Structure of PDB 7pzl Chain A Binding Site BS02

Receptor Information
>7pzl Chain A (length=143) Species: 490133 (Hepatitis B virus ayw/France/Tiollais/1979) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIDPYKEFGATVELLSFLPSDFFPSVRDLLDTASALYREALESPEHCSP
HHTALRQAIVCWGELMTLATWVGVNLEDPASRDLVVSYVNTNMGLKFRQL
LWFHISCLTFGRETVIEYLVSFGVWIRTPPAYRPPNAPILSTL
Ligand information
Ligand IDTRT
InChIInChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
InChIKeyHEUDUECKTWTQQR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC
CACTVS 3.341COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
OpenEye OEToolkits 1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
FormulaC21 H36 O4
NameFRAGMENT OF TRITON X-100;
1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE
ChEMBL
DrugBankDB02080
ZINCZINC000005885272
PDB chain7pzl Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pzl Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C61 E64
Binding residue
(residue number reindexed from 1)		C61 E64
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003723 RNA binding
GO:0005198 structural molecule activity
Biological Process
GO:0046718 symbiont entry into host cell
GO:0075521 microtubule-dependent intracellular transport of viral material towards nucleus
GO:0075732 viral penetration into host nucleus
Cellular Component
GO:0030430 host cell cytoplasm
GO:0039619 T=4 icosahedral viral capsid
GO:0043657 host cell

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7pzl, PDBe:7pzl, PDBj:7pzl
PDBsum7pzl
PubMed34834922
UniProtP03146|CAPSD_HBVD3 Capsid protein (Gene Name=C)

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