Structure of PDB 8w9g Chain E Binding Site BS02

Receptor Information
>8w9g Chain E (length=150) Species: 10419 (Hepatitis B virus subtype adyw) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIDPYKEFGATVELLSFLPSDFFPSVRDLLDTAAALYRDALESPEHCSP
HHTALRQAILCWGDLMTLATWVGTNLEDPASRDLVVSYVNTNVGLKFRQL
LWFHISCLTFGRETVLEYLVSFGVWIRTPPAARPPNAPILSTVVENLYFQ
Ligand information
Ligand ID5PT
InChIInChI=1S/C21H16F2N2O2/c1-13-5-2-3-8-18(13)25-21(27)17-7-4-6-16(19(17)23)20(26)24-15-11-9-14(22)10-12-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeySMISTEYAZXJEGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccccc1NC(=O)c2cccc(c2F)C(=O)Nc3ccc(cc3)F
CACTVS 3.385Cc1ccccc1NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F
FormulaC21 H16 F2 N2 O2
Name2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide
ChEMBL
DrugBank
ZINC
PDB chain8w9g Chain E Residue 201 [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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PDB8w9g Screening systems for the detection of hepatitis B virus replication and capsid assembly
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L30 T33 W102 Y118 L140
Binding residue
(residue number reindexed from 1)		L30 T33 W102 Y118 L140
Annotation score1
External links
PDB RCSB:8w9g, PDBe:8w9g, PDBj:8w9g
PDBsum8w9g
PubMed
UniProtP03147|CAPSD_HBVD1 Capsid protein (Gene Name=C)

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