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 T15739 Target Info
Target Name Cellular tumor antigen p53 (TP53)
Synonyms Tumor suppressor p53; Phosphoprotein p53; P53; Antigen NY-CO-13
Target Type Clinical trial Target
Gene Name TP53
UniProt ID
P53_HUMAN
Ligand General Information  Top
Ligand Name 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine Ligand Info
Canonical SMILES CCN1C2=C(C=C(C=C2)CNC)C3=C1C=C(C=C3)C4=CSC=N4
InChI 1S/C19H19N3S/c1-3-22-18-7-4-13(10-20-2)8-16(18)15-6-5-14(9-19(15)22)17-11-23-12-21-17/h4-9,11-12,20H,3,10H2,1-2H3
InChIKey BYZRRANZUUJGLQ-UHFFFAOYSA-N
PubChem Compound ID 145925605
Drug Binding Sites of Target  Top
PDB ID: 6SI0      p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323
Method X-ray diffraction Resolution 1.53 Å Mutation Yes [1]
PDB Sequence
SSVPSQKTYQ
104
GSYGFRLGFL
114
HSGTAKSVTC
124
TYSPALNKLF
134
CQLAKTCPVQ
144

LWVDSTPPPG
154
TRVRAMAIYK
164
QSQHMTEVVR
174
RCPHHERCSD
184
SDGLAPPQHL
194

IRVEGNLRAE
204
YLDDRNTFRH
214
SVVVPCEPPE
224
VGSDCTTIHY
234
NYMCYSSCMG
244

GMNRRPILTI
254
ITLEDSSGNL
264
LGRDSFEVRV
274
CACPGRDRRT
284
EEENLRK
Residue
Distance (Å)
LEU145
3.259
TRP146
3.887
VAL147
3.443
THR150
3.663
PRO151
3.577
PRO152
3.901
PRO153
3.985
THR155
4.833
Residue
Distance (Å)
CYS220
3.053
GLU221
3.389
PRO222
3.500
PRO223
3.488
ASP228
2.764
CYS229
3.884
THR230
3.421
PDB ID: 6SI4      p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [1]
PDB Sequence
SVPSQKTYQG
105
SYGFRLGFLH
115
SGTAKSVTCT
125
YSPALNKLFC
135
QLAKTCPVQL
145

WVDSTPPPGT
155
RVRAMAIYKQ
165
SQHMTEVVRR
175
CPHHERCSDS
185
DGLAPPQHLI
195

RVEGNLRAEY
205
LDDRNTFRHS
215
VVVPSEPPEV
225
GSDCTTIHYN
235
YMCYSSCMGG
245

MNRRPILTII
255
TLEDSSGNLL
265
GRDSFEVRVC
275
ACPGRDRRTE
285
EENLRK
Residue
Distance (Å)
LEU145
3.202
TRP146
3.990
VAL147
3.405
THR150
3.599
PRO151
3.622
PRO152
3.786
PRO153
3.885
GLY154
4.913
Residue
Distance (Å)
THR155
4.593
SER220
2.934
GLU221
3.282
PRO222
3.619
PRO223
3.479
ASP228
2.683
CYS229
3.921
THR230
3.521
References  Top
REF 1 Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. ACS Chem Biol. 2020 Mar 20;15(3):657-668.

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