Structure of PDB 7na7 Chain R Binding Site BS03

Receptor Information
>7na7 Chain R (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAPLLAGVTATCVALFVVGIAGNLLTMLVVSRFRELRTTTNLYLSSMAFS
DLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYAKVLTITALS
VERYFAICFPLRAKVVVTKGRVKLVIFVIWAVAFCSAGPIFVLVGVEHEQ
GTDPWDTNECRPTEFAVRSGLLTVMVWVSSIFFFLPVFCLTVLYSLIGRK
LWRRRDQNHKQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPGSLEIAQ
ISQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFRLLGF
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 chain7na7 Chain R Residue 402 [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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PDB7na7 Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren
Resolution2.7 Å
Binding residue
(original residue number in PDB)		T135 V139 V170 L223
Binding residue
(residue number reindexed from 1)		T97 V101 V132 L185
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001616 growth hormone secretagogue receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0016520 growth hormone-releasing hormone receptor activity
GO:0017046 peptide hormone binding
GO:0042562 hormone binding
Biological Process
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007283 spermatogenesis
GO:0007565 female pregnancy
GO:0007611 learning or memory
GO:0008154 actin polymerization or depolymerization
GO:0008343 adult feeding behavior
GO:0009725 response to hormone
GO:0009755 hormone-mediated signaling pathway
GO:0010700 negative regulation of norepinephrine secretion
GO:0030252 growth hormone secretion
GO:0032094 response to food
GO:0032099 negative regulation of appetite
GO:0032100 positive regulation of appetite
GO:0032354 response to follicle-stimulating hormone
GO:0032355 response to estradiol
GO:0032691 negative regulation of interleukin-1 beta production
GO:0032715 negative regulation of interleukin-6 production
GO:0032720 negative regulation of tumor necrosis factor production
GO:0032869 cellular response to insulin stimulus
GO:0036321 ghrelin secretion
GO:0040018 positive regulation of multicellular organism growth
GO:0043134 regulation of hindgut contraction
GO:0043568 positive regulation of insulin-like growth factor receptor signaling pathway
GO:0045923 positive regulation of fatty acid metabolic process
GO:0045927 positive regulation of growth
GO:0046676 negative regulation of insulin secretion
GO:0046697 decidualization
GO:0048009 insulin-like growth factor receptor signaling pathway
GO:0050728 negative regulation of inflammatory response
GO:0051963 regulation of synapse assembly
GO:0051969 regulation of transmission of nerve impulse
GO:0060123 regulation of growth hormone secretion
GO:0060259 regulation of feeding behavior
GO:0060416 response to growth hormone
GO:0071222 cellular response to lipopolysaccharide
GO:0071548 response to dexamethasone
GO:0090327 negative regulation of locomotion involved in locomotory behavior
GO:0097067 cellular response to thyroid hormone stimulus
GO:0098696 regulation of neurotransmitter receptor localization to postsynaptic specialization membrane
GO:0099170 postsynaptic modulation of chemical synaptic transmission
GO:0099175 regulation of postsynapse organization
GO:0120058 positive regulation of small intestinal transit
GO:1902065 response to L-glutamate
GO:1903672 positive regulation of sprouting angiogenesis
GO:1904000 positive regulation of eating behavior
GO:1904349 positive regulation of small intestine smooth muscle contraction
GO:1905333 regulation of gastric motility
GO:1905564 positive regulation of vascular endothelial cell proliferation
GO:1990314 cellular response to insulin-like growth factor stimulus
GO:2000110 negative regulation of macrophage apoptotic process
Cellular Component
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0043005 neuron projection
GO:0045121 membrane raft
GO:0097060 synaptic membrane
GO:0098685 Schaffer collateral - CA1 synapse
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7na7, PDBe:7na7, PDBj:7na7
PDBsum7na7
PubMed
UniProtQ92847|GHSR_HUMAN Growth hormone secretagogue receptor type 1 (Gene Name=GHSR)

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