Compound three letter code : TSV
 
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Entry Information
Entry status  (1)
REL
(8)
 
Experimental methods  (1)
X-ray diffraction
(8)
 
Authors  (29)
Schiffer CA
(7)
Ali A
(5)
Romano KP
(4)
Soumana D
(4)
Aydin C
(3)
Cao H
(3)
Deveau LM
(3)
Huang W
(3)
Newton A
(3)
Ozen A
(3)
Petropoulos CJ
(3)
Silver C
(3)
Matthew AN
(2)
Baker D
(1)
Brunette TJ
(1)
Cunningham-Bryant D
(1)
Foight GW
(1)
Jr Greisen P
(1)
Kurt Yilmaz N
(1)
Maly DJ
(1)
Park K
(1)
Prachanronarong KL
(1)
Royer WE
(1)
Sheffler W
(1)
Soumana DI
(1)
Wang Z
(1)
Warner KM
(1)
Wei CT
(1)
Yilmaz NK
(1)
 
Homo / hetero assembly  (2)
homo
(7)
hetero
(1)
 
Assembly composition  (2)
protein structure
(7)
protein/protein complex
(1)
 
Assembly polymer count  (2)
monomer
(7)
dimer
(1)
 
Resolution distribution
1.0 - 1.5
(5)
1.5 - 2
(2)
2.0 - 2.5
(1)
 
Release year distribution
2005 - 2010
(1)
2010 - 2015
(4)
2015 - 2020
(4)
 
Journal  (5)
PLoS Pathog
(3)
To be published
(2)
J Am Chem Soc
(1)
Nat Biotechnol
(1)
Proc Natl Acad Sci U S A
(1)
 
Macromolecules
Organism superkingdom  (1)
Viruses
(8)
 
Organism name  (3)
hepatitis C virus genotype 1a
(5)
Hepacivirus hominis
(3)
synthetic construct
(1)
 
Molecule name  (40)
Genome polyprotein
(6)
Polyprotein
(5)
NS3 protease
(3)
Peptidase S29 domain-containing protein
(2)
Capsid protein C
(1)
Core protein precursor
(1)
Envelope glycoprotein E1
(1)
Envelope glycoprotein E2
(1)
Hepacivirin
(1)
Mature core protein
(1)
NS1
(1)
NS2
(1)
NS3 helicase
(1)
NS3/4A
(1)
NS3P
(1)
NS4A
(1)
NS4A COFACTOR-NS3 PROTEIN CHIMERA
(1)
NS4B
(1)
NS5A
(1)
NS5B
(1)
Non-structural protein 2
(1)
Non-structural protein 4A
(1)
Non-structural protein 4B
(1)
Non-structural protein 5A
(1)
Protease NS2
(1)
RNA-directed RNA polymerase
(1)
Rosetta-designed danoprevir/NS3a complex reader 2
(1)
Serine protease/helicase NS3
(1)
Viroporin p7
(1)
Viroporin p70
(1)
gp32
(1)
gp35
(1)
gp68
(1)
gp70
(1)
p21
(1)
p23
(1)
p27
(1)
p56/58
(1)
p68
(1)
p8
(1)
 
Molecule type  (1)
Protein
(8)
 
Interacting Molecules  (2)
Rosetta-designed danoprevir/NS3a complex reader 2
(1)
Serine protease/helicase NS3
(1)
 
Interacting ligands  (4)
TSV : (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate
(8)
ZN : ZINC ION
(8)
SO4 : SULFATE ION
(7)
GOL : GLYCEROL
(1)
 
Function and Biology
EC number / name  (4)
3.6.4.13 : RNA helicase
(8)
3.4.21.98 : Hepacivirin
(6)
3.6.1.15 : Nucleoside-triphosphate phosphatase
(6)
2.7.7.48 : RNA-directed RNA polymerase
(1)
 
Biological function  (4)
serine-type peptidase activity
(8)
hydrolase activity
(2)
metal ion binding
(2)
peptidase activity
(2)
 
Biological process  (5)
proteolysis
(8)
symbiont-mediated transformation of host cell
(8)
symbiont entry into host cell
(2)
virion attachment to host cell
(2)
carbohydrate metabolic process
(1)
 
Biological cell component  (5)
host cell
(2)
host cell membrane
(2)
membrane
(2)
virion component
(2)
virion membrane
(2)
 
Sequence and Structure classification
CATH class  (1)
Mainly Beta
(7)
 
CATH topology  (1)
Thrombin, subunit H
(7)
 
Representative Structures
Representative Structures
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Entries 1 to 8 of 8
Entries 1 to 8 of 8
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Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex
Wang Z, Foight GW, Baker D, Maly DJ
Nat Biotechnol (2019) [PMID: 31501561  ]
Assembly composition: protein/protein complex
Bound ligands: ZN    TSV    SO4    ZN   
Assembly name: Serine protease/helicase NS3 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-150819 (Preferred)   search this ID
PDBe-KB: P26664   
X-ray diffraction
2.29Å resolution
Released: 11 Sep 2019
Model geometry
Data not analysed
Fit model/data
Data not analysed
6n4n
6n4n
6n4n
Crystal structure of HCV NS3/4A protease variant Y56H in complex with danoprevir
Matthew AN, Schiffer CA
To be published
Source organism: Hepacivirus hominis  
Assembly composition: protein only structure
Bound ligands: GOL    ZN    TSV    ZN   
Assembly name: Peptidase S29 domain-containing protein (Preferred)   search this complex
PDBe complex ID: PDB-CPX-111144 (Preferred)   search this ID
PDBe-KB: C1KIK8   
X-ray diffraction
1.179Å resolution
Released: 16 Jan 2019
Model geometry
Fit model/data
6c2o
6c2o
6c2o
Crystal structure of HCV NS3/4A double mutant variant Y56H/D168A in complex with danoprevir
Matthew AN, Schiffer CA
To be published
Assembly composition: protein only structure
Bound ligands: ZN    TSV    SO4    ZN   
Assembly name: NS3/4A (Preferred)   search this complex
PDBe complex ID: PDB-CPX-108606 (Preferred)   search this ID
PDBe-KB: A8DG50   
X-ray diffraction
1.802Å resolution
Released: 16 Jan 2019
Model geometry
Fit model/data
6c2n
6c2n
6c2n
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir
Soumana D, Yilmaz NK, Ali A, Prachanronarong KL, Schiffer CA
J Am Chem Soc (2016) [PMID: 27512818  ]
Source organism: Hepacivirus hominis  
Assembly composition: protein only structure
Bound ligands: ZN    TSV    SO4    ZN   
Assembly name: Peptidase S29 domain-containing protein (Preferred)   search this complex
PDBe complex ID: PDB-CPX-100993 (Preferred)   search this ID
PDBe-KB: A0A0B4WYC6   
X-ray diffraction
1.96Å resolution
Released: 23 Nov 2016
Model geometry
Fit model/data
5eqr
5eqr
5eqr
Crystal structure of NS3/4A protease variant D168A in complex with danoprevir
Schiffer CA, Romano KP
PLoS Pathog (2012) [PMID: 22910833  ]
Assembly composition: protein only structure
Bound ligands: ZN    TSV    SO4    ZN   
Assembly name: NS3/4A (Preferred)   search this complex
PDBe complex ID: PDB-CPX-108606 (Preferred)   search this ID
PDBe-KB: A8DG50   
X-ray diffraction
1.399Å resolution
Released: 5 Sep 2012
Model geometry
Fit model/data
3su1
3su1
3su1
Crystal structure of NS3/4A protease variant R155K in complex with danoprevir
Schiffer CA, Romano KP
PLoS Pathog (2012) [PMID: 22910833  ]
Assembly composition: protein only structure
Bound ligands: ZN    TSV    SO4    ZN   
Assembly name: NS3/4A (Preferred)   search this complex
PDBe complex ID: PDB-CPX-108606 (Preferred)   search this ID
PDBe-KB: A8DG50   
X-ray diffraction
1.159Å resolution
Released: 5 Sep 2012
Model geometry
Fit model/data
3su0
3su0
3su0
Crystal structure of NS3/4A protease variant A156T in complex with danoprevir
Schiffer CA, Romano KP
PLoS Pathog (2012) [PMID: 22910833  ]
Assembly composition: protein only structure
Bound ligands: ZN    TSV    SO4    ZN   
Assembly name: NS3/4A (Preferred)   search this complex
PDBe complex ID: PDB-CPX-108606 (Preferred)   search this ID
PDBe-KB: A8DG50   
X-ray diffraction
1.496Å resolution
Released: 5 Sep 2012
Model geometry
Fit model/data
3su2
3su2
3su2
Crystal structure of HCV NS3/4A protease in complex with ITMN-191
Schiffer CA, Romano KP
Proc Natl Acad Sci U S A (2010) [PMID: 21084633  ]
Assembly composition: protein only structure
Bound ligands: ZN    TSV    SO4    ZN   
Assembly name: NS3/4A (Preferred)   search this complex
PDBe complex ID: PDB-CPX-108606 (Preferred)   search this ID
PDBe-KB: A8DG50   
X-ray diffraction
1.25Å resolution
Released: 24 Nov 2010
Model geometry
Fit model/data
3m5l
3m5l
3m5l
Entries 1 to 8 of 8
Entries 1 to 8 of 8