Structure of PDB 3ciz Chain B Binding Site BS01

Receptor Information
>3ciz Chain B (length=563) Species: 31647 (Hepatitis C virus subtype 1b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMSYTWTGALITPCAAEESKLPINALSNSLLRHHNMVYATTSRSAGLRQ
KKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSAKS
KFGYGAKDVRNLSSKAVNHIHSVWKDLLEDTVTPIDTTIMAKNEVFCVQP
EGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQVVMGSSYGFQYSPGQRV
EFLVNTWKSKKNPMGFSYDTRCFDSTVTENDIRVEESIYQCCDLAPEARQ
AIKSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKASA
ACRAAKLQDCTMLVNGDDLVVICESAGTQEDAASLRVFTEAMTRYSAPPG
DPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETAR
HTPVNSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGAC
YSIEPLDLPQIIERLHGLSAFSLHSYSPGEINRVASCLRKLGVPPLRVWR
HRARSVRARLLSQGGRAATCGKYLFNWAVKTKLKLTPIPAASRLDLSGWF
VAGYSGGDIYHSL
Ligand information
Ligand IDSX1
InChIInChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyCUKXRHLWPSBCTI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1cc(C(=O)O)c(N)cc1
OpenEye OEToolkits 1.5.0c1cc(c(cc1Br)C(=O)O)N
CACTVS 3.341Nc1ccc(Br)cc1C(O)=O
FormulaC7 H6 Br N O2
Name2-amino-5-bromobenzoic acid
ChEMBLCHEMBL1236103
DrugBank
ZINCZINC000000152502
PDB chain3ciz Chain B Residue 572 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ciz Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		L419 R422 M423 W528
Binding residue
(residue number reindexed from 1)		L418 R421 M422 W527
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.21.98: hepacivirin.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0039694 viral RNA genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:3ciz, PDBe:3ciz, PDBj:3ciz
PDBsum3ciz
PubMed18400495
UniProtP26663|POLG_HCVBK Genome polyprotein

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