Current Protein Identity：P27958
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1A1R HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX Deposited 1997-12-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1026–1205（180 aa）
Fragment：PROTEASE DOMAIN
Chain C
1677–1695（19 aa）
Fragment：ACTIVATION DOMAIN
|
Mutation：INS(ASMTGGQQMG) AT N-TERMINUS, INS(GSHHHHHH) AT C-TERMINUS Mutation：INS(KK) AT N-TERMINUS, C22S, INS(KK) AT C-TERMINUS | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM 1.8 M NACL, 100 MM NA/K PHOSPHATE, 10 MM B-MERCAPTOETHANOL, 100 MM MES, PH 6.5.
|
Resolution 2.50 Å R-free 0.261 |
| 1A1R HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX Deposited 1997-12-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1026–1205（180 aa）
Fragment：PROTEASE DOMAIN
Chain D
1677–1695（19 aa）
Fragment：ACTIVATION DOMAIN
|
Mutation：INS(ASMTGGQQMG) AT N-TERMINUS, INS(GSHHHHHH) AT C-TERMINUS Mutation：INS(KK) AT N-TERMINUS, C22S, INS(KK) AT C-TERMINUS | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM 1.8 M NACL, 100 MM NA/K PHOSPHATE, 10 MM B-MERCAPTOETHANOL, 100 MM MES, PH 6.5.
|
Resolution 2.50 Å R-free 0.261 |
| 1A1R HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX Deposited 1997-12-15 | Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
1026–1205（180 aa）
Fragment：PROTEASE DOMAIN
Chain B
1026–1205（180 aa）
Fragment：PROTEASE DOMAIN
Chain C
1677–1695（19 aa）
Fragment：ACTIVATION DOMAIN
Chain D
1677–1695（19 aa）
Fragment：ACTIVATION DOMAIN
|
Mutation：INS(ASMTGGQQMG) AT N-TERMINUS, INS(GSHHHHHH) AT C-TERMINUS Mutation：INS(ASMTGGQQMG) AT N-TERMINUS, INS(GSHHHHHH) AT C-TERMINUS Mutation：INS(KK) AT N-TERMINUS, C22S, INS(KK) AT C-TERMINUS Mutation：INS(KK) AT N-TERMINUS, C22S, INS(KK) AT C-TERMINUS | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM 1.8 M NACL, 100 MM NA/K PHOSPHATE, 10 MM B-MERCAPTOETHANOL, 100 MM MES, PH 6.5.
|
Resolution 2.50 Å R-free 0.261 |
| 1A1V HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA Deposited 1997-12-17 | Assembly 1 Protein–DNA Monomer；Protein × 1 PDB declaration: dimeric（2） Consistent with all polymers |
Chain A
1193–1657（465 aa）
Fragment：HELICASE DOMAIN
|
Mutation：;N-TERMINAL MET, K221Q, A277G, S301L, S332P, S410A, G530E, R582W, AND A 10 RESIDUE (GSGSHHHHHH) HISTIDINE TAG ATTACHED TO THE C-TERMINUS ; Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.20 Å R-free 0.287 |
| 1CWX SOLUTION STRUCTURE OF THE HEPATITIS C VIRUS N-TERMINAL CAPSID PROTEIN 2-45 [C-HCV(2-45)] Deposited 1999-08-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
2–45（44 aa）
Fragment：N-TERMINAL FRAGMENT
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 5.9；293 K；Ionic strength (raw mmCIF value) 0.1M NACL；Pressure AMBIENT
NMR sample composition
40% D2-TRIFLUOROETHANOL;0.01M SODIUM PHOSPHATE;0.1M NACL
|
Resolution not provided |
| 1HEI STRUCTURE OF THE HEPATITIS C VIRUS RNA HELICASE DOMAIN Deposited 1997-03-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1206–1656（451 aa）
Chain B
1206–1656（451 aa）
|
Not recorded | CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；50MM CA ACETATE, 20MM NACACODYLATE PH 6.5, 8% PEG5000
|
Resolution 2.10 Å R-free 0.320 |
| 1JR6 Solution Structure of an Engineered Arginine-rich Subdomain 2 of the Hepatitis C Virus NS3 RNA Helicase Deposited 2001-08-10 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1353–1507（155 aa）
Fragment：arginine-rich subdomain 2
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 75 mM KiPO4；Pressure ambient
NMR sample composition
0.6 mM, U-15N,13C; | 75 mM PHOSPHATE BUFFER; 5 mM DTT, 90%H2O, 10%D2O, 0.015% NaN3
NMR sample composition
0.6 mM, U-15N,13C; | 75 mM PHOSPHATE BUFFER; 5 mM DTT, 99%D2O, 0.015% NaN3
NMR sample composition
0.3 mM, U-15N | 75 mM PHOSPHATE BUFFER; 5 mM DTT, 90%H2O, 10%D2O, 0.015% NaN3
|
Resolution not provided |
| 1N1L CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) Deposited 2002-10-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1026–1205（180 aa）
Fragment：Protease domain
|
Mutation：A164T | ZN ZINC ION × 1 TRL {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；Inhibitor soaked into crystal generated according to Kim et al. (1996) Cell, 87, 343-355, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
|
Resolution 2.60 Å R-free 0.220 |
| 1N1L CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) Deposited 2002-10-18 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1026–1205（180 aa）
Fragment：Protease domain
|
Mutation：A164T | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；Inhibitor soaked into crystal generated according to Kim et al. (1996) Cell, 87, 343-355, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
|
Resolution 2.60 Å R-free 0.220 |
| 1N1L CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) Deposited 2002-10-18 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
1026–1205（180 aa）
Fragment：Protease domain
Chain B
1026–1205（180 aa）
Fragment：Protease domain
|
Mutation：A164T Mutation：A164T | ZN ZINC ION × 2 TRL {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；Inhibitor soaked into crystal generated according to Kim et al. (1996) Cell, 87, 343-355, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
|
Resolution 2.60 Å R-free 0.220 |
| 1ONB Solution structure of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase Deposited 2003-02-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1353–1507（155 aa）
Fragment：Arginine-rich subdomain 2
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 75 mM KIPO4；Pressure ambient
NMR sample composition
0.6 mM, U-15N,13C | 90% H2O/10% D2O
NMR sample composition
0.6 mM, U-15N,13C | 99.9%D2O
|
Resolution not provided |
| 1R7C NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure, Sample in 50% tfe) Deposited 2003-10-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1973–2003（31 aa）
Fragment：Nonstructural protein NS5A (P56)(residues 1973-2003 OF SWISS-PROT SEQUENCE P27958)
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 4.5；293 K；Pressure ambient
NMR sample composition
1.2mM NS5A[1-31], 10mM DTTd10 | H2O/TFEd2 50/50 (v/v)
|
Resolution not provided |
| 1R7D NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Ensemble of 51 structures, sample in 50% tfe) Deposited 2003-10-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1973–2003（31 aa）
Fragment：Nonstructural protein NS5A (P56)(residues 1973-2003 of Swiss-Prot sequence P27958)
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 4.5；293 K；Pressure ambient
NMR sample composition
1.2mM NS5A[1-31], 10mM DTTd10 | H2O/TFEd2 50/50 (v/v)
|
Resolution not provided |
| 1R7E NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure. Sample in 100mM SDS). Deposited 2003-10-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1973–2003（31 aa）
Fragment：Nonstructural protein NS5A (P56)(residues 1973-2003 OF SWISS-PROT SEQUENCE P27958)
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6；313 K；Pressure ambient
NMR sample composition
1.2mM NS5A[1-31], 10mM DTTd10 | 100mM SDS in H2O/D2O 95/5 (v/v)
|
Resolution not provided |
| 1R7F NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Ensemble of 43 structures. Sample in 100mM SDS) Deposited 2003-10-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1973–2003（31 aa）
Fragment：Nonstructural protein NS5A (P56)(residues 1973-2003 of Swiss-Prot sequence P27958)
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6；313 K；Pressure ambient
NMR sample composition
1.2mM NS5A[1-31], 10mM DTTd10 | 100mM SDS in H2O/D2O 95/5 (v/v)
|
Resolution not provided |
| 1R7G NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure, Sample in 100mM DPC) Deposited 2003-10-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1973–2003（31 aa）
Fragment：Nonstructural protein NS5A (P56)(residues 1973-2003 OF SWISS-PROT SEQUENCE P27958)
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6；313 K；Pressure ambient
NMR sample composition
1.2mM NS5A[1-31], 10mM DTTd10 | 100mM DPC in H2O/D2O 95/5 (v/v)
|
Resolution not provided |
| 1RGQ M9A HCV Protease complex with pentapeptide keto-amide inhibitor Deposited 2003-11-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
1026–1206（181 aa）
Fragment：RESIDUES 1027-1207
Chain B
1026–1206（181 aa）
Fragment：RESIDUES 1027-1207
|
Not recorded | ZN ZINC ION × 2 AKP N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2M N/KPO4, 2.0M NaCl, 10mM MES, 15% glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.90 Å R-free 0.312 |
| 2HD0 Structure of the catalytic domain of hepatitis C virus NS2 Deposited 2006-06-19 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
902–1025（124 aa）
Fragment：protease domain of NS2
Chain B
902–1025（124 aa）
Fragment：protease domain of NS2
|
Not recorded | BOG octyl beta-D-glucopyranoside × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris pH 8.5
0.8 M Ammonium Acetate
0.25 M Lithium Chloride
12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.28 Å R-free 0.268 |
| 2HD0 Structure of the catalytic domain of hepatitis C virus NS2 Deposited 2006-06-19 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
902–1025（124 aa）
Fragment：protease domain of NS2
Chain D
902–1025（124 aa）
Fragment：protease domain of NS2
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris pH 8.5
0.8 M Ammonium Acetate
0.25 M Lithium Chloride
12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.28 Å R-free 0.268 |
| 2HD0 Structure of the catalytic domain of hepatitis C virus NS2 Deposited 2006-06-19 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
902–1025（124 aa）
Fragment：protease domain of NS2
Chain F
902–1025（124 aa）
Fragment：protease domain of NS2
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris pH 8.5
0.8 M Ammonium Acetate
0.25 M Lithium Chloride
12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.28 Å R-free 0.268 |
| 2HD0 Structure of the catalytic domain of hepatitis C virus NS2 Deposited 2006-06-19 | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain G
902–1025（124 aa）
Fragment：protease domain of NS2
Chain H
902–1025（124 aa）
Fragment：protease domain of NS2
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris pH 8.5
0.8 M Ammonium Acetate
0.25 M Lithium Chloride
12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.28 Å R-free 0.268 |
| 2HD0 Structure of the catalytic domain of hepatitis C virus NS2 Deposited 2006-06-19 | Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain I
902–1025（124 aa）
Fragment：protease domain of NS2
Chain J
902–1025（124 aa）
Fragment：protease domain of NS2
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 DMU DECYL-BETA-D-MALTOPYRANOSIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris pH 8.5
0.8 M Ammonium Acetate
0.25 M Lithium Chloride
12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.28 Å R-free 0.268 |
| 2HD0 Structure of the catalytic domain of hepatitis C virus NS2 Deposited 2006-06-19 | Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain K
902–1025（124 aa）
Fragment：protease domain of NS2
Chain L
902–1025（124 aa）
Fragment：protease domain of NS2
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris pH 8.5
0.8 M Ammonium Acetate
0.25 M Lithium Chloride
12% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.28 Å R-free 0.268 |
| 2JXF The solution structure of HCV NS4B(40-69) Deposited 2007-11-19 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1751–1780（30 aa）
Fragment：Non-structural protein 4B, UNP residues 1751-1780
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
1mM NS4B(40-69); 50% v/v Trifluoro Ethanol D2OH; 50% v/v H2O | 50% v/v Trifluoro Ethanol D2OH; 50% v/v H2O
|
Resolution not provided |
| 2KDR Solution structure of HCV NS4B(227-254) Deposited 2009-01-15 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain X
1938–1965（28 aa）
Fragment：UNP residues 1938-1965
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6；298 K；Ionic strength (raw mmCIF value) none；Pressure ambient
NMR sample composition
2mM protein-1, 50% v/v Trifluoro Ethanol D2OH; 50% v/v H2O | 50% v/v Trifluoro Ethanol D2OH; 50% v/v H2O
|
Resolution not provided |
| 2N1P Structure of the C-terminal membrane domain of HCV NS5B protein Deposited 2015-04-15 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
2982–3011（30 aa）
Fragment：C-terminal domain (UNP residues 2982-3011)
|
Mutation：C14S | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
298 K；Pressure ambient
NMR sample composition
1.4 mM protein, 1 M [U-2H] SDS, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 2O8M Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease Deposited 2006-12-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain C
1677–1695（19 aa）
Chain D
1677–1695（19 aa）
|
Not recorded | ZN ZINC ION × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；1.25 to 1.5M NaCl, 0.1 M MES, .1M Na/K PO4, 5mM beta-mercaptoethanol, pH 5.6-6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.228 |
| 2OBQ Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization Deposited 2006-12-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1677–1695（19 aa）
Chain D
1677–1695（19 aa）
|
Mutation：C22S Mutation：C22S | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；The protein (NS3 complexed with KK-NS4a(21-39)-KK peptide) was at 12-15 mg/ml in 15 mM MES, pH 6.5 1 M NaCl 20 mM b-mercaptoethanol. Hanging Drops were formed by mixing 4:l protein solution with 4:l {0.75-1.0 M NaCl, 0.1M Na/K phosphate 0.1 M Mes, pH 5.8-6.1 20 mM b-mercaptoethanol}
The drop was equilibrated the drops over 1 ml {(1.25-1.50 M) NaCl - 0.1M Na/K phosphate 0.1 M Mes, pH 5.6-5.8, 20 mM b-mercaptoethanol}
, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.264 |
| 2XI2 HCV-H77 NS5B Apo Polymerase Deposited 2010-06-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
2421–2990（570 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 2421-2990
|
Mutation：YES | SO4 SULFATE ION × 7 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；MES 0.1M PH 6.5, AMMONIUM SULFATE 0.2M, PEG 5000 MONOMETHYL ETHER
|
Resolution 1.80 Å R-free 0.207 |
| 2XI2 HCV-H77 NS5B Apo Polymerase Deposited 2010-06-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
2421–2990（570 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 2421-2990
|
Mutation：YES | SO4 SULFATE ION × 7 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；MES 0.1M PH 6.5, AMMONIUM SULFATE 0.2M, PEG 5000 MONOMETHYL ETHER
|
Resolution 1.80 Å R-free 0.207 |
| 2XI2 HCV-H77 NS5B Apo Polymerase Deposited 2010-06-25 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
2421–2990（570 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 2421-2990
|
Mutation：YES | SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；MES 0.1M PH 6.5, AMMONIUM SULFATE 0.2M, PEG 5000 MONOMETHYL ETHER
|
Resolution 1.80 Å R-free 0.207 |
| 2XI3 HCV-H77 NS5B Polymerase Complexed With GTP Deposited 2010-06-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
2421–2990（570 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 2421-2990
|
Mutation：YES | GTP GUANOSINE-5'-TRIPHOSPHATE × 3 MG MAGNESIUM ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；MES 50MM PH 6.5, AMMONIUM SULFATE 0.2M, AMMONIUM ACETATE 0.25M, PEG 1000 25%-30%
|
Resolution 1.70 Å R-free 0.198 |
| 2XI3 HCV-H77 NS5B Polymerase Complexed With GTP Deposited 2010-06-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
2421–2990（570 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 2421-2990
|
Mutation：YES | GTP GUANOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；MES 50MM PH 6.5, AMMONIUM SULFATE 0.2M, AMMONIUM ACETATE 0.25M, PEG 1000 25%-30%
|
Resolution 1.70 Å R-free 0.198 |
| 4JZN Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC84-1 Deposited 2013-04-03 | Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain K
434–446（13 aa）
Fragment：Residues 434-446 of HCV strain H77 polyprotein
|
Not recorded | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100mM TRIS pH 8.0
19% PEG4000
170mM Lithium Sulfate
15% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.05 Å R-free 0.235 |
| 4JZO Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC84-27 Deposited 2013-04-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain J
434–446（13 aa）
Fragment：Residues 434-446 of HCV strain H77 polyprotein
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；23% PEG 3350
250mM Sodium Thiocyanate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.22 Å R-free 0.236 |
| 4JZO Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC84-27 Deposited 2013-04-03 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain K
434–446（13 aa）
Fragment：Residues 434-446 of HCV strain H77 polyprotein
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；23% PEG 3350
250mM Sodium Thiocyanate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.22 Å R-free 0.236 |
| 4JZO Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC84-27 Deposited 2013-04-03 | Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain I
434–446（13 aa）
Fragment：Residues 434-446 of HCV strain H77 polyprotein
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；23% PEG 3350
250mM Sodium Thiocyanate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.22 Å R-free 0.236 |
| 4JZO Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC84-27 Deposited 2013-04-03 | Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain L
434–446（13 aa）
Fragment：Residues 434-446 of HCV strain H77 polyprotein
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；23% PEG 3350
250mM Sodium Thiocyanate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.22 Å R-free 0.236 |
| 4MWF Structure of Hepatitis C Virus Envelope Glycoprotein E2 core bound to broadly neutralizing antibody AR3C Deposited 2013-09-24 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain D
412–459（48 aa）
Chain D
486–645（160 aa）
|
Mutation：N448D, N576D Mutation：N448D, N576D | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；20% (w/v) PEG 4000, 10% (v/v) isopropanol, and 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.65 Å R-free 0.270 |
| 4MWF Structure of Hepatitis C Virus Envelope Glycoprotein E2 core bound to broadly neutralizing antibody AR3C Deposited 2013-09-24 | Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
412–459（48 aa）
Chain C
486–645（160 aa）
|
Mutation：N448D, N576D Mutation：N448D, N576D | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；20% (w/v) PEG 4000, 10% (v/v) isopropanol, and 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.65 Å R-free 0.270 |
| 4Q0X Crystal structure of non-neutralizing antibody in complex with Epitope II of HCV E2 Deposited 2014-04-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain E
421–446（26 aa）
Fragment：epitope II (UNP residues 421-446)
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1 M imidazole, 14% w/v PEG550 MME, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.285 |
| 5FGB Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC33.4 Deposited 2015-12-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain F
405–425（21 aa）
|
Not recorded | GOL GLYCEROL × 2 SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；100 mM sodium citrate pH 5.2
300 mM ammonium sulfate
100 mM potassium phosphate
1 M lithium chloride
|
Resolution 1.65 Å R-free 0.190 |
| 5FGB Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC33.4 Deposited 2015-12-20 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain G
405–425（21 aa）
|
Not recorded | GOL GLYCEROL × 2 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；100 mM sodium citrate pH 5.2
300 mM ammonium sulfate
100 mM potassium phosphate
1 M lithium chloride
|
Resolution 1.65 Å R-free 0.190 |
| 5FGC Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC33.8 Deposited 2015-12-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
405–425（21 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；32% PEG 4000
100 mM Tris-HCl pH 8.5
800 mM lithium chloride
Crystals obtained using heterologous microseeding.
|
Resolution 1.90 Å R-free 0.236 |