Structure of PDB 8wpu Chain B Binding Site BS02

Receptor Information
>8wpu Chain B (length=808) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFR
WLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNK
IDSLNLCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLL
SNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIE
KFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGP
DLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKA
GQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQFRPLCTGDENISS
VETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIK
KVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSI
VFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKG
IIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEI
EFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYL
LLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVL
LVKWWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFIT
CHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIF
FIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKP
SRNTIEEV
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain8wpu Chain B Residue 1106 [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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PDB8wpu Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		W70 T145 G146 S147 A168 S170 Y218 A298
Binding residue
(residue number reindexed from 1)		W51 T121 G122 S123 A144 S146 Y194 A274
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled 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:8wpu, PDBe:8wpu, PDBj:8wpu
PDBsum8wpu
PubMed37919470
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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