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 T94479 Target Info
Target Name Ribosomal protein S6 kinase beta-1 (S6K1)
Synonyms p70-S6K 1; p70 ribosomal S6 kinase alpha; p70 S6KA; p70 S6K-alpha; p70 S6 kinase alpha; Serine/threonine-protein kinase 14A; STK14A; S6K-beta-1; S6K; Ribosomal protein S6 kinase I; P70S6K1; P70-S6K; 70 kDa ribosomal protein S6 kinase 1
Target Type Clinical trial Target
Gene Name RPS6KB1
Biochemical Class Kinase
UniProt ID
KS6B1_HUMAN
Ligand General Information  Top
Ligand Name Staurosporine Ligand Info
Canonical SMILES CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
InChI 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChIKey HKSZLNNOFSGOKW-FYTWVXJKSA-N
PubChem Compound ID 44259
Drug Binding Sites of Target  Top
PDB ID: 3A62      Crystal structure of phosphorylated p70S6K1
Method X-ray diffraction Resolution 2.35 Å Mutation No [1]
PDB Sequence
KIRPECFELL
94
RVLGKGGYGK
104
VFQVRKVTGA
114
NTGKIFAMKV
124
LKKAERNILE
148

EVKHPFIVDL
158
IYAFQTGGKL
168
YLILEYLSGG
178
ELFMQLEREG
188
IFMEDTACFY
198

LAEISMALGH
208
LHQKGIIYRD
218
LKPENIMLNH
228
QGHVKLTDFG
238
LCHFCGTIEY
259

MAPEILMRSG
269
HNRAVDWWSL
279
GALMYDMLTG
289
APPFTGENRK
299
KTIDKILKCK
309

LNLPPYLTQE
319
ARDLLKKLLK
329
RNAASRLGAG
339
PGDAGEVQAH
349
PFFRHINWEE
359

LLARKVEPPF
369
KPL
Residue
Distance (Å)
ARG95
4.549
LEU97
3.237
GLY98
3.688
LYS99
3.537
GLY100
4.996
VAL105
3.685
ALA121
3.149
LYS123
3.799
GLU143
3.701
VAL156
4.569
LEU172
3.741
Residue
Distance (Å)
GLU173
2.885
TYR174
3.544
LEU175
2.629
SER176
4.962
GLY178
4.473
GLU179
2.647
GLU222
2.952
ASN223
4.199
MET225
3.474
THR235
3.377
ASP236
3.753
PDB ID: 3A60      Crystal structure of unphosphorylated p70S6K1 (Form I)
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
KIRPECFELL
94
RVLGKGGYGK
104
VFQVRKVTGA
114
NTGKIFAMKV
124
LKKAMKAERN
145

ILEEVKHPFI
155
VDLIYAFQTG
165
GKLYLILEYL
175
SGGELFMQLE
185
REGIFMEDTA
195

CFYLAEISMA
205
LGHLHQKGII
215
YRDLKPENIM
225
LNHQGHVKLT
235
DFGLCKETIE
258

YMAPEILMRS
268
GHNRAVDWWS
278
LGALMYDMLT
288
GAPPFTGENR
298
KKTIDKILKC
308

KLNLPPYLTQ
318
EARDLLKKLL
328
KRNAASRLGA
338
GPGDAGEVQA
348
HPFFRHINWE
358

ELLARKVEPP
368
FKP
Residue
Distance (Å)
ARG95
4.432
LEU97
3.427
GLY98
3.663
LYS99
4.796
GLY100
3.334
GLY101
4.978
VAL105
3.800
ALA121
3.200
LYS123
3.671
GLU143
3.837
VAL156
4.443
Residue
Distance (Å)
LEU172
4.242
GLU173
3.048
TYR174
3.501
LEU175
2.672
GLY178
4.742
GLU179
2.863
GLU222
3.307
ASN223
4.477
MET225
3.296
THR235
3.656
ASP236
3.184
PDB ID: 3A61      Crystal structure of unphosphorylated p70S6K1 (Form II)
Method X-ray diffraction Resolution 3.43 Å Mutation No [1]
PDB Sequence
RPECFELLRV
96
LGKGGYGKVF
106
QVRKVTGANT
116
GKIFAMKVLK
126
AERNILEEVK
151

HPFIVDLIYA
161
FQTGGKLYLI
171
LEYLSGGELF
181
MQLEREGIFM
191
EDTACFYLAE
201

ISMALGHLHQ
211
KGIIYRDLKP
221
ENIMLNHQGH
231
VKLTDFGGTI
257
EYMAPEILMR
267

SGHNRAVDWW
277
SLGALMYDML
287
TGAPPFTGEN
297
RKKTIDKILK
307
CKLNLPPYLT
317

QEARDLLKKL
327
LKRNAASRLG
337
AGPGDAGEVQ
347
AHPFFRHINW
357
EELLARKVEP
367

PFKP
Residue
Distance (Å)
ARG95
4.359
LEU97
3.400
GLY98
4.009
GLY100
4.088
VAL105
4.170
ALA121
3.556
LYS123
4.064
GLU143
4.194
VAL156
4.554
LEU172
4.113
GLU173
3.112
Residue
Distance (Å)
TYR174
3.456
LEU175
2.584
GLY178
4.597
GLU179
3.111
GLU222
3.672
ASN223
3.483
ILE224
4.917
MET225
3.747
THR235
3.340
ASP236
3.586
References  Top
REF 1 Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J Biol Chem. 2010 Feb 12;285(7):4587-94.

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