Structure of PDB 8szf Chain A Binding Site BS01

Receptor Information
>8szf Chain A (length=799) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFR
WLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNK
IDSLHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQ
FKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREE
AEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPL
IKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPG
FREFLKKVHPRKSVHNGFAKEFWEETFNCHLQEFRPLCTGDENISSVETP
YIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEA
WQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKE
VGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEG
EPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEIEFLS
WTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFS
LLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLNLQF
LLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCHEGSLMALGF
LIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAY
ASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSRNTIEEVRC
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 chain8szf Chain A Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8szf Allosteric modulation and G-protein selectivity of the Ca2+-sensing receptor
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T145 S147 A168 S170 Y218 E297
Binding residue
(residue number reindexed from 1)		T116 S118 A139 S141 Y189 E268
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:8szf, PDBe:8szf, PDBj:8szf
PDBsum8szf
PubMed38326620
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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