Structure of PDB 7p1e Chain A Binding Site BS03

Receptor Information
>7p1e Chain A (length=383) Species: 341663 (Aspergillus terreus NIH2624) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPAKDATPYHVEFPLFRSANMASADKLSTGVGFHSFRIPAVVRTTTGRIL
AFAEGRRHDNRDFGDINLVYKRTKTTSDNGATLSDWESLREVVGSGDGTW
GNPTPVVDcGTIYLFLSWNNGSYSQKGGDELPDGTITKKIDTTWYGRRHL
YLTTSTDDGNTWSKPQDLTKELTPDGWSWDAVGPGNGIKLSSGELVVPAM
GRNIVGRGTPGQRTWSVQRLNGAGAEGTVCETPDGKLYRNDRPSKAGYRI
VARGTLSDGFSDFASDSGLPDPACQGSVLKYNTDAPPRTIFLNSASSDSR
RQMRVRISYDADAAKYDYGRKLADAPVSGAGYEGGYSSMTKTADYKIGAL
VESDFFNDGTGGGSYRSIIWRRFNLSWILNGPN
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 chain7p1e Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p1e Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		D84 N86 G113 G115
Binding residue
(residue number reindexed from 1)		D65 N67 G94 G96
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006689 ganglioside catabolic process
GO:0009313 oligosaccharide catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p1e, PDBe:7p1e, PDBj:7p1e
PDBsum7p1e
PubMed34724608
UniProtQ0CMX0

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