Structure of PDB 4jf7 Chain B Binding Site BS01

Receptor Information
>4jf7 Chain B (length=501) Species: 11208 (Simian virus 5 (strain W3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNNILSVANQIIYNSAVALPLQLDTLESTLLTAIKSLQTSDKLEQNCSWS
AALINDNRYINGINQFYFSIAEGRNLTLGPLLNMPSFIPTATTPEGCTRI
PSFSLTKTHWCYTHNVILNGCQDHVSSNQFVSMGIIEPTSAGFPFFRTLK
TLYLSDGVNRKSCSISTVPGGCMMYCFVSTQPERDDYFSAAPPEQRIIIM
YYNDTIVERIINPPGVLDVWATLNPGTGSGVYYLGWVLFPIYGGVIKGTS
LWNNQANKYFIPQMVAALCSQNQATQVQNAKSSYYSSWFGNRMIQSGILA
CPLRQDLTNECLVLPFSNDQVLMGAEGRLYMYGDSVYYYQRSNSWWPMTM
LYKVTITFTNGQPSAISAQNVPTQQVPRPGTGDCSATNRCPGFCLTGVYA
DAWLLTNPSSTSTFGSEATFTGSYLNTATQRINPTMYIANNTQIISSQQF
GSSGQEAAYGHTTCFRDTGSVMVYCIYIIELSSSLLGQFQIVPFIRQVTL
S
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 chain4jf7 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jf7 Structure of the Parainfluenza Virus 5 (PIV5) Hemagglutinin-Neuraminidase (HN) Ectodomain.
Resolution2.5018 Å
Binding residue
(original residue number in PDB)		D250 S253 A255
Binding residue
(residue number reindexed from 1)		D186 S189 A191
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:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0046789 host cell surface receptor binding
Biological Process
GO:0019058 viral life cycle
GO:0019062 virion attachment to host cell
GO:0046718 symbiont entry into host cell
GO:0046761 viral budding from plasma membrane
Cellular Component
GO:0016020 membrane
GO:0019031 viral envelope
GO:0020002 host cell plasma membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4jf7, PDBe:4jf7, PDBj:4jf7
PDBsum4jf7
PubMed23950713
UniProtP04850|HN_PIV5 Hemagglutinin-neuraminidase (Gene Name=HN)

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