Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60606 | Target Info | |||
| Target Name | Thyrotropin receptor (TSHR) | ||||
| Synonyms | Thyroid stimulating hormone receptor; TSHR; TSH-R; TSH receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | TSHR | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | TSHR-Gs-M22 antibody-ML109 complex | PDB:7XW6 | ||||
| Method | Electron microscopy | Resolution | 2.78 Å | Mutation | Yes | [1] |
| PDB Sequence |
PCECHQEEDF
37 RVTCKDIQRI47 PSLPPSTQTL57 KLIETHLRTI67 PSHAFSNLPN77 ISRIYVSIDV 87 TLQQLESHSF97 YNLSKVTHIE107 IRNTRNLTYI117 DPDALKELPL127 LKFLGIFNTG 137 LKMFPDLTKV147 YSTDIFFILE157 ITDNPYMTSI167 PVNAFQGLCN177 ETLTLKLYNN 187 GFTSVQGYAF197 NGTKLDAVYL207 NKNKYLTVID217 KDAFGGVYSG227 PSLLDVSQTS 237 VTALPSKGLE247 HLKELIARNT257 WTLKKLPLSL267 SFLHLTRADL277 SYPIHCCAFK 287 NQKEDMVCTP400 KSDEFNPCED410 IMGYKFLRIV420 VWFVSLLALL430 GNVFVLLILL 440 TSHYKLNVPR450 FLMCNLAFAD460 FCMGMYLLLI470 ASVDLYTHSE480 YYNHAIDWQT 490 GPGCNTAGFF500 TVFASELSVY510 TLTVITLERW520 YAITFAMRLD530 RKIRLRHACA 540 IMVGGWVCCF550 LLALLPLVGI560 SSYAKVSICL570 PMDTETPLAL580 AYIVFVLTLN 590 IVAFVIVCCC600 YVKIYITVRN610 PDKDTKIAKR625 MAVLIFTDFI635 CMAPISFYAL 645 SAILNKPLIT655 VSNSKILLVL665 FYPLNSCANP675 FLYAIFTKAF685 QRDVFILLSK 695 FG
|
|||||
|
|
TYR414
2.834
LYS415
2.561
PHE416
2.298
LEU417
4.637
ARG418
2.429
ILE419
2.389
VAL420
2.610
TRP422
2.266
PHE423
2.352
LEU426
2.313
LEU427
2.467
LEU429
3.110
LEU430
2.252
GLY431
2.497
ASN432
4.600
PHE434
2.338
LEU468
2.317
ALA471
4.910
SER472
2.189
VAL473
4.792
LEU475
2.301
TYR476
2.321
HIS478
4.809
THR490
4.437
GLY491
3.895
PRO492
2.252
ASN495
2.362
THR496
2.365
PHE499
2.478
PHE500
2.587
SER505
4.613
GLU506
2.307
LEU507
4.002
VAL509
2.310
TYR510
2.083
THR513
2.203
VAL514
2.200
LEU517
2.636
ILE541
2.518
GLY545
4.775
TRP546
4.628
CYS548
4.096
CYS549
3.150
PHE550
2.373
LEU552
2.850
LEU554
2.376
LEU557
2.324
VAL558
2.402
VAL586
3.520
LEU589
2.223
ASN590
3.352
ILE591
2.549
VAL592
2.903
ALA593
2.215
PHE594
2.303
VAL595
2.346
ILE596
2.800
CYS598
2.866
CYS599
2.429
VAL602
2.216
LYS603
2.752
TYR605
3.165
ILE606
3.081
ARG609
4.008
ASP619
3.836
THR620
2.832
ALA623
2.317
LYS624
2.414
ALA627
2.223
VAL628
2.362
PHE631
2.505
THR632
4.902
PHE634
2.400
ILE635
2.894
MET637
2.747
ALA638
2.174
PRO639
2.283
SER641
2.233
PHE642
2.181
TYR643
2.079
LEU645
2.309
SER646
2.391
LEU649
2.209
LYS651
2.383
LEU653
2.508
ILE654
2.766
THR655
4.933
ASN658
2.332
ILE661
2.199
LEU662
2.580
LEU665
2.562
PHE666
2.374
LEU669
3.770
PHE676
2.362
ILE680
2.610
PHE681
2.918
PHE685
2.950
GLN686
2.374
VAL689
2.393
PHE690
2.333
|
|||||
| Ligand Name: N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide | Ligand Info | |||||
| Structure Description | TSHR-Gs-M22 antibody-ML109 complex | PDB:7XW6 | ||||
| Method | Electron microscopy | Resolution | 2.78 Å | Mutation | Yes | [1] |
| PDB Sequence |
PCECHQEEDF
37 RVTCKDIQRI47 PSLPPSTQTL57 KLIETHLRTI67 PSHAFSNLPN77 ISRIYVSIDV 87 TLQQLESHSF97 YNLSKVTHIE107 IRNTRNLTYI117 DPDALKELPL127 LKFLGIFNTG 137 LKMFPDLTKV147 YSTDIFFILE157 ITDNPYMTSI167 PVNAFQGLCN177 ETLTLKLYNN 187 GFTSVQGYAF197 NGTKLDAVYL207 NKNKYLTVID217 KDAFGGVYSG227 PSLLDVSQTS 237 VTALPSKGLE247 HLKELIARNT257 WTLKKLPLSL267 SFLHLTRADL277 SYPIHCCAFK 287 NQKEDMVCTP400 KSDEFNPCED410 IMGYKFLRIV420 VWFVSLLALL430 GNVFVLLILL 440 TSHYKLNVPR450 FLMCNLAFAD460 FCMGMYLLLI470 ASVDLYTHSE480 YYNHAIDWQT 490 GPGCNTAGFF500 TVFASELSVY510 TLTVITLERW520 YAITFAMRLD530 RKIRLRHACA 540 IMVGGWVCCF550 LLALLPLVGI560 SSYAKVSICL570 PMDTETPLAL580 AYIVFVLTLN 590 IVAFVIVCCC600 YVKIYITVRN610 PDKDTKIAKR625 MAVLIFTDFI635 CMAPISFYAL 645 SAILNKPLIT655 VSNSKILLVL665 FYPLNSCANP675 FLYAIFTKAF685 QRDVFILLSK 695 FG
|
|||||
|
|
GLU404
2.375
PHE405
3.263
THR501
3.700
VAL502
2.226
SER505
3.467
GLU506
3.265
ILE568
3.462
LEU570
2.104
PRO571
2.649
MET572
2.255
THR574
3.205
TYR582
4.559
ILE583
2.401
VAL586
2.107
LEU587
2.656
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Hormone- and antibody-mediated activation of the thyrotropin receptor. Nature. 2022 Sep;609(7928):854-859. | ||||
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