Structure of PDB 7vab Chain R Binding Site BS03

Receptor Information
>7vab Chain R (length=288) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTAGELYQRWERYRRECQEFLDQRLILERLQVMYTVGYSLSLATLLLALL
ILSLFRRLHCTRNYIHINLFTSFMLRAAAILSRDRLLPRPLWNQALAACR
TAQIVTQYCVGANYTWLLVEGVYLHSLLVLVGGSEEGHFRYYLLLGWGAP
ALFVIPWVIVRYLYENTQCWERNEVKAIWWIIRTPILMTILINFLIFIRI
LGILLSKLRTRQDYRLRLARSTLFLVPLLGVHEVVFAPVEQARGALRFAK
LGFEIFLSSFQGFLVSVLYCFINKEVQSEIRRGWHHCR
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 chain7vab Chain R Residue 606 [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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PDB7vab Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		N175 Y225 W264
Binding residue
(residue number reindexed from 1)		N68 Y108 W147
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0005515 protein binding
GO:0008528 G protein-coupled peptide receptor activity
GO:0016519 gastric inhibitory peptide receptor activity
GO:0017046 peptide hormone binding
GO:0120022 glucagon family peptide binding
Biological Process
GO:0002029 desensitization of G protein-coupled receptor signaling pathway
GO:0006091 generation of precursor metabolites and energy
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
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:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007584 response to nutrient
GO:0009749 response to glucose
GO:0031018 endocrine pancreas development
GO:0032024 positive regulation of insulin secretion
GO:0038192 gastric inhibitory peptide signaling pathway
GO:0043950 positive regulation of cAMP-mediated signaling
GO:0048678 response to axon injury
GO:0050796 regulation of insulin secretion
GO:0051592 response to calcium ion
GO:0070542 response to fatty acid
Cellular Component
GO:0005886 plasma membrane
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:7vab, PDBe:7vab, PDBj:7vab
PDBsum7vab
PubMed35217653
UniProtP48546|GIPR_HUMAN Gastric inhibitory polypeptide receptor (Gene Name=GIPR)

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