Structure of PDB 6p4j Chain C Binding Site BS02

Receptor Information
>6p4j Chain C (length=502) Species: 223997 (Murine norovirus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVPIQPVAGAALAAPAAGQINQIDPWIFQNFVQCPLGEFSISPRNTPGEI
LFDLALGPGLNPYLAHLSAMYTGWVGNMEVQLVLAGNAFTAGKVVVALVP
PYFPKGSLTTAQITCFPHVMCDVRTLEPIQLPLLDVRRVLWHATQDQEES
MRLVCMLYTPLRTNSPGDESFVVSGRLLSKPAADFNFVYLTPPIERTIYR
MVDLPVIQPRLCTHARWPAPVYGLLVDPSLPSNPQWQNGRVHVDGTLLGT
TPISGSWVSCFAAEAAYEFQSGTGEVATFTLIEQDGSAYVPGDRAAPLGY
PDFSGQLEIEVQTETTKTGDKLKVTTFEMILGPTTNADQAPYQGRVFASV
TAAASLDLVDGRVRAVPRSIYGFQDTIPEYNDGLLVPLAPPIGPFLPGEV
LLRFRTYMRQIDTADAAAEAIDCALPQEFVSWFASNAFTVQSEALLLRYR
NTLTGQLLFECKLYNEGYIALSYSGSGPLTFPTDGIFEVVSWVPRLYQLA
SV
Ligand information
Ligand IDCHO
InChIInChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChIKeyGHCZAUBVMUEKKP-GYPHWSFCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
OpenEye OEToolkits 1.7.6C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
OpenEye OEToolkits 1.7.6CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
ACDLabs 12.01O=C(O)CNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C
CACTVS 3.370C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
FormulaC26 H43 N O5
NameGLYCOCHENODEOXYCHOLIC ACID
ChEMBLCHEMBL1552
DrugBankDB02123
ZINCZINC000003914812
PDB chain6p4j Chain C Residue 602 [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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PDB6p4j Bile Salts Alter the Mouse Norovirus Capsid Conformation: Possible Implications for Cell Attachment and Immune Evasion.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Q340 R390 V391 R392 V394
Binding residue
(residue number reindexed from 1)		Q312 R362 V363 R364 V366
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019049 virus-mediated perturbation of host defense response
Cellular Component
GO:0044423 virion component

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Biological Process
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Cellular Component
External links
PDB RCSB:6p4j, PDBe:6p4j, PDBj:6p4j
PDBsum6p4j
PubMed31341042
UniProtQ2V8W4

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