Structure of PDB 8xuu Chain A Binding Site BS01

Receptor Information
>8xuu Chain A (length=431) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTQSYTNSFTRGVYYPDKVFRSSVLHLTQDLFLPFFSNVTWFHAIDNPV
LPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVFIKVCEF
QFCNDGVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFK
IYSKHTPIIGRDFPQGFSALEPLVDLPIGINITRFQTLLALNRADYYVGY
LQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKFPNVTNLCPFHEVFN
ATRFASVYAWNRKRISNCVADYSVLYNFAPFFAFKCYGVSPTKLNDLCFT
NVYADSFVIKGNEVSQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDS
KHSGNYDYWYRLFRKSKLKPFERDISTEIYQAGNKPCKGKGPNCYFPLQS
YGFRPTYGVGHQPYRVVVLSFELLHAPATVC
Ligand information
Ligand IDIDU
InChIInChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4-,6+/m1/s1
InChIKeyCOJBCAMFZDFGFK-TVSWGBMESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O
CACTVS 3.370O[C@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(OS(=O)(=O)O)C(O)C1O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
FormulaC6 H10 O10 S
Name2-O-sulfo-beta-L-altropyranuronic acid;
2-O-sulfo-beta-L-altruronic acid;
2-O-sulfo-L-altruronic acid;
2-O-sulfo-altruronic acid
ChEMBL
DrugBankDB03935
ZINCZINC000034920355
PDB chain8xuu Chain A Residue 1306 [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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PDB8xuu Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Resolution3.69 Å
Binding residue
(original residue number in PDB)		F168 R355 K356 R357
Binding residue
(residue number reindexed from 1)		F116 R262 K263 R264
Annotation score1
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0039660 structural constituent of virion
GO:0042802 identical protein binding
GO:0046789 host cell surface receptor binding
GO:0048018 receptor ligand activity
Biological Process
GO:0007165 signal transduction
GO:0019062 virion attachment to host cell
GO:0019064 fusion of virus membrane with host plasma membrane
GO:0019081 viral translation
GO:0039587 suppression by virus of host tetherin activity
GO:0039654 fusion of virus membrane with host endosome membrane
GO:0046598 positive regulation of viral entry into host cell
GO:0046718 symbiont entry into host cell
GO:0046813 receptor-mediated virion attachment to host cell
GO:0052170 symbiont-mediated suppression of host innate immune response
GO:0061025 membrane fusion
GO:0075509 endocytosis involved in viral entry into host cell
GO:0098670 entry receptor-mediated virion attachment to host cell
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0019031 viral envelope
GO:0020002 host cell plasma membrane
GO:0043655 host extracellular space
GO:0044173 host cell endoplasmic reticulum-Golgi intermediate compartment membrane
GO:0044228 host cell surface
GO:0055036 virion membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8xuu, PDBe:8xuu, PDBj:8xuu
PDBsum8xuu
PubMed39071099
UniProtP0DTC2|SPIKE_SARS2 Spike glycoprotein (Gene Name=S)

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