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 T82795 Target Info
Target Name Beta-catenin (CTNNB1)
Synonyms Wnt/beta-catenin signaling pathway; PRO2286; OK/SW-cl.35; Catenin beta-1; CTNNB
Target Type Successful Target
Gene Name CTNNB1
Biochemical Class Beta-catenin
UniProt ID
CTNB1_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: 6M90      Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex
Method X-ray diffraction Resolution 2.05 Å Mutation No [1]
PDB Sequence
LDGIHSGAT
Residue
Distance (Å)
LEU31
4.070
ASP32
1.326
GLY34
1.329
Residue
Distance (Å)
ILE35
3.424
HIS36
3.542
PDB ID: 6M92      Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex
Method X-ray diffraction Resolution 2.35 Å Mutation No [1]
PDB Sequence
YLDGIHSGA
Residue
Distance (Å)
TYR30
4.086
LEU31
3.547
ASP32
1.327
Residue
Distance (Å)
GLY34
1.331
ILE35
3.427
PDB ID: 6M91      Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex
Method X-ray diffraction Resolution 2.40 Å Mutation No [1]
PDB Sequence
SYLDGIHAG
Residue
Distance (Å)
TYR30
4.239
LEU31
4.043
ASP32
1.327
Residue
Distance (Å)
GLY34
1.330
ILE35
3.485
PDB ID: 6M93      Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex
Method X-ray diffraction Resolution 2.50 Å Mutation No [1]
PDB Sequence
YLDGIHSGAT
40
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
LEU31
4.003
ASP32
1.326
Residue
Distance (Å)
GLY34
1.328
ILE35
3.295
References  Top
REF 1 Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun. 2019 Mar 29;10(1):1402.

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