Structure of PDB 1z50 Chain A Binding Site BS02

Receptor Information
>1z50 Chain A (length=448) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INDNRYINGINQFYFSIAEGRNLTLGPLLNMPSFIPTATTPEGCTRIPSF
SLTKTHWCYTHNVILNGCQDHVSSNQFVSMGIIEPTSAGFPFFRTLKTLY
LSDGVNRKSCSISTVPGGCMMYCFVSTQPERDDYFSAAPPEQRIIIMYYN
DTIVERIINPPGVLDVWATLNPGTGSGVYYLGWVLFPIYGGVIKGTSLWN
NQANKYFIPQMVAALCSQNQATQVQNAKSSYYSSWFGNRMIQSGILACPL
RQDLTNECLVLPFSNDQVLMGAEGRLYMYGDSVYYYQRSNSWWPMTMLYK
VTITFTNGQPSAISAQNVPTQQVPRPGTGDCSATNRCPGFCLTGVYADAW
LLTNPSSTSTFGSEATFTGSYLNTATQRINPTMYIANNTQIISSQQFGSS
GQEAAYGHTTCFRDTGSVMVYCIYIIELSSSLLGQFQIVPFIRQVTLS
Ligand information
Ligand IDDAN
InChIInChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
InChIKeyJINJZWSZQKHCIP-UFGQHTETSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
CACTVS 3.341CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O
FormulaC11 H17 N O8
Name2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID;
Neu5Ac2en
ChEMBLCHEMBL96712
DrugBankDB03991
ZINCZINC000004096465
PDB chain1z50 Chain A Residue 601 [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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PDB1z50 Structural studies of the parainfluenza virus 5 hemagglutinin-neuraminidase tetramer in complex with its receptor, sialyllactose.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R163 E247 Y306 R405 R495 Y523
Binding residue
(residue number reindexed from 1)		R46 E130 Y189 R288 R378 Y406
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1z50, PDBe:1z50, PDBj:1z50
PDBsum1z50
PubMed15893670
UniProtP04850|HN_PIV5 Hemagglutinin-neuraminidase (Gene Name=HN)

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