Structure of PDB 7utz Chain R Binding Site BS01

Receptor Information
>7utz Chain R (length=600) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSH
AFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPD
ALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVN
AFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDA
FGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFL
HLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSETLQAFDSHYDYTIC
GDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILL
TSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQT
GPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACA
IMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLN
IVAFVIVCCCYVKIYITVRNDTKIAKRMAVLIFTDFICMAPISFYALSAI
LNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGI
Ligand information
Ligand IDZ41
InChIInChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
InChIKeyJEJLGIQLPYYGEE-XIFFEERXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCC
FormulaC35 H68 O5
Name(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
ChEMBLCHEMBL87852
DrugBank
ZINCZINC000040164684
PDB chain7utz Chain R Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7utz Autoantibody mimicry of hormone action at the thyrotropin receptor.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F405 L570 P571 M572 T574 A647 I648 I654 L663 Y667
Binding residue
(residue number reindexed from 1)		F315 L480 P481 M482 T484 A549 I550 I556 L565 Y569
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004996 thyroid-stimulating hormone receptor activity
GO:0016500 protein-hormone receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7utz, PDBe:7utz, PDBj:7utz
PDBsum7utz
PubMed35940205
UniProtA0A0A0MTJ0

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