Fluorine in PDB 8ubr: Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg

Enzymatic activity of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg

All present enzymatic activity of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg:
5.6.1.6;

Other elements in 8ubr:

The structure of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg (pdb code 8ubr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg, PDB code: 8ubr:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8ubr

Go back to Fluorine Binding Sites List in 8ubr
Fluorine binding site 1 out of 3 in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1508

b:20.0
occ:1.00
 F25 A:WG51508 0.0 20.0 1.0
C24 A:WG51508 1.3 20.0 1.0
F27 A:WG51508 2.1 20.0 1.0
F26 A:WG51508 2.1 20.0 1.0
C3 A:WG51508 2.4 20.0 1.0
CD1 A:ILE1139 2.9 41.4 1.0
C2 A:WG51508 3.1 20.0 1.0
C4 A:WG51508 3.3 20.0 1.0
CB A:ALA1004 3.7 36.3 1.0
CG1 A:ILE1139 3.8 39.6 1.0
N A:ILE1139 4.2 41.6 1.0
CB A:ASN1138 4.2 42.9 1.0
CA A:ILE1139 4.3 38.8 1.0
C A:ASN1138 4.4 43.9 1.0
C1 A:WG51508 4.4 20.0 1.0
C5 A:WG51508 4.5 20.0 1.0
CB A:ILE1139 4.6 37.5 1.0
O A:ASN1138 4.7 48.3 1.0
CG1 A:VAL920 4.9 50.4 1.0
C6 A:WG51508 5.0 20.0 1.0
CA A:ASN1138 5.0 43.3 1.0

Fluorine binding site 2 out of 3 in 8ubr

Go back to Fluorine Binding Sites List in 8ubr
Fluorine binding site 2 out of 3 in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1508

b:20.0
occ:1.00
 F26 A:WG51508 0.0 20.0 1.0
C24 A:WG51508 1.3 20.0 1.0
F25 A:WG51508 2.1 20.0 1.0
F27 A:WG51508 2.1 20.0 1.0
C3 A:WG51508 2.4 20.0 1.0
C4 A:WG51508 2.8 20.0 1.0
CB A:ALA1004 3.3 36.3 1.0
C2 A:WG51508 3.6 20.0 1.0
CG2 A:ILE1000 3.7 25.7 1.0
CD1 A:ILE1139 4.1 41.4 1.0
OG1 A:THR1142 4.1 35.8 1.0
C5 A:WG51508 4.1 20.0 1.0
O A:ILE1000 4.3 29.4 1.0
CB A:THR1142 4.5 28.6 1.0
CG2 A:THR1142 4.7 33.2 1.0
C1 A:WG51508 4.8 20.0 1.0
CA A:ALA1004 4.8 33.5 1.0
C A:ILE1000 4.8 24.3 1.0
CA A:ILE1139 4.8 38.8 1.0
O A:ASN1138 4.9 48.3 1.0
C6 A:WG51508 5.0 20.0 1.0
CA A:VAL1001 5.0 23.9 1.0

Fluorine binding site 3 out of 3 in 8ubr

Go back to Fluorine Binding Sites List in 8ubr
Fluorine binding site 3 out of 3 in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1508

b:20.0
occ:1.00
 F27 A:WG51508 0.0 20.0 1.0
C24 A:WG51508 1.3 20.0 1.0
F25 A:WG51508 2.1 20.0 1.0
F26 A:WG51508 2.1 20.0 1.0
C3 A:WG51508 2.4 20.0 1.0
C2 A:WG51508 2.8 20.0 1.0
CB A:ALA1004 3.2 36.3 1.0
CB A:ALA923 3.3 41.9 1.0
C4 A:WG51508 3.6 20.0 1.0
C1 A:WG51508 4.2 20.0 1.0
O A:VAL920 4.2 53.2 1.0
CA A:ALA1004 4.4 33.5 1.0
CG2 A:ILE1000 4.5 25.7 1.0
CD1 A:ILE1139 4.5 41.4 1.0
CA A:ALA923 4.6 44.1 1.0
C5 A:WG51508 4.7 20.0 1.0
CG1 A:VAL920 4.7 50.4 1.0
C A:ALA923 4.9 41.0 1.0
N A:ASP924 4.9 45.0 1.0
O A:ILE1000 4.9 29.4 1.0
C6 A:WG51508 4.9 20.0 1.0

Reference:

P.G.Young, J.Levring, K.Fiedorczuk, S.C.Blanchard, J.Chen. Structural Basis For Cftr Inhibition By Cftrinh-172 To Be Published.
Page generated: Sat Aug 3 00:51:03 2024

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