Structure of PDB 5b2d Chain A Binding Site BS02

Receptor Information
>5b2d Chain A (length=450) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLVNDLRFINGINKFIIEDYATHDFSIGHPLNMPSFIPTATSPNGCTRIP
SFSLGKTHWCYTHNVINANCKDHTSSNQYISMGILVQTASGYPMFKTLKI
QYLSDGLNRKSCSIATVPDGCAMYCYVSTQLETDDYAGSSPPTQKLTLLF
YNDTVTERTISPTGLEGNWATLVPGVGSGIYFENKLIFPAYGGVLPNSTL
GVKSAREFFRPVNPYNPCSGPQQDLDQRALRSYFPSYFSNRRVQSAFLVC
AWNQILVTNCELVVPSNNQTLMGAEGRVLLINNRLLYYQRSTSWWPYELL
YEISFTFTNSGQSSVNMSWIPIYSFTRPGSGNCSGENVCPTACVSGVYLD
PWPLTPYSHQSGINRNFYFTGALLNSSTTRVNPTLYVSALNNLKVLAPYG
NQGLFASYTTTTCFQDTGDASVYCVYIMELASNIVGEFQILPVLTRLTIT
Ligand information
Ligand IDSIA
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKeySQVRNKJHWKZAKO-YRMXFSIDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)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)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
FormulaC11 H19 N O9
NameN-acetyl-alpha-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
alpha-sialic acid;
O-SIALIC ACID
ChEMBLCHEMBL1234621
DrugBankDB03721
ZINCZINC000004081651
PDB chain5b2d Chain C Residue 3 [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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PDB5b2d Trisaccharide containing alpha 2,3-linked sialic acid is a receptor for mumps virus
Resolution2.177 Å
Binding residue
(original residue number in PDB)		R180 E264 Y323 F370 E407 R422 R512 Y540
Binding residue
(residue number reindexed from 1)		R48 E132 Y191 F238 E275 R290 R380 Y408
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:5b2d, PDBe:5b2d, PDBj:5b2d
PDBsum5b2d
PubMed27671656
UniProtQ9WAF5

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