F26 A:WG51511 0.0 25.3 1.0 C24 A:WG51511 1.3 25.3 1.0 F25 A:WG51511 2.1 25.3 1.0 F27 A:WG51511 2.1 25.3 1.0 C3 A:WG51511 2.4 25.3 1.0 C4 A:WG51511 2.7 25.3 1.0 O A:ASN1138 3.2 28.4 1.0 CG1 A:ILE1139 3.5 26.3 1.0 C2 A:WG51511 3.6 25.3 1.0 OG1 A:THR1142 3.9 22.3 1.0 C A:ASN1138 3.9 28.4 1.0 CA A:ILE1139 4.0 26.3 1.0 C5 A:WG51511 4.1 25.3 1.0 N A:ILE1139 4.2 26.3 1.0 CB A:ILE1139 4.4 26.3 1.0 CB A:THR1142 4.5 22.3 1.0 CB A:ALA1004 4.5 24.4 1.0 CD1 A:ILE1139 4.5 26.3 1.0 CB A:ASN1138 4.7 28.4 1.0 CG2 A:ILE1000 4.7 18.0 1.0 C1 A:WG51511 4.8 25.3 1.0 CG2 A:THR1142 4.9 22.3 1.0 C6 A:WG51511 4.9 25.3 1.0 CA A:ASN1138 5.0 28.4 1.0 N7 A:WG51511 5.0 25.3 1.0

Fluorine binding site 3 out of 3 in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:F1511 b:25.3 occ:1.00 F27 A:WG51511 0.0 25.3 1.0 C24 A:WG51511 1.3 25.3 1.0 F26 A:WG51511 2.1 25.3 1.0 F25 A:WG51511 2.1 25.3 1.0 C3 A:WG51511 2.4 25.3 1.0 C2 A:WG51511 3.0 25.3 1.0 CB A:ALA923 3.3 24.9 1.0 C4 A:WG51511 3.4 25.3 1.0 CB A:ALA1004 3.5 24.4 1.0 O A:VAL920 4.2 32.5 1.0 C1 A:WG51511 4.3 25.3 1.0 CG2 A:ILE1000 4.5 18.0 1.0 CA A:ALA923 4.5 24.9 1.0 O A:ILE1000 4.5 18.0 1.0 C5 A:WG51511 4.6 25.3 1.0 CG1 A:ILE1139 4.8 26.3 1.0 C A:ALA923 4.8 24.9 1.0 N A:ALA923 4.9 24.9 1.0 N A:ASP924 4.9 23.1 1.0 C6 A:WG51511 4.9 25.3 1.0 CA A:ALA1004 5.0 24.4 1.0

X.Gao, H.Yeh, Z.Yang, C.Fan, F.Jiang, R.J.Howard, E.Lindahl, J.C.Kappes, T.Hwang. Allosteric Inhibition of Cftr Gating By Cftrinh-172 Binding in the Pore Nat Commun 2024.
ISSN: ESSN 2041-1723