Structure of PDB 8wpg Chain A Binding Site BS01

Receptor Information
>8wpg Chain A (length=803) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFR
WLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNK
IDSLNLDECSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSR
LLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPG
IEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSS
GPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFAL
KAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQERPLCTGDENI
SSVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCAD
IKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDG
SIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTR
KGIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAK
EIEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELS
YLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNR
VLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCHEGS
LMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWI
SFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSRNTI
EEV
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 chain8wpg Chain A Residue 903 [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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PDB8wpg Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R66 T145 G146 S147 A168 S170 Y218 E297 A298
Binding residue
(residue number reindexed from 1)		R47 T123 G124 S125 A146 S148 Y196 E275 A276
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:8wpg, PDBe:8wpg, PDBj:8wpg
PDBsum8wpg
PubMed37919470
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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