Structure of PDB 5x2e Chain A Binding Site BS01

Receptor Information
>5x2e Chain A (length=80) Species: 79923 (Clonorchis sinensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSFINIFVSIDKDGTNVISYPELEQYVAENNLDPSMVEKWKQLFDPDNTG
SITLETFCSKLGLKPAEIIDFREQKGLHAA
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 chain5x2e Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x2e Structural insights into a 20.8-kDa tegumental-allergen-like (TAL) protein from Clonorchis sinensis
Resolution1.299 Å
Binding residue
(original residue number in PDB)		D12 D14 T16 V18 E23
Binding residue
(residue number reindexed from 1)		D11 D13 T15 V17 E22
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:5x2e, PDBe:5x2e, PDBj:5x2e
PDBsum5x2e
PubMed28496122
UniProtQ2PMV7

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