Structure of PDB 7xw6 Chain R Binding Site BS07

Receptor Information
>7xw6 Chain R (length=562) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPN
ISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPL
LKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCN
ETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSG
PSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADL
SYPIHCCAFKNQKEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALL
GNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSE
YYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLD
RKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLAL
AYIVFVLTLNIVAFVIVCCCYVKIYITVRNPDKDTKIAKRMAVLIFTDFI
CMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAF
QRDVFILLSKFG
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7xw6 Chain R Residue 815 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7xw6 Hormone- and antibody-mediated activation of the thyrotropin receptor.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		R418 W422 F423 L426
Binding residue
(residue number reindexed from 1)		R288 W292 F293 L296
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004996 thyroid-stimulating hormone receptor activity
GO:0005515 protein binding
GO:0008528 G protein-coupled peptide receptor activity
GO:0016500 protein-hormone receptor activity
GO:0038023 signaling receptor activity
GO:0044877 protein-containing complex binding
Biological Process
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007267 cell-cell signaling
GO:0008284 positive regulation of cell population proliferation
GO:0009755 hormone-mediated signaling pathway
GO:0038194 thyroid-stimulating hormone signaling pathway
GO:0120162 positive regulation of cold-induced thermogenesis
GO:1904588 cellular response to glycoprotein
GO:1905229 cellular response to thyrotropin-releasing hormone
Cellular Component
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0043235 receptor complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xw6, PDBe:7xw6, PDBj:7xw6
PDBsum7xw6
PubMed35940204
UniProtP16473|TSHR_HUMAN Thyrotropin receptor (Gene Name=TSHR)

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