Structure of PDB 5k5s Chain B Binding Site BS03

Receptor Information
>5k5s Chain B (length=537) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWL
QAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKID
SPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFL
RTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERD
ICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIV
RRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFL
KKVHPRKSVHNGFAKEFWEETFNCHLRPLCTGDENINSVETPYIDYTHLR
ISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLR
HLQFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYA
KKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFEC
VECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5k5s Chain B Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5k5s Structural mechanism of ligand activation in human calcium-sensing receptor.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		I81 N82 S84 L87 L88 P89
Binding residue
(residue number reindexed from 1)		I60 N61 S63 L66 L67 P68
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:5k5s, PDBe:5k5s, PDBj:5k5s
PDBsum5k5s
PubMed27434672
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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