Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1 | PDB:8A5J | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [1] |
| PDB Sequence |
EVFDVLEKLG
136 EGSVYKAIHK149 ETGQIVAIKQ159 VPVESDLQEI169 IKEISIMQQC179 DSPHVVKYYG 189 SYFKNTDLWI199 VMEYCGAGSV209 SDIIRLRNKT219 LTEDEIATIL229 QSTLKGLEYL 239 HFMRKIHRDI249 KAGNILLNTE259 GHAKLADFGV269 AGQLTDMAKR280 NVIGTPFWMA 291 PEVIQEIGYN301 CVADIWSLGI311 TAIEMAEGKP321 PYADIHPMRA331 IFMIPTNPPP 341 TFRKPELWSD351 NFTDFVKQCL361 VKSPEQRATA371 TQLLQHPFVR381 SAKGVSILRD 391 LINEAMDVKL401 KRQESQQ
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of STK4 (MST1) in complex with compound 6 | PDB:6YAT | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [2] |
| PDB Sequence |
DEDSLTKQPE
27 EVFDVLEKLG37 EGSYGSVYKA47 IHKETGQIVA57 IKQVPVESDL67 QEIIKEISIM 77 QQCDSPHVVK87 YYGSYFKNTD97 LWIVMEYCGA107 GSVSDIIRLR117 NKTLTEDEIA 127 TILQSTLKGL137 EYLHFMRKIH147 RDIKAGNILL157 NTEGHAKLAD167 FGVAGQLTDM 178 AKRNVIGTPF189 WMAPEVIQEI199 GYNCVADIWS209 LGITAIEMAE219 GKPPYADIHP 229 MRAIFMIPTN239 PPPTFRKPEL249 WSDNFTDFVK259 QCLVKSPEQR269 ATATQLLQHP 279 FVRSAKGVSI289 LRDLINEAMD299 VKLKRQESQ
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| Ligand Name: 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine | Ligand Info | |||||
| Structure Description | Crystal structure of STK4 (MST1) in complex with compound 6 | PDB:6YAT | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [2] |
| PDB Sequence |
DEDSLTKQPE
27 EVFDVLEKLG37 EGSYGSVYKA47 IHKETGQIVA57 IKQVPVESDL67 QEIIKEISIM 77 QQCDSPHVVK87 YYGSYFKNTD97 LWIVMEYCGA107 GSVSDIIRLR117 NKTLTEDEIA 127 TILQSTLKGL137 EYLHFMRKIH147 RDIKAGNILL157 NTEGHAKLAD167 FGVAGQLTDM 178 AKRNVIGTPF189 WMAPEVIQEI199 GYNCVADIWS209 LGITAIEMAE219 GKPPYADIHP 229 MRAIFMIPTN239 PPPTFRKPEL249 WSDNFTDFVK259 QCLVKSPEQR269 ATATQLLQHP 279 FVRSAKGVSI289 LRDLINEAMD299 VKLKRQESQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OJ5 or .OJ52 or .OJ53 or :3OJ5;style chemicals stick;color identity;select .A:36 or .A:37 or .A:38 or .A:39 or .A:40 or .A:44 or .A:57 or .A:59 or .A:73 or .A:86 or .A:102 or .A:103 or .A:104 or .A:105 or .A:108 or .A:109 or .A:112 or .A:153 or .A:154 or .A:156 or .A:166 or .A:167; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU36
3.720
GLY37
3.449
GLU38
3.521
GLY39
4.312
SER40
4.973
VAL44
3.817
ALA57
3.476
LYS59
3.713
GLU73
3.514
VAL86
4.686
MET102
3.951
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| Ligand Name: Xmu-MP-1 | Ligand Info | |||||
| Structure Description | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1 | PDB:8A5J | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [1] |
| PDB Sequence |
EVFDVLEKLG
136 EGSVYKAIHK149 ETGQIVAIKQ159 VPVESDLQEI169 IKEISIMQQC179 DSPHVVKYYG 189 SYFKNTDLWI199 VMEYCGAGSV209 SDIIRLRNKT219 LTEDEIATIL229 QSTLKGLEYL 239 HFMRKIHRDI249 KAGNILLNTE259 GHAKLADFGV269 AGQLTDMAKR280 NVIGTPFWMA 291 PEVIQEIGYN301 CVADIWSLGI311 TAIEMAEGKP321 PYADIHPMRA331 IFMIPTNPPP 341 TFRKPELWSD351 NFTDFVKQCL361 VKSPEQRATA371 TQLLQHPFVR381 SAKGVSILRD 391 LINEAMDVKL401 KRQESQQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5BS or .5BS2 or .5BS3 or :35BS;style chemicals stick;color identity;select .A:135 or .A:136 or .A:137 or .A:143 or .A:156 or .A:185 or .A:201 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:207 or .A:208 or .A:211 or .A:215 or .A:252 or .A:253 or .A:255 or .A:265 or .A:266 or .A:400; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU135
3.664
GLY136
3.026
GLU137
3.427
VAL143
3.817
ALA156
3.713
VAL185
4.058
MET201
3.650
GLU202
3.329
TYR203
3.668
CYS204
2.903
GLY205
3.789
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879 | ||||
| REF 2 | 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. | ||||
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