Structure of PDB 8fr7 Chain C Binding Site BS01

Receptor Information
>8fr7 Chain C (length=1275) Species: 277944 (Human coronavirus NL63) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANLSMLQLGVPDNSSTIVTGLLPTHWFCANQSTSVYSANGFFYIDVGNHR
SAFALHTGYYDANQYYIYVTNEIGLNASVTLKICKFSRNTTFDFLSNASS
SFDCIVNLLFTEQLGAPLGITISGETVRLHLYNVTRTFYVPAAYKLTKLS
VKCYFNYSCVFSVVNATVTVNVTTHNGRVVNYTVCDDCNGYTDNIFSVQQ
DGRIPNGFPFNNWFLLTNGSTLVDGVSRLYQPLRLTCLWPVPGLKSSTGF
VYFNATGSDVNCNGYQHNSVVDVMRYNLNFSANSLDNLKSGVIVFKTLQY
DVLFYCSNSSSGVLDTTIPFGPSSQPYYCFINSTINTTHVSTFVGILPPT
VREIVVARTGQFYINGFKYFDLGFIEAVNFNVTTASATDFWTVAFATFVD
VLVNVSATNIQNLLYCDSPFEKLQCEHLQFGLQDGFYSANFLDDNVLPET
YVALPIYYQHTDINFTATASFGGSCYVCKPHQVNISLNGNTSVCVRTSHF
SIRYIYNRVKSGSPGDSSWHIYLKSGTCPFSFSKLNNFQKFKTICFSTVE
VPGSCNFPLEATWHYTSYTIVGALYVTWSEGNSITGVPYPVSGIREFSNL
VLNNCTKYNIYDYVGTGIIRSSNQSLAGGITYVSNSGNLLGFKNVSTGNI
FIVTPCNQPDQVAVYQQSIIGAMTAVNESRYGLQNLLQLPNFYYVSNGGN
NCTTAVMTYSNFGICADGSLIPVRPRNSSDNGISAIITANLSIPSNWTTS
VQVEYLQITSTPIVVDCATYVCNGNPRCKNLLKQYTSACKTIEDALRLSA
HLETNDVSSMLTFDSNAFSLANVTSFGDYNLSSVLPQRNIRSSRIAGRSA
LEDLLFSKVVTSGLGTVDVDYKSCTKGLSIADLACAQYYNGIMVLPGVAD
AERMAMYTGSLIGGMVLGGLTSAAAIPFSLALQARLNYVALQTDVLQENQ
KILAASFNKAINNIVASFSSVNDAITQTAEAIHTVTIALNKIQDVVNQQG
SALNHLTSQLRHNFQAISNSIQAIYDRLDSIQADQQVDRLITGRLAALNA
FVSQVLNKYTEVRGSRRLAQQKINECVKSQSNRYGFCGNGTHIFSIVNSA
PDGLLFLHTVLLPTDYKNVKAWSGICVDGIYGYVLRQPNLVLYSDNGVFR
VTSRVMFQPRLPVLSDFVQIYNCNVTFVNISRVELHTVIPDYVDVNKTLQ
EFAQNLPKYVKPNFDLTPFNLTYLNLSSELKQLEAKTASLFQTTVELQGL
IDQINSTYVDLKLLNRFENYIKWPW
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain8fr7 Chain KA 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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PDB8fr7 A hinge glycan regulates spike bending and impacts coronavirus infectivity
Resolution3.39 Å
Binding residue
(original residue number in PDB)		Y81 Y82
Binding residue
(residue number reindexed from 1)		Y59 Y60
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019064 fusion of virus membrane with host plasma membrane
GO:0039654 fusion of virus membrane with host endosome membrane
GO:0046813 receptor-mediated virion attachment to host cell
GO:0075509 endocytosis involved in viral entry into host cell
Cellular Component
GO:0016020 membrane
GO:0019031 viral envelope
GO:0055036 virion membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8fr7, PDBe:8fr7, PDBj:8fr7
PDBsum8fr7
PubMed
UniProtQ6Q1S2|SPIKE_CVHNL Spike glycoprotein (Gene Name=S)

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