4wtg

CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH SOFOSBUVIR DIPHOSPHATE GS-607596, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU

Method: X-RAY DIFFRACTION D_max: 74.6 Å Quality: REASONABLE

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

RNA-directed RNA polymerase

Hepatitis C virus JFH-1

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白–RNA 单体蛋白 × 1 RNA 2 PDB 声明：trimeric（3）与全部聚合物数一致	链 A； UniProt 2443–3012	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker	RNA PRIMER TEMPLATE CAAAAUUU × 2 MN MANGANESE (II) ION × 3 6GS 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED, INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 12 MM MNCL2, 20 MM GS-607596, 4 MM 5'-CAAAAUUU WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 251148C4, UNIQUE PUCK ID MCI3-1, PH 6.6	分辨率 2.90 Å R-free 0.232

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 4WTG	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
2KZQ s34r Structure 提交 2010-06-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 684–719（36 aa）片段：E2[296-331] segment, UNP residues 684-719	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 6；298 K；压力 ambient NMR样品组成 50 % trifluoroethanol; 50% H2O; 0.01% DSS; trifluoroethanol/water \| trifluoroethanol/water	分辨率未提供
2LIF Solution Structure of KKGF 提交 2011-08-29	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 171–195（25 aa）片段：UNP residues 171-195	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 298 K；压力 ambient NMR样品组成 2 mM kkgf, 0.01 mM DSS, trifluoroethanol/water \| trifluoroethanol/water	分辨率未提供
2LVG NMR structure of HCV Non-structural protein AB, NS4B(1-40) 提交 2012-07-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1716–1755（40 aa）片段：UNP residues 1716-1755	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 5；298 K；压力 ambient NMR样品组成 40 v/v H2O, 10 v/v [U-100% 2H] D2O, 50 v/v [U-100% 2H] TFE, 0.2 uM DSS, trifluoroethanol/water \| trifluoroethanol/water	分辨率未提供
2XXD HCV-JFH1 NS5B polymerase structure at 1.9 angstrom 提交 2010-11-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2443–3005（563 aa）片段：CATALYTIC DOMAIN, RESIDUES 2443-3005	未记录	PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.2M SODIUM PHOSPHATE PH 6.5, 12% PEG3350.	分辨率 1.88 Å R-free 0.206
2XYM HCV-JFH1 NS5B T385A mutant 提交 2010-11-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2443–3005（563 aa）片段：CATALYTIC DOMAIN, RESIDUES 2443-3005	突变：YES	PO4 PHOSPHATE ION × 14	X-RAY DIFFRACTION X-ray结晶条件 0.2M NAH2PO4, 2-5% PEG 35.000	分辨率 1.77 Å R-free 0.222
3I5K Crystal structure of the NS5B polymerase from Hepatitis C Virus (HCV) strain JFH1 提交 2009-07-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2443–3007（565 aa）片段：N-terminal catalytic region, UNP residues 2443-3007	未记录	PO4 PHOSPHATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；6 to 7% PEG20000, 0.2M NaH2PO4, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.228
3I5K Crystal structure of the NS5B polymerase from Hepatitis C Virus (HCV) strain JFH1 提交 2009-07-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2443–3007（565 aa）片段：N-terminal catalytic region, UNP residues 2443-3007	未记录	PO4 PHOSPHATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；6 to 7% PEG20000, 0.2M NaH2PO4, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.228
3I5K Crystal structure of the NS5B polymerase from Hepatitis C Virus (HCV) strain JFH1 提交 2009-07-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 2443–3007（565 aa）片段：N-terminal catalytic region, UNP residues 2443-3007	未记录	PO4 PHOSPHATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；6 to 7% PEG20000, 0.2M NaH2PO4, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.228
3I5K Crystal structure of the NS5B polymerase from Hepatitis C Virus (HCV) strain JFH1 提交 2009-07-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 2443–3007（565 aa）片段：N-terminal catalytic region, UNP residues 2443-3007	未记录	PO4 PHOSPHATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；6 to 7% PEG20000, 0.2M NaH2PO4, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.228
4AEP HCV-JFH1 NS5B POLYMERASE STRUCTURE AT 1.8 ANGSTROM 提交 2012-01-12	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2442–3013（572 aa）片段：CATALYTIC DOMAIN, RESIDUES 2442-3013	未记录	PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.2 M SODIUM PHOSPHATE PH 6.5, 8-12% PEG 3350	分辨率 1.80 Å R-free 0.227
4AEX HCV-JFH1 NS5B POLYMERASE STRUCTURE AT 2.4 ANGSTROM in a primitive orthorhombic space group 提交 2012-01-12	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2442–3013（572 aa）片段：CATALYTIC DOMAIN, RESIDUES 2442-3013	未记录	PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.2 M SODIUM PHOSPHATE PH 6.5, 8-12% PEG 3350	分辨率 2.41 Å R-free 0.230
4AEX HCV-JFH1 NS5B POLYMERASE STRUCTURE AT 2.4 ANGSTROM in a primitive orthorhombic space group 提交 2012-01-12	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2442–3013（572 aa）片段：CATALYTIC DOMAIN, RESIDUES 2442-3013	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；0.2 M SODIUM PHOSPHATE PH 6.5, 8-12% PEG 3350	分辨率 2.41 Å R-free 0.230
4E76 Apo crystal structure of HCV NS5B genotype 2A JFH-1 isolate with beta hairpin loop deletion 提交 2012-03-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2443–2885（443 aa）片段：SEE REMARK 999 链 A 2896–3012（117 aa）片段：SEE REMARK 999	突变：E86Q, E87Q, Delta8 replaced with GG 突变：E86Q, E87Q, Delta8 replaced with GG	SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.9；289 K；3.95 mg/mL NS5B in 20 mM Tris, pH 8, 200 mM sodium chloride, 20% glycerol, 2 mM TCEP, 200 mM imidazole against 30% PEG550 MME, 0.1 M Bis-Tris propane, pH 6.5, 50 mM ammonium sulfate, cryoprotectant: 25% ethylene glycol, crystal tracking ID 227386E9, VAPOR DIFFUSION, SITTING DROP, temperature 289K	分辨率 2.50 Å R-free 0.257
4E78 Crystal structure of a product state assembly of HCV NS5B genotype 2a JFH-1 isolate with beta hairpin loop deletion bound to primer-template RNA with 3'-dG 提交 2012-03-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–2885（443 aa）片段：SEE REMARK 999 链 A 2896–3012（117 aa）片段：SEE REMARK 999	突变：E86Q, E87Q, Delta8 replaced with GG 突变：E86Q, E87Q, Delta8 replaced with GG	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；289 K；4.37 mg/mL NS5B in 20 mM Tris, pH 8, 200 mM sodium chloride, 20% glycerol, 2 mM TCEP, 200 mM imidazole against 30% PEG3350, 0.1 M Bis-Tris propane, pH 6.0, 200 mM ammonium acetate soaked overnight in precipitant supplemented with 15% ethylene glycol as cryoprotectant and 0.2 mM UACCG(3'DG), crystal tracking ID 227386E9, VAPOR DIFFUSION, SITTING DROP, temperature 289K	分辨率 2.90 Å R-free 0.242
4E7A Crystal structure of a product state assembly of HCV NS5B genotype 2a JFH-1 isolate with beta hairpin deletion bound to primer-template RNA with a 2',3'-ddC 提交 2012-03-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–2885（443 aa）片段：SEE REMARK 999 链 A 2896–3012（117 aa）片段：SEE REMARK 999	突变：E86Q, E87Q, Delta8 replaced with GG 突变：E86Q, E87Q, Delta8 replaced with GG	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；289 K；4.37 mg/mL NS5B in 20 mM Tris, pH 8, 200 mM sodium chloride, 20% glycerol, 2 mM TCEP, 200 mM imidazole against 30% PEG3350, 0.1 M Bis-Tris propane, pH 6.0, 200 mM ammonium acetate soaked overnight in precipitant supplemented with 15% ethylene glycol as cryoprotectant and 0.2 mM CUAGGC(DOC), crystal tracking ID 228018H11, VAPOR DIFFUSION, SITTING DROP, temperature 289K	分辨率 3.00 Å R-free 0.241
4J1V Functional and structural studies of MOBKL1B, a Salvador/Warts/Hippo tumor suppressor pathway, in HCV replication 提交 2013-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 E 2284–2303（20 aa）链 G 2284–2303（20 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；279 K；0.1 M HEPES, 0.1 M KCl, 15% PEG5000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K	分辨率 1.95 Å R-free 0.225
4J1V Functional and structural studies of MOBKL1B, a Salvador/Warts/Hippo tumor suppressor pathway, in HCV replication 提交 2013-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 F 2284–2303（20 aa）链 H 2284–2303（20 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；279 K；0.1 M HEPES, 0.1 M KCl, 15% PEG5000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K	分辨率 1.95 Å R-free 0.225
4OBC Crystal structure of HCV polymerase NS5b genotype 2a JFH-1 isolate with the S15G, C223H, V321I resistance mutations against the guanosine analog GS-0938 (PSI-3529238) 提交 2014-01-07	突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2443–3012（570 aa）	突变：S15G E86Q E87Q C223H V321I	MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 2 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；NS5b VCID 5854 at 4.25 mg/mL in 5 mM Tris pH 7.5, 200 mM NH4OAc, 1 mM EDTA 1 mM DTT against PACT screen condition D5, 25% PEG 1500, 0.1M MMT Malic Acid, MES, Tris Buffer pH 8.0 supplemented with 20% glycerol as cryo-protectant, crystal tracking ID 223572d5, puck ID cps0237-1, VAPOR DIFFUSION, SITTING DROP, temperature 289K	分辨率 2.50 Å R-free 0.223
4WT9 APO CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH E86Q E87Q S15G C223H V321I AND DELTA8 MUTATIONS 提交 2014-10-29	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker	CL CHLORIDE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.9；289 K；NS5B AT 4.08 MG/ML IN 20 MM TRIS PH 8, 200 MM NACL, 20% GLYCEROL, 2 MM TCEP, 200 MM IMIDAZOLE AGAINST 30% PEG 550 MME, 0.1 M HEPES PH 7.5, 50 MM MAGNESIUM CHLORIDE WITH 15% ETHYLENE GLYCOL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 232769E7	分辨率 2.50 Å R-free 0.245
4WTA CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH UDP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU 提交 2014-10-29	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker	MN MANGANESE (II) ION × 3 CL CHLORIDE ION × 1 UDP URIDINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 6 MM MNCL2, 10 MM UDP, 2 MM 5'-CAAAAUUU WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 251148C3, UNIQUE PUCK ID DDL1-9	分辨率 2.80 Å R-free 0.224
4WTC CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH CDP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AGAAAUUU 提交 2014-10-29	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker	MN MANGANESE (II) ION × 3 CL CHLORIDE ION × 1 CDP CYTIDINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 6 MM MNCL2, 10 MM CDP, 4 MM 5'-AGAAAUUU WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 252991H7, UNIQUE PUCK ID YAT8-8	分辨率 2.75 Å R-free 0.229
4WTD CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH ADP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AUAAAUUU 提交 2014-10-29	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker	MN MANGANESE (II) ION × 3 ADP ADENOSINE-5'-DIPHOSPHATE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 6 MM MNCL2, 10 MM ADP, 4 MM 5'-AUAAAUUU WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 250962A8, UNIQUE PUCK ID ZMG4-5	分辨率 2.70 Å R-free 0.223
4WTE CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH GDP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-ACAAAUUU 提交 2014-10-29	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker	MN MANGANESE (II) ION × 3 CL CHLORIDE ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 6 MM MNCL2, 10 MM GDP, 4 MM 5'-ACAAAUUU WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 252991H5, UNIQUE PUCK ID YAT8-1	分辨率 2.90 Å R-free 0.219
4WTF CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH GS-639475, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU 提交 2014-10-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker	MN MANGANESE (II) ION × 3 CL CHLORIDE ION × 1 5GS 2'-C-methyluridine 5'-(trihydrogen diphosphate) × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 12 MM MNCL2, 20 MM GS-639475, 4 MM 5'-CAAAAUUU WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 251148A12, UNIQUE PUCK ID QXN0-1	分辨率 2.65 Å R-free 0.234
4WTI CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-ACGG, RNA PRIMER 5'-PCC, MN2+, AND GDP 提交 2014-10-30	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I	MN MANGANESE (II) ION × 3 CL CHLORIDE ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 4.7 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 6 MM MNCL2, 10 MM GDP, 2 MM 5'-ACGG, 2 MM 5'-PCC, WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 251148A1, UNIQUE PUCK ID HDW8-2	分辨率 2.80 Å R-free 0.234
4WTJ CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AUCC, RNA PRIMER 5'-PGG, MN2+, AND ADP 提交 2014-10-30	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I	MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 4.7 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 6 MM MNCL2, 10 MM CDP, 2 MM 5'-AGCC, 2 MM 5'-PGG, WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 251148A2, UNIQUE PUCK ID HDW8-4	分辨率 2.20 Å R-free 0.211
4WTK CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AGCC, RNA PRIMER 5'-PGG, MN2+, AND CDP 提交 2014-10-30	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I	MN MANGANESE (II) ION × 3 CL CHLORIDE ION × 1 CDP CYTIDINE-5'-DIPHOSPHATE × 1 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 4.7 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550	分辨率 2.50 Å R-free 0.224
4WTL CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-UACC, RNA PRIMER 5'-PGG, MN2+, AND UDP 提交 2014-10-30	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I	MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 1 UDP URIDINE-5'-DIPHOSPHATE × 1 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 4.7 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 25% PEG 3350, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRISPROPANE PH 6.0, 0.05 M TRIS PH 7.2, 0.6 MM MNCL2, 1.0 MM UDP,0.2 MM 5'-UACC, 0.2 MM 5'-PGG, WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 238700A1, UNIQUE PUCK ID HAF1-1	分辨率 2.00 Å R-free 0.235
4WTM CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-UAGG, RNA PRIMER 5'-PCC, MN2+, AND UDP 提交 2014-10-30	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–3012（570 aa）	突变：S2457G, E2528Q, E2529Q, C2665H, V2763I	MN MANGANESE (II) ION × 3 CL CHLORIDE ION × 1 UDP URIDINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；289 K；NS5B AT 4.7 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550 MME, 50 MM MGCL2, 0.1 M HEPES PH 7.5 FOR CRYSTAL GROWTH SOAKED INTO 28% PEG 550 MME, 0.2 M AMMONIUM ACETATE, 0.05 M BISTRIS PROPANE PH 6.0, 0.05 M TRIS PH 7.2, 12 MM MNCL2, 20 MM UDP, 4 MM 5'-UAGG, 4 MM 5'-PCC, WITH 8% GLYCEROL AS CRYO-PROTECTANT, CRYSTAL TRACKING ID 247392A4, UNIQUE PUCK ID NRC3-7	分辨率 2.15 Å R-free 0.216
5TWM CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide 提交 2016-11-14	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2443–3015（573 aa）片段：UNP residues 2443-3015	突变：L30S	7NG 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide × 1 SO4 SULFATE ION × 4 PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 PG4 TETRAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；100 mM Sodium Acetate, 25% (W/V) PEG 4000, 200 mM (NH4)2SO4	分辨率 1.97 Å R-free 0.207
9LJR Structural insights into the polymerase catalyzed FAD-capping of hepatitis C viral RNA 提交 2025-01-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：dimeric	链 A 2443–2995（553 aa）	突变：S15G/E86Q/E87Q/C223H/V321I	CDP CYTIDINE-5'-DIPHOSPHATE × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289.15 K；PEG 3350, 100 mM Bis-Tris propane/ hydrochloric acid, pH 8.5, 200 mM Sodium malonate dibasic precipitant.	分辨率 2.74 Å R-free 0.219
9LJS Structural insights into the polymerase catalyzed FAD-capping of hepatitis C viral RNA 提交 2025-01-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：dimeric	链 A 2443–2995（553 aa）	突变：S15G/E86Q/E87Q/C223H/V321I	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 CDP CYTIDINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289.15 K；PEG 3350, 100 mM Bis-Tris propane/hydrochloric acid, pH 8.5, 200 mM Sodium malonate dibasic precipitant	分辨率 2.96 Å R-free 0.223
9LJT Structural insights into the polymerase catalyzed FAD-capping of hepatitis C viral RNA 提交 2025-01-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：dimeric	链 A 2443–2995（553 aa）	突变：S15G/E86Q/E87Q/C223H/V321I	CDP CYTIDINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289.15 K；PEG 3350, 100 mM Bis-Tris propane/hydrochloric acid, pH 8.5, 200 mM Sodium malonate dibasic precipitant	分辨率 3.46 Å R-free 0.217
9LJU Structural insights into the polymerase catalyzed FAD-capping of hepatitis C viral RNA 提交 2025-01-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：dimeric	链 A 2443–2995（553 aa）	突变：S15G/E86Q/E87Q/C223H/V321I	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289.15 K；PEG 3350, 100 mM Bis-Tris propane/hydrochloric acid, pH 8.5, 200 mM Sodium malonate dibasic precipitant	分辨率 2.92 Å R-free 0.216
9LJV Structural insights into the polymerase catalyzed FAD-capping of hepatitis C viral RNA 提交 2025-01-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：dimeric	链 A 2443–2995（553 aa）	突变：S15G/E86Q/E87Q/C223H/V321I	C5P CYTIDINE-5'-MONOPHOSPHATE × 1 MN MANGANESE (II) ION × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289.15 K；PEG 3350, 100 mM Bis-Tris propane/hydrochloric acid, pH 8.5, 200 mM Sodium malonate dibasic precipitant	分辨率 2.25 Å R-free 0.218
9LJW Structural insights into the polymerase catalyzed FAD-capping of hepatitis C viral RNA 提交 2025-01-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白–RNA 单体；蛋白 × 1 PDB 声明：trimeric	链 A 2443–2993（551 aa）	突变：S15G/E86Q/E87Q/C223H/V321I	GDP GUANOSINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289.15 K；PEG 3350, 100 mM Bis-Tris propane/hydrochloric acid, pH 8.5, 200 mM Sodium malonate dibasic precipitant	分辨率 3.13 Å R-free 0.234

共 31 个其他 PDB 条目、36 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	POLG_HCVJF
Isoform	—
PDB实体	2
链与序列区间	作者链 A； PDB构建体 3–564； UniProt 2443–3012

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	4wtg
沉积日期 deposition_date	2014-10-30
结构标题 title	CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH SOFOSBUVIR DIPHOSPHATE GS-607596, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU
关键词 keywords	;HCV, VIRAL, NS5B, RDRP, RESISTANCE MUTATION, TEMPLATE, PRIMER, PRIMED INITIATION, DELTA8 BETA HAIRPIN LOOP DELETION, Transferase-RNA complex ;; Transferase/RNA
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	24.68 Å
回转半径 Rg (电子) rg_electron	24.18 Å
零角强度 I(0) i0	71669800.00
分子量 molecular_weight	62453.0 kDa
排除体积 excluded_volume	76488 Å³
包络体积 envelope_volume	90379 Å³
水化壳体积 shell_volume	30565 Å³
包络直径 envelope_diameter	80.0 Å
壳层 Rg shell_rg	31.97 Å
包络 Rg envelope_rg	24.11 Å
形状 Rg shape_rg	24.20 Å
总 Rg total_rg	24.87 Å
总原子数 total_atoms	4357
残基数 n_residues	549
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	74.6 Å
Rg (实空间) rg_real	24.71 Å
Rg 误差 (实空间) rg_real_error	0.12 Å
I(0) (实空间) i0_real	6.9670e+07
I(0) 误差 (实空间) i0_real_error	6.6680e+05
Rg (倒空间) rg_reciprocal	24.59 Å
I(0) (倒空间) i0_reciprocal	71670000.0000
解质量估计 total_estimate	0.7183
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	28.4 Å
偏度 Skewness skewness	0.253
峰度 Kurtosis kurtosis	-0.452
角度范围 angular_range	— – 0.3200 Å⁻¹
当前正则化参数 α current_alpha	7.4490
最高正则化参数 α highest_alpha	17200000.0000
实空间数据点数 n_real_points	64
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.955; Stabil: 0.923; Sysdev: 0.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.727

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

描述 description	RNA PRIMER TEMPLATE CAAAAUUU
分子量 formula_weight	2495.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polyribonucleotide
链编号 strand_id	T,P
原子数 atom_count	4416

CAAAAUUU

实体 2 Entity 2 polymer

描述 description	RNA-directed RNA polymerase
分子量 formula_weight	63755.2 kDa
EC 编号 ec_number	2.7.7.48
突变 mutation	S2457G, E2528Q, E2529Q, C2665H, V2763I, UNP residues 2886-2895 NFEMYGSVYS deleted and replaced by GG linker
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A

MSSMSYSWTGALITPCGPEEEKLPINPLSNSLLRYHNKVYCTTSKSASQRAKKVTFDRTQVLDAHYDSVLKDIKLAASKVSARLLTLQQACQLTPPHSARSKYGFGAKEVRSLSGRAVNHIKSVWKDLLEDPQTPIPTTIMAKNEVFCVDPAKGGKKPARLIVYPDLGVRVCEKMALYDITQKLPQAVMGASYGFQYSPAQRVEYLLKAWAEKKDPMGFSYDTRHFDSTVTERDIRTEESIYQACSLPEEARTAIHSLTERLYVGGPMFNSKGQTCGYRRCRASGVLTTSMGNTITCYVKALAACKAAGIVAPTMLVCGDDLIVISESQGTEEDERNLRAFTEAMTRYSAPPGDPPRPEYDLELITSCSSNVSVALGPRGRRRYYLTRDPTTPLARAAWETVRHSPINSWLGNIIQYAPTIWVRMVLMTHFFSILMVQDTLDQNLGGVNPLDLPAIIERLHGLDAFSMHTYSHHELTRVASALRKLGAPPLRVWKSRARAVRASLISRGGKAAVCGRYLFNWAVKTKLKLTPLPEARLLDLSSWFTVGAGGGDIFHSVSRARPRLEHHHHHH

来源 Source

来源生物 organism	Hepatitis C virus JFH-1
NCBI 分类编号 ncbi_taxonomy_id	356411
宿主生物 host_organism	Escherichia coli BL21(DE3)

实体 3 Entity 3 non-polymer

描述 description	MANGANESE (II) ION
分子量 formula_weight	54.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	3

实体 4 Entity 4 non-polymer

描述 description	;2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) ;
分子量 formula_weight	420.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 non-polymer

描述 description	CHLORIDE ION
分子量 formula_weight	35.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 6 Entity 6 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	59

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8. 引用文献 (1)

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晶胞边长 a length_a	140.440 Å
晶胞边长 b length_b	140.440 Å
晶胞边长 c length_c	91.620 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 65
空间群编号 int_tables_number	170
晶系 crystal_system	—

分辨率 resolution	2.900 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.1810
R_work r_work	0.1790
R_free r_free	0.2320

fit	/app/data/saxs_computation/wt/4wtg/4wtg.fit
pddf	/app/data/pr_computation/wt/4wtg/4wtg.pr.out
profile	/app/data/saxs_computation/wt/4wtg/4wtg.dat

CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH SOFOSBUVIR DIPHOSPHATE GS-607596, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU

1. 蛋白身份与相关结构 Protein Identity & Related Structures

RNA-directed RNA polymerase

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

5. 晶体学与实验 5. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

聚合物 Polymer

实体 2 Entity 2 polymer

聚合物 Polymer

来源 Source

实体 3 Entity 3 non-polymer

实体 4 Entity 4 non-polymer

实体 5 Entity 5 non-polymer

实体 6 Entity 6 water

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)