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 T19011 Target Info
Target Name M-phase inducer phosphatase 3 (MPIP3)
Synonyms Dual specificity phosphatase Cdc25C; Cdc25C phosphatase
Target Type Literature-reported Target
Gene Name CDC25C
Biochemical Class Phosphoric monoester hydrolase
UniProt ID
MPIP3_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: 5M36      The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Method X-ray diffraction Resolution 2.45 Å Mutation No [1]
PDB Sequence
SRSGLYRSPM
217
PENLNRPR
Residue
Distance (Å)
ARG213
3.789
SER214
2.851
PRO215
1.331
Residue
Distance (Å)
MET217
1.335
PRO218
3.260
PDB ID: 5M37      The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Method X-ray diffraction Resolution 2.35 Å Mutation No [1]
PDB Sequence
SRSGLYRSPM
217
PENLNRP
Residue
Distance (Å)
ARG213
3.027
SER214
2.799
PRO215
1.332
Residue
Distance (Å)
MET217
1.337
PRO218
3.334
References  Top
REF 1 The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J Am Chem Soc. 2017 Nov 15;139(45):16256-16263.

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