Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T55654 Target Info
Target Name cAMP-dependent chloride channel (CFTR)
Synonyms cAMPdependent chloride channel; Cystic fibrosis transmembrane conductance regulator; Channel conductancecontrolling ATPase; ATPbinding cassette subfamily C member 7; ATP-binding cassette sub-family C member 7; ABCC7
Target Type Successful Target
Gene Name CFTR
Biochemical Class ABC transporter
UniProt ID
CFTR_HUMAN
Ligand General Information  Top
Ligand Name L-serine-O-phosphate Ligand Info
Canonical SMILES C(C(C(=O)O)N)OP(=O)(O)O
InChI 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey BZQFBWGGLXLEPQ-REOHCLBHSA-N
PubChem Compound ID 68841
Drug Binding Sites of Target  Top
PDB ID: 7QI1      Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768 and PPI stabilizer CY007424
Method X-ray diffraction Resolution 1.76 Å Mutation No [1]
PDB Sequence
ILPRIVISTG
758
RRRQVLNLMT
774
Residue
Distance (Å)
ARG751
2.838
ILE752
1.335
VAL754
1.329
ILE755
3.416
ARG765
4.600
Residue
Distance (Å)
ARG766
2.698
GLN767
1.332
VAL769
1.330
LEU770
4.554
PDB ID: 6HEP      Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768
Method X-ray diffraction Resolution 1.86 Å Mutation No [2]
PDB Sequence
IVIRRRQVLN
771
LMT
Residue
Distance (Å)
ILE752
1.332
VAL754
1.337
ILE755
3.631
ARG765
4.523
Residue
Distance (Å)
ARG766
2.730
GLN767
1.331
VAL769
1.324
LEU770
4.533
PDB ID: 5D3F      Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and stabilizer fusicoccin-A
Method X-ray diffraction Resolution 2.74 Å Mutation No [3]
PDB Sequence
PRIVISRRRQ
792
VLNLMT
Residue
Distance (Å)
ARG776
3.435
ILE777
1.323
VAL779
1.322
ILE780
3.653
Residue
Distance (Å)
ARG791
2.708
GLN792
1.330
VAL794
1.319
LEU795
4.448
References  Top
REF 1 Macrocycle-stabilization of its interaction with 14-3-3 increases plasma membrane localization and activity of CFTR. Nat Commun. 2022 Jun 23;13(1):3586.
REF 2 A Thermodynamic Model for Multivalency in 14-3-3 Protein-Protein Interactions. J Am Chem Soc. 2018 Oct 31;140(43):14498-14510.
REF 3 Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR. Proc Natl Acad Sci U S A. 2016 Mar 1;113(9):E1152-61.

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