Structure of PDB 7nl7 Chain A Binding Site BS01

Receptor Information
>7nl7 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 chain7nl7 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nl7 Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D320 E324 N350 E354 D355
Binding residue
(residue number reindexed from 1)		D68 E72 N98 E102 D103
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7nl7, PDBe:7nl7, PDBj:7nl7
PDBsum7nl7
PubMed34652144
UniProtQ9NNX6|CD209_HUMAN CD209 antigen (Gene Name=CD209)

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