Structure of PDB 7fih Chain R Binding Site BS01

Receptor Information
>7fih Chain R (length=550) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLSLAYLPVKVIPSQAFRGLNEVIKIEISQIDSLERIEANAFDNLLNLS
EILIQNTKNLRYIEPGAFINLPRLKYLSICNTGIRKFPDVTKVFSSESNF
ILEICDNLHITTIPGNAFQGMNNESVTLKLYGNGFEEVQSHAFNGTTLTS
LELKENVHLEKMHNGAFRGATGPKTLDISSTKLQALPSYGLESIQRLIAT
SSYSLKKLPSRETFVNLLEATLTYPIHCCAFRNLPDYEYGFCLPKTPRCA
PEPDAFNPCEDIMGYDFLRVLIWLINILAIMGNMTVLFVLLTSRYKLTVP
RFLMCNLSFADFCMGLYLLLIASVDSQTKGQYYNHAIDWQTGSGCSTAGF
FTVFASELSVYTLTVITLERWHTITYAIHLDQKLRLRHAILIMLGGWLFS
SLIAMLPLVGVSNYMKVSICFPMDVETTLSQVYILTILILNVVAFFIICA
CYIKIYFAVRNPELMATNKDTKIAKKMAILIFTDFTCMAPISFFAISAAF
KVPLITVTNSKVLLVLFYPINSCANPFLYAIFTKTFQRDFFLLLSKFGCC
Ligand information
Ligand ID55Z
InChIInChI=1S/C24H30N6O3S2/c1-24(2,3)29-21(32)20-18(25)17-19(27-23(34-4)28-22(17)35-20)14-6-5-7-15(12-14)26-16(31)13-30-8-10-33-11-9-30/h5-7,12H,8-11,13,25H2,1-4H3,(H,26,31)(H,29,32)
InChIKeyUWTXKCMCTINMHD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N
CACTVS 3.385CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(n1)c3cccc(NC(=O)CN4CCOCC4)c3
FormulaC24 H30 N6 O3 S2
Name5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fih Chain R Residue 801 [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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PDB7fih Structures of full-length glycoprotein hormone receptor signalling complexes.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		F350 F515 P516 M517 I528 A592 K595 V601 S604
Binding residue
(residue number reindexed from 1)		F256 F421 P422 M423 I434 A498 K501 V507 S510
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004964 luteinizing hormone receptor activity
GO:0008528 G protein-coupled peptide receptor activity
GO:0016500 protein-hormone receptor activity
GO:0017046 peptide hormone binding
GO:0035472 choriogonadotropin hormone receptor activity
GO:0038106 choriogonadotropin hormone binding
GO:0042802 identical protein binding
GO:0051117 ATPase binding
Biological Process
GO:0001541 ovarian follicle development
GO:0006622 protein targeting to lysosome
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007190 activation of adenylate cyclase activity
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0007283 spermatogenesis
GO:0008584 male gonad development
GO:0008585 female gonad development
GO:0009410 response to xenobiotic stimulus
GO:0009755 hormone-mediated signaling pathway
GO:0010524 positive regulation of calcium ion transport into cytosol
GO:0022602 ovulation cycle process
GO:0030539 male genitalia development
GO:0032962 positive regulation of inositol trisphosphate biosynthetic process
GO:0034699 response to luteinizing hormone
GO:0042700 luteinizing hormone signaling pathway
GO:0046544 development of secondary male sexual characteristics
GO:0046886 positive regulation of hormone biosynthetic process
GO:0050482 arachidonate secretion
GO:0050810 regulation of steroid biosynthetic process
GO:0050850 positive regulation of calcium-mediated signaling
GO:0050890 cognition
GO:0051281 positive regulation of release of sequestered calcium ion into cytosol
GO:0060065 uterus development
GO:0071371 cellular response to gonadotropin stimulus
GO:0071373 cellular response to luteinizing hormone stimulus
GO:0072520 seminiferous tubule development
GO:0090030 regulation of steroid hormone biosynthetic process
Cellular Component
GO:0005615 extracellular space
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034451 centriolar satellite
GO:0043235 receptor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7fih, PDBe:7fih, PDBj:7fih
PDBsum7fih
PubMed34552239
UniProtP22888|LSHR_HUMAN Lutropin-choriogonadotropic hormone receptor (Gene Name=LHCGR)

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