Structure of PDB 5jq1 Chain B Binding Site BS02

Receptor Information
>5jq1 Chain B (length=129) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CCPVNWVEHERSCYWFSRSGKAWADADNYCRLEDAHLVVVTSWEEQKFVQ
HHIGPVNTWMGLHDQNGPWKWVDGTDYETGFKNWRPEQPDDWYGHGLGGG
EDCAHFTDDGRWNDDVCQRPYRWVCETEL
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 chain5jq1 Chain B Residue 1002 [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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PDB5jq1 Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		Q239 D241 E252 N264 D265
Binding residue
(residue number reindexed from 1)		Q88 D90 E101 N113 D114
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5jq1, PDBe:5jq1, PDBj:5jq1
PDBsum5jq1
PubMed28230359
UniProtP07306|ASGR1_HUMAN Asialoglycoprotein receptor 1 (Gene Name=ASGR1)

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