Structure of PDB 8szh Chain A Binding Site BS03

Receptor Information
>8szh Chain A (length=835) 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
GQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQEFRPLCTGDENIS
SVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADI
KKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGS
IVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRK
GIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKE
IEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSY
LLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRV
LLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYR
NQELEDEIIFITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFN
EAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACI
FFNKIYIILFKPSRNTIEEVRCSTAAHAFKVAARA
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 chain8szh Chain A Residue 906 [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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PDB8szh Allosteric modulation and G-protein selectivity of the Ca2+-sensing receptor
Resolution3.1 Å
Binding residue
(original residue number in PDB)		T145 A168 S170 Y218
Binding residue
(residue number reindexed from 1)		T121 A144 S146 Y194
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:8szh, PDBe:8szh, PDBj:8szh
PDBsum8szh
PubMed38326620
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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