Structure of PDB 8wpu Chain A Binding Site BS01

Receptor Information
>8wpu 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
IDSLNLDCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRL
LSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGI
EKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSG
PDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALK
AGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQRPLCTGDENISS
VETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIK
KVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSI
VFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKG
IIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEI
EFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYL
LLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVL
LVFEAKWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIF
ITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSML
IFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILF
KPS
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 A Residue 1107 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8wpu Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		T145 G146 S147 A168 Y218 E297 A298 I416
Binding residue
(residue number reindexed from 1)		T122 G123 S124 A145 Y195 E274 A275 I363
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8wpu, PDBe:8wpu, PDBj:8wpu
PDBsum8wpu
PubMed37919470
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

[Back to BioLiP]