Structure of PDB 7dw9 Chain R Binding Site BS02

Receptor Information
>7dw9 Chain R (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRDPLLARAELALLSIVFVAVALSNGLVLAALARRGRRGHWAPIHVFIGH
LCLADLAVALFQVLPQLAWKATDRFRGPDALCRAVKYLQMVGMYASSYMI
LAMTLDRHRAICRPMLAYRHGSGAHWNRPVLVAWAFSLLLSLPQLFIFAQ
RNVEVTDCWACFAEPWGRRTYVTWIALMVFVAPTLGIAACQVLIFREIHA
SSAAVAKTVRMTLVIVVVYVLCWAPFFLVQLWAAWDPEAPLEGAPFVLLM
LLASLNSCTNPWIYASFSSSVSSELRSL
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 chain7dw9 Chain R Residue 601 [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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PDB7dw9 Molecular basis of ligand recognition and activation of human V2 vasopressin receptor.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R104 P159 M212
Binding residue
(residue number reindexed from 1)		R74 P129 M178
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005000 vasopressin receptor activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0038023 signaling receptor activity
GO:0042277 peptide binding
Biological Process
GO:0001992 regulation of systemic arterial blood pressure by vasopressin
GO:0003084 positive regulation of systemic arterial blood pressure
GO:0003092 renal water retention
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007190 activation of adenylate cyclase activity
GO:0007599 hemostasis
GO:0008284 positive regulation of cell population proliferation
GO:0008285 negative regulation of cell population proliferation
GO:0010628 positive regulation of gene expression
GO:0021537 telencephalon development
GO:0022900 electron transport chain
GO:0032870 cellular response to hormone stimulus
GO:0034097 response to cytokine
GO:0035811 negative regulation of urine volume
GO:0045777 positive regulation of blood pressure
GO:0045907 positive regulation of vasoconstriction
GO:1902533 positive regulation of intracellular signal transduction
Cellular Component
GO:0005768 endosome
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030139 endocytic vesicle
GO:0030669 clathrin-coated endocytic vesicle membrane
GO:0042597 periplasmic space
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7dw9, PDBe:7dw9, PDBj:7dw9
PDBsum7dw9
PubMed33742150
UniProtP30518|V2R_HUMAN Vasopressin V2 receptor (Gene Name=AVPR2)

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