Structure of PDB 7nl6 Chain A Binding Site BS03

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 503 [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)		E324 E353 D355
Binding residue
(residue number reindexed from 1)		E72 E101 D103
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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