Structure of PDB 7nl6 Chain A Binding Site BS02

Receptor Information
>7nl6 Chain A (length=132) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNF
LQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVG
EEDCAEFSGNGWNDDKCNLAKFWICKKSAASC
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 chain7nl6 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nl6 Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E347 N349 E354 N365 D366
Binding residue
(residue number reindexed from 1)		E95 N97 E102 N113 D114
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7nl6, PDBe:7nl6, PDBj:7nl6
PDBsum7nl6
PubMed34652144
UniProtQ9NNX6|CD209_HUMAN CD209 antigen (Gene Name=CD209)

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