PDB entry 4nwk
View 4nwk on RCSB PDB site
Description: Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
Class: hydrolase/hydrolase inhibitor
Keywords: HYDROLASE/HYDROLASE INHIBITOR, SERINE PROTEASE, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2013-12-06, released
2014-03-26
The last revision prior to the SCOPe 2.08 freeze date was dated
2017-08-09, with a file datestamp of
2017-08-04.
Experiment type: XRAY
Resolution: 1.62 Å
R-factor: N/A
AEROSPACI score: 0.43
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: HCV NS3 1a Protease
Species: Hepatitis C virus [TaxId:31646]
Database cross-references and differences (RAF-indexed):
- Uniprot A8DG50 (4-14)
- see remark 999 (5)
- see remark 999 (12-13)
- linker (15-18)
- Uniprot A8DG50 (19-End)
- engineered mutation (27-28)
- engineered mutation (31-32)
- engineered mutation (35)
- engineered mutation (54)
- engineered mutation (61)
- engineered mutation (66)
- engineered mutation (86)
- engineered mutation (100)
Domains in SCOPe 2.08: d4nwka_ - Heterogens: 2R8, ZN, SO4, GOL, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4nwkA (A:)
mkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtfla
tsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdly
lvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavctrgvak
avdfipveslettmrspairapstslrphssttttttei
Sequence, based on observed residues (ATOM records): (download)
>4nwkA (A:)
gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavctrgvakavdf
ipveslet