Structure of PDB 6uuy Chain B Binding Site BS03

Receptor Information
>6uuy Chain B (length=246) Species: 6185 (Schistosoma haematobium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTIQVIGAGLPRTGTNSMKKALEIIYSKPCYHMYEIIFKKQSDISIWQQL
IDETHKTTSDKRKIYNGLNELLNGYIATTDLPSCSFYKELMTMYPNAKVL
LTIRDKYDWLYSLRKVVLPKSTDPWKLKIEEGDQVLGIDSNFYKMSEDSL
KFAFQKNHINLDDDEILLECYDEYNRLVQEIVPPERLLIHHLGDGWESLC
QFLNVDIPNGISYPCANSHHQMTQLTEQLIKHKSLDDIIHMFPGLI
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 chain6uuy Chain B Residue 304 [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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PDB6uuy Molecular basis for hycanthone drug action in schistosome parasites.
Resolution1.37 Å
Binding residue
(original residue number in PDB)		E185 E189
Binding residue
(residue number reindexed from 1)		E165 E169
Annotation score4
Enzymatic activity
Enzyme Commision number 2.8.2.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6uuy, PDBe:6uuy, PDBj:6uuy
PDBsum6uuy
PubMed32027942
UniProtA0A094ZWQ2

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