Structure of PDB 2xr6 Chain A Binding Site BS03

Receptor Information
>2xr6 Chain A (length=130) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQ
LQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVGEE
DCAEFSGNGWNDDKCNLAKFWICKKSAASS
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 chain2xr6 Chain A Residue 1390 [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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PDB2xr6 Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		D320 E324 N350 E354 D355
Binding residue
(residue number reindexed from 1)		D66 E70 N96 E100 D101
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2xr6, PDBe:2xr6, PDBj:2xr6
PDBsum2xr6
PubMed24749535
UniProtQ9NNX6|CD209_HUMAN CD209 antigen (Gene Name=CD209)

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