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 T47164 Target Info
Target Name MST-1 protein kinase (STK4)
Synonyms Serine/threonine-protein kinase Krs-2; Serine/threonine-protein kinase 4 18kDa subunit; Serine/threonine-protein kinase 4; STE20-like kinase MST1; Mammalian STE20-like protein kinase 1; MST1/N; MST1/C; MST1; MST-1; KRS2
Target Type Literature-reported Target
Gene Name STK4
Biochemical Class Kinase
UniProt ID
STK4_HUMAN
Ligand General Information  Top
Ligand Name Phosphonothreonine Ligand Info
Canonical SMILES CC(C(C(=O)O)N)OP(=O)(O)O
InChI 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
InChIKey USRGIUJOYOXOQJ-GBXIJSLDSA-N
PubChem Compound ID 3246323
Drug Binding Sites of Target  Top
PDB ID: 6YAT      Crystal structure of STK4 (MST1) in complex with compound 6
Method X-ray diffraction Resolution 2.58 Å Mutation No [1]
PDB Sequence
DEDSLTKQPE
27
EVFDVLEKLG
37
EGSYGSVYKA
47
IHKETGQIVA
57
IKQVPVESDL
67

QEIIKEISIM
77
QQCDSPHVVK
87
YYGSYFKNTD
97
LWIVMEYCGA
107
GSVSDIIRLR
117

NKTLTEDEIA
127
TILQSTLKGL
137
EYLHFMRKIH
147
RDIKAGNILL
157
NTEGHAKLAD
167

FGVAGQLTDM
178
AKRNVIGTPF
189
WMAPEVIQEI
199
GYNCVADIWS
209
LGITAIEMAE
219

GKPPYADIHP
229
MRAIFMIPTN
239
PPPTFRKPEL
249
WSDNFTDFVK
259
QCLVKSPEQR
269

ATATQLLQHP
279
FVRSAKGVSI
289
LRDLINEAMD
299
VKLKRQESQ
Residue
Distance (Å)
ARG148
2.823
THR175
2.902
ASP176
1.336
MET178
1.352
ALA179
4.037
ARG181
2.909
Residue
Distance (Å)
ASN182
1.340
VAL184
1.339
ILE185
3.214
VAL195
4.305
TYR201
2.607
PDB ID: 8A5J      Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1
Method X-ray diffraction Resolution 2.12 Å Mutation No [2]
PDB Sequence
EVFDVLEKLG
136
EGSVYKAIHK
149
ETGQIVAIKQ
159
VPVESDLQEI
169
IKEISIMQQC
179

DSPHVVKYYG
189
SYFKNTDLWI
199
VMEYCGAGSV
209
SDIIRLRNKT
219
LTEDEIATIL
229

QSTLKGLEYL
239
HFMRKIHRDI
249
KAGNILLNTE
259
GHAKLADFGV
269
AGQLTDMAKR
280

NVIGTPFWMA
291
PEVIQEIGYN
301
CVADIWSLGI
311
TAIEMAEGKP
321
PYADIHPMRA
331

IFMIPTNPPP
341
TFRKPELWSD
351
NFTDFVKQCL
361
VKSPEQRATA
371
TQLLQHPFVR
381

SAKGVSILRD
391
LINEAMDVKL
401
KRQESQQ
Residue
Distance (Å)
LYS171
4.704
ARG247
2.684
THR274
3.027
ASP275
1.346
MET277
1.369
ALA278
3.909
Residue
Distance (Å)
ARG280
2.851
ASN281
1.332
VAL283
1.348
ILE284
3.034
VAL294
3.966
TYR300
2.573
References  Top
REF 1 Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia. J Med Chem. 2022 Jan 27;65(2):1352-1369.
REF 2 Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879

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