Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T29130 Target Info
Target Name Signal transducer and activator of transcription 3 (STAT3)
Synonyms Acute-phase response factor; APRF
Target Type Successful Target
Gene Name STAT3
Biochemical Class Transcription factor
UniProt ID
STAT3_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: 5'-iodotubercidin Ligand Info
Structure Description Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors. PDB:5AX3
Method X-ray diffraction Resolution 2.98 Å Mutation No [1]
PDB Sequence
LVKKYILALW
358
NE
Residue
Distance (Å)
GLU360
2.729
Residue
Distance (Å)
Ligand Name: ((2-(((5S,8S,10aR)-3-acetyl-8-(((S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic acid Ligand Info
Structure Description Stat3 Core in complex with compound SD36 PDB:6NJS
Method X-ray diffraction Resolution 2.70 Å Mutation No [2]
PDB Sequence
VVTEKQQMLE
145
QHLQDVRKRV
155
QDLEQKMKVV
165
ENLQDDFDFN
175
YKTLKNQSVT
196

RQKMQQLEQM
206
LTALDQMRRS
216
IVSELAGLLS
226
AMEYVQKTLT
236
DEELADWKRR
246

QQIACIGGPP
256
NICLDRLENW
266
ITSLAESQLQ
276
TRQQIKKLEE
286
LQQKVSYKGD
296

PIVQHRPMLE
306
ERIVELFRNL
316
MKSAFVVERQ
326
PCMPMHPDRP
336
LVIKTGVQFT
346

TKVRLLVKFP
356
ELNYQLKIKV
366
CIDKDRGSRK
383
FNILGTNTKV
393
MNMEESNNGS
403

LSAEFKHLTL
413
REQRCLIVTE
434
ELHLITFETE
444
VYHQGLKIDL
454
ETHSLPVVVI
464

SNICQMPNAW
474
ASILWYNMLT
484
NNPKNVNFFT
494
KPPIGTWDQV
504
AEVLSWQFSS
514

TTKRGLSIEQ
524
LTTLAEKLLG
534
PGVNYSGCQI
544
TWAKFCKENM
554
AGKGFSFWVW
564

LDNIIDLVKK
574
YILALWNEGY
584
IMGFISKERE
594
RAILSTKPPG
604
TFLLRFSESS
614

KEGGVTFTWV
624
EKDISGKTQI
634
QSVEPYTKQQ
644
LNNMSFAEII
654
MGYKIMDATN
664

ILVSPLVYLY
674
PDIPKEEAFG
684
KYC
Residue
Distance (Å)
ARG609
2.799
PHE610
4.693
SER611
2.690
GLU612
2.821
SER613
2.701
SER614
4.384
THR620
3.619
TRP623
4.079
GLN635
3.903
SER636
2.790
Residue
Distance (Å)
VAL637
3.392
GLU638
2.783
PRO639
3.285
TYR640
3.650
GLN644
2.798
TYR657
2.776
LYS658
3.570
ILE659
3.660
MET660
4.650
LEU666
3.747
Click to View More Binding Site Information of This Target and Ligand Pair
References  Top
REF 1 Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay. Bioorg Med Chem Lett. 2016 Feb 1;26(3):955-958.
REF 2 A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In?Vivo. Cancer Cell. 2019 Nov 11;36(5):498-511.e17.

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