Structure of PDB 7m3e Chain A Binding Site BS02

Receptor Information
>7m3e Chain A (length=810) 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
AGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQFRPLCTGDENIS
SVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADI
KKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGS
IVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRK
GIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKE
IEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSY
LLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRV
LLVFLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCH
EGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFI
VWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSR
NTIEEVRCST
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 chain7m3e 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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PDB7m3e Asymmetric activation of the calcium-sensing receptor homodimer.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T145 A168 S170 Y218 E297
Binding residue
(residue number reindexed from 1)		T122 A145 S147 Y195 E274
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:7m3e, PDBe:7m3e, PDBj:7m3e
PDBsum7m3e
PubMed34194040
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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