Structure of PDB 2awz Chain A Binding Site BS01

Receptor Information
>2awz Chain A (length=557) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSYTWTGALITPCAAEESKLPINALSNSLLRHHNMVYATTSRSAGLRQK
KVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSAKSK
FGYGAKDVRNLSSKAVNHIHSVWKDLLEDTVTPIDTTIMAKNEVFCVQPE
KGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQVVMGSSYGFQYSPGQR
VEFLVNTWKSKKNPMGFSYDTRCFDSTVTENDIRVEESIYQCCDLAPEAR
QAIKSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKAS
AACRAAKLQDCTMLVNGDDLVVICESAGTQEDAASLRVFTEAMTRYSAPP
GDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETA
RHTPVNSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGA
CYSIEPLDLPQIIERLHGLSAFSLHSYSPGEINRVASCLRKLGVPPLRAW
RHRARNVRARLLSRGGRAAICGKYLFNWAVKTKLKLTPIADLSSWFTAGY
SGGDIYH
Ligand information
Ligand ID5H
InChIInChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
InChIKeyZUOVUVKEEZXELB-CQSZACIVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br
CACTVS 3.341Brc1ccc(C[C@H]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(cc3)Br
CACTVS 3.341Brc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3ccccc3)C2=O)cc1
FormulaC16 H13 Br N2 O3 S3
Name5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
ChEMBL
DrugBank
ZINCZINC000016051793
PDB chain2awz Chain A Residue 801 [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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PDB2awz SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		P197 C366 N411 M414 Y415 I447 Y448
Binding residue
(residue number reindexed from 1)		P197 C366 N411 M414 Y415 I447 Y448
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:2awz, PDBe:2awz, PDBj:2awz
PDBsum2awz
PubMed16451069
UniProtP26663|POLG_HCVBK Genome polyprotein

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