Structure of PDB 5fbh Chain A Binding Site BS01

Receptor Information
>5fbh Chain A (length=472) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWL
QAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKID
STIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRT
IPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDIC
IDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRR
NITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKK
VHPRKSVHNGFAKEFWEETFNCHLQRPLCTGDENISSVETPYIDYTHLRI
SYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRH
LNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAK
KGERLFINEEKILWSGFSREVP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5fbh Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fbh Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I81 N82 L87 L88
Binding residue
(residue number reindexed from 1)		I60 N61 L66 L67
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:5fbh, PDBe:5fbh, PDBj:5fbh
PDBsum5fbh
PubMed27386547
UniProtP41180|CASR_HUMAN Extracellular calcium-sensing receptor (Gene Name=CASR)

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