Structure of PDB 6p4j Chain B Binding Site BS01

Receptor Information
>6p4j Chain B (length=513) Species: 223997 (Murine norovirus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGQDLVPAAVEQAVPIQPVAGAALAAPAAGQINQIDPWIFQNFVQCPLGE
FSISPRNTPGEILFDLALGPGLNPYLAHLSAMYTGWVGNMEVQLVLAGNA
FTAGKVVVALVPPYFPKGSLTTAQITCFPHVMCDVRTLEPIQLPLLDVRR
VLWHATQDQEESMRLVCMLYTPLRTNSPGDESFVVSGRLLSKPAADFNFV
YLTPPIERTIYRMVDLPVIQPRLCTHARWPAPVYGLLVDPSLPSNPQWQN
GRVHVDGTLLGTTPISGSWVSCFAAEAAYEFQSGTGEVATFTLIEQDGSA
YVPGDRAAPLGYPDFSGQLEIEVQTETTKTGDKLKVTTFEMILGPTTNAD
QAPYQGRVFASVTAAASLDLVDGRVRAVPRSIYGFQDTIPEYNDGLLVPL
APPIGPFLPGEVLLRFRTYMRQIDTADAAAEAIDCALPQEFVSWFASNAF
TVQSEALLLRYRNTLTGQLLFECKLYNEGYIALSYSGSGPLTFPTDGIFE
VVSWVPRLYQLAS
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 B Residue 601 [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)		W245 Y250 Y435 M436 R437
Binding residue
(residue number reindexed from 1)		W229 Y234 Y419 M420 R421
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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