Structure of PDB 7e6t Chain A Binding Site BS03

Receptor Information
>7e6t Chain A (length=796) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWL
QAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKID
SLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSS
RLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRP
GIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFS
SGPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFA
LKAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLRPLCTGDENIS
SVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADI
KKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGS
IVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRK
GIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKE
IEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSY
LLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRV
LLVFEANLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITC
HEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFF
IVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIIL
Ligand information
Ligand IDTCR
InChIInChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1
InChIKeyFSNCEEGOMTYXKY-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)[CH]1Cc2c(CN1)[nH]c3ccccc23
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O
CACTVS 3.370OC(=O)[C@@H]1Cc2c(CN1)[nH]c3ccccc23
ACDLabs 12.01O=C(O)C3NCc1c(c2c(n1)cccc2)C3
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c3c([nH]2)CNC(C3)C(=O)O
FormulaC12 H12 N2 O2
NameCYCLOMETHYLTRYPTOPHAN
ChEMBLCHEMBL155546
DrugBank
ZINCZINC000000037835
PDB chain7e6t Chain A Residue 907 [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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PDB7e6t Structural insights into the activation of human calcium-sensing receptor.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R66 S147 A168 Y218 E297
Binding residue
(residue number reindexed from 1)		R45 S126 A147 Y197 E276
Annotation score1
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:7e6t, PDBe:7e6t, PDBj:7e6t
PDBsum7e6t
PubMed34467854
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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