Structure of PDB 4nwl Chain A

Receptor sequence
>4nwlA (length=194) [Search protein sequence]
KGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVEGEVQIVST
ATQTFLATSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDKDLVGWQAP
QGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGS
SGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVESLETTMRSP
3D structure
PDB4nwl Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
ChainA
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H57 D81 G137 S139
Catalytic site (residue number reindexed from 1) H69 D93 G149 S151
Enzyme Commision number 3.4.21.98: hepacivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 2R9 A F43 H57 V78 D81 L135 K136 G137 S139 F154 R155 A156 A157 C159 F55 H69 V90 D93 L147 K148 G149 S151 F166 R167 A168 A169 C171
BS02 ZN A C97 C99 C145 H149 C109 C111 C157 H161
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
GO:0019087 transformation of host cell by virus

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Molecular Function
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Biological Process
External links
PDB RCSB:4nwl, PDBe:4nwl, PDBj:4nwl
PDBsum4nwl
PubMed24555570
UniProtA8DG50

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