Structure of PDB 8haf Chain R Binding Site BS01

Receptor Information
>8haf Chain R (length=369) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMTKEEQIFLLHRAQAQCEKRLKEVGRPCLPEWDHILCWPLGAPGEVVAV
PCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETR
EREVFDRLAMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLS
FMLRAVSIFVKDAVLYSGAGYAGCRVAVTFFLYFLATNYYWILVEGLYLH
SLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSG
NKKWIIQVPILASIVLNFILFINIVRVLATKLRETNTRQQYRKLLKSTLV
LMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFC
NGEVQAEIKKSWSRWTLAL
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 chain8haf Chain R Residue 1512 [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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PDB8haf Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		L411 M414 P415 H420 F454 I458
Binding residue
(residue number reindexed from 1)		L299 M302 P303 H308 F342 I346
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:0004991 parathyroid hormone receptor activity
Biological Process
GO:0007166 cell surface receptor signaling pathway
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:8haf, PDBe:8haf, PDBj:8haf
PDBsum8haf
PubMed36482086
UniProtQ03431|PTH1R_HUMAN Parathyroid hormone/parathyroid hormone-related peptide receptor (Gene Name=PTH1R)

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