Structure of PDB 2ax1 Chain B Binding Site BS01

Receptor Information
>2ax1 Chain B (length=561) [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
RHRARNVRARLLSRGGRAAICGKYLFNWAVKTKLKLTPIAAAGLDLSSWF
TAGYSGGDIYH
Ligand information
Ligand ID5EE
InChIInChI=1S/C14H10Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-6,11,17H,7H2/t11-/m1/s1
InChIKeyGAOOBYJHWAKZKU-LLVKDONJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(sc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(c(c3)Cl)Cl
ACDLabs 10.04O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Cl)c(Cl)c2)c3sccc3
OpenEye OEToolkits 1.5.0c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl
CACTVS 3.341Clc1ccc(C[C@H]2SC(=S)N(N[S](=O)(=O)c3sccc3)C2=O)cc1Cl
CACTVS 3.341Clc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3sccc3)C2=O)cc1Cl
FormulaC14 H10 Cl2 N2 O3 S4
Name5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
ChEMBL
DrugBankDB07169
ZINCZINC000016051794
PDB chain2ax1 Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ax1 SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F193 P197 R200 C366 L384 G410 M414 Y415 I447 Y448
Binding residue
(residue number reindexed from 1)		F193 P197 R200 C366 L384 G410 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:2ax1, PDBe:2ax1, PDBj:2ax1
PDBsum2ax1
PubMed16451069
UniProtP26663|POLG_HCVBK Genome polyprotein

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