Structure of PDB 7pzm Chain A Binding Site BS01

Receptor Information
>7pzm 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]
MDIDTYKEFGATVELLSFLPSDFFPSVRDLLDTASALYREALESPEHCSP
HHTALRQAILCWGELMTLATWVGVNLEDPASRDLVVSYVNTNMGLKFRQL
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 chain7pzm Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pzm Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		M93 L95 K96 F97 Q99 L100
Binding residue
(residue number reindexed from 1)		M93 L95 K96 F97 Q99 L100
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:7pzm, PDBe:7pzm, PDBj:7pzm
PDBsum7pzm
PubMed34834922
UniProtP03146|CAPSD_HBVD3 Capsid protein (Gene Name=C)

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