PDB entry 3sue
View 3sue on RCSB PDB site
Description: Crystal structure of NS3/4A protease variant R155K in complex with MK-5172
Class: hydrolase/inhibitor
Keywords: drug resistance, drug design, Protease inhibitors, HCV, serine protease, VIRAL PROTEIN, HYDROLASE-INHIBITOR complex
Deposited on
2011-07-11, released
2012-09-19
The last revision prior to the SCOPe 2.05 freeze date was dated
2012-09-19, with a file datestamp of
2012-09-14.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.188
AEROSPACI score: 0.38
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: NS3 protease, NS4A protein
Species: Hepatitis C virus [TaxId:31646]
Gene: NS3-NS4A
Database cross-references and differences (RAF-indexed):
- Uniprot A8DG50 (Start-20)
- see remark 999 (11)
- see remark 999 (18-19)
- Uniprot A8DG50 (21-End)
- engineered mutation (21-23)
- engineered mutation (33-34)
- engineered mutation (37-38)
- engineered mutation (41)
- engineered mutation (60)
- engineered mutation (67)
- engineered mutation (72)
- engineered mutation (92)
- engineered mutation (106)
- engineered mutation (175)
- engineered mutation (179)
Domains in SCOPe 2.05: d3suea_ - Chain 'B':
Compound: NS3 protease, NS4A protein
Species: Hepatitis C virus [TaxId:31646]
Gene: NS3-NS4A
Database cross-references and differences (RAF-indexed):
- Uniprot A8DG50 (Start-20)
- see remark 999 (11)
- see remark 999 (18-19)
- Uniprot A8DG50 (21-End)
- engineered mutation (21-23)
- engineered mutation (33-34)
- engineered mutation (37-38)
- engineered mutation (41)
- engineered mutation (60)
- engineered mutation (67)
- engineered mutation (72)
- engineered mutation (92)
- engineered mutation (106)
- engineered mutation (175)
- engineered mutation (179)
Domains in SCOPe 2.05: d3sueb_ - Chain 'C':
Compound: NS3 protease, NS4A protein
Species: Hepatitis C virus [TaxId:31646]
Gene: NS3-NS4A
Database cross-references and differences (RAF-indexed):
- Uniprot A8DG50 (Start-20)
- see remark 999 (11)
- see remark 999 (18-19)
- Uniprot A8DG50 (21-End)
- engineered mutation (21-23)
- engineered mutation (33-34)
- engineered mutation (37-38)
- engineered mutation (41)
- engineered mutation (60)
- engineered mutation (67)
- engineered mutation (72)
- engineered mutation (92)
- engineered mutation (106)
- engineered mutation (175)
- engineered mutation (179)
Domains in SCOPe 2.05: d3suec_ - Chain 'D':
Compound: NS3 protease, NS4A protein
Species: Hepatitis C virus [TaxId:31646]
Gene: NS3-NS4A
Database cross-references and differences (RAF-indexed):
- Uniprot A8DG50 (Start-20)
- see remark 999 (11)
- see remark 999 (18-19)
- Uniprot A8DG50 (21-End)
- engineered mutation (21-23)
- engineered mutation (33-34)
- engineered mutation (37-38)
- engineered mutation (41)
- engineered mutation (60)
- engineered mutation (67)
- engineered mutation (72)
- engineered mutation (92)
- engineered mutation (106)
- engineered mutation (175)
- engineered mutation (179)
Domains in SCOPe 2.05: d3sued_ - Heterogens: SUE, ZN, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3sueA (A:)
gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
trgvakavdfipveslettmrsp
Sequence, based on observed residues (ATOM records): (download)
>3sueA (A:)
gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
ipveslettm
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3sueB (B:)
gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
trgvakavdfipveslettmrsp
Sequence, based on observed residues (ATOM records): (download)
>3sueB (B:)
gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
ipveslettm
- Chain 'C':
Sequence, based on SEQRES records: (download)
>3sueC (C:)
gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
trgvakavdfipveslettmrsp
Sequence, based on observed residues (ATOM records): (download)
>3sueC (C:)
gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
ipveslettm
- Chain 'D':
Sequence, based on SEQRES records: (download)
>3sueD (D:)
gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
trgvakavdfipveslettmrsp
Sequence, based on observed residues (ATOM records): (download)
>3sueD (D:)
gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
ipveslettm