Structure of PDB 6ghv Chain F Binding Site BS03

Receptor Information
>6ghv Chain F (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 chain6ghv Chain F Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ghv Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis.
Resolution2.1 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:6ghv, PDBe:6ghv, PDBj:6ghv
PDBsum6ghv
PubMed31469191
UniProtQ9NNX6|CD209_HUMAN CD209 antigen (Gene Name=CD209)

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