Structure of PDB 1e8t Chain A Binding Site BS01

Receptor Information
>1e8t Chain A (length=446) Species: 332244 (Newcastle disease virus (strain Kansas)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAPIHDPDFIGGIGKELIVDNASDVTSFYPSAFQEHLNFIPAPTTGSGCT
RIPSFDMSATHYCYTHNVILSGCRDHSHSHQYLALGVLRTTATGRIFFST
LRSISLDDTQNRKSCSVSATPLGCDMLCSKVTETEEEDYNSAVPTLMAHG
RLGFDGQYHEKDLDVTTLFEDWVANYPGVGGGSFIDGRVWFSVYGGLKPN
SPSDTVQEGKYVIYKRYNDTCPDEQDYQIRMAKSSYKPGRFGGKRIQQAI
LSIKVSTSLGEDPVLTVPPNTVTLMGAEGRILTVGTSHFLYQRGSSYFSP
ALLYPMTVSNKTATLHSPYTFNAFTRPGSIPCQASARCPNSCVTGVYTDP
YPLIFYRNHTLRGVFGTMLDSEQARLNPASAVFDSTSRSRITRVSSSSTK
AAYTTSTCFKVVKTNKTYCLSIAEISNTLFGEFRIVPLLVEILKND
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 chain1e8t Chain A Residue 1001 [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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PDB1e8t Crystal Structure of the Multifunctional Paramyxovirus Hemagglutinin-Neuraminidase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D261 S264 V266 V296
Binding residue
(residue number reindexed from 1)		D138 S141 V143 V173
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
GO:0046789 host cell surface receptor binding
Biological Process
GO:0019058 viral life cycle
Cellular Component
GO:0019031 viral envelope

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1e8t, PDBe:1e8t, PDBj:1e8t
PDBsum1e8t
PubMed11062565
UniProtQ9Q2W5|HN_NDVK Hemagglutinin-neuraminidase (Gene Name=HN)

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