Structure of PDB 8xut Chain A Binding Site BS01

Receptor Information
>8xut Chain A (length=1042) 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]
QSYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHKRFDNP
ALPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCE
FQFCNDPFLDVRVYSSANNCTFEYVSQPFLMDLEGKEGNFKNLREFVFKN
IDGYFKIYSKHTPINLERDLPQGFSALEPLVDLPIGINITRFQTLLALHS
YLTPVDSSSGWTAGAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSE
TKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFHEVFNATTFA
SVYAWNRKRISNCVADYSVIYNFAPFFAFKCYGVSPTKLNDLCFTNVYAD
SFVIRGNEVSQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKPSGN
YNYLYRLFRKSKLKPFERDISTEIYQAGNKPCNGVAGPNCYSPLQSYGFR
PTYGVGHQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTG
TGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVI
TPGTNTSNQVAVLYQGVNCTWRVYSTGSNVFQTRAGCLIGAEYVNNSYEC
DIPIGAGICASYQQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEI
LPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLKRALTGIAVEQDK
NTQEVFAQVKQIYKTPPIKYFGGFNFSQILPDPSKPSKRSFIEDLLFNKV
TICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPF
AMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKL
QDVVNHNAQALNTLVKQLSSKFGAISSVLNDILSRLDKVEAEVQIDRLIT
GRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYH
LMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSN
GTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDP
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 chain8xut Chain A Residue 1317 [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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PDB8xut Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Q115 I231
Binding residue
(residue number reindexed from 1)		Q83 I185
Annotation score1
External links
PDB RCSB:8xut, PDBe:8xut, PDBj:8xut
PDBsum8xut
PubMed39071099
UniProtP0DTC2|SPIKE_SARS2 Spike glycoprotein (Gene Name=S)

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