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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

Method: X-RAY DIFFRACTION D_max: 74.3 Å Quality: EXCELLENT

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

NS5B RNA-dependent RNA POLYMERASE

Hepatitis C virus genotype 2a (isolate 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	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 2443–3015	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

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 5TWM	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：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	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	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	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：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	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：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	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：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	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：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	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：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
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 提交 2014-10-30	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：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 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
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	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：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	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：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	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：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	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：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	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：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
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：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	1
链与序列区间	作者链 A； PDB构建体 2–574； UniProt 2443–3015

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	5twm
沉积日期 deposition_date	2016-11-14
结构标题 title	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
关键词 keywords	;RDRP STRUCTURE (FINGERS, PALM, THUMB DOMAINS), ACETYLATION, APOPTOSIS, ATP-BINDING, CAPSID PROTEIN, CELL MEMBRANE, CYTOPLASM, DISULFIDE BOND, ENDOPLASMIC RETICULUM, ENVELOPE PROTEIN, FUSION PROTEIN, GLYCOPROTEIN, HELICASE, HOST-VIRUS INTERACTION, HYDROLASE, INTERFERON ANTIVIRAL SYSTEM EVASION, LIPID DROPLET, LIPOPROTEIN, MEMBRANE, METAL-BINDING, MITOCHONDRION, MULTIFUNCTIONAL ENZYME, NUCLEOTIDE-BINDING, NUCLEOTIDYLTRANSFERASE, NUCLEUS, ONCOGENE, PALMITATE, PHOSPHOPROTEIN, PROTEASE, RIBONUCLEOPROTEIN, RNA REPLICATION, RNA-BINDING, RNA-DIRECTED RNA POLYMERASE, SECRETED, SERINE PROTEASE, SH3-BINDING, THIOL PROTEASE, TRANSCRIPTION, TRANSCRIPTION REGULATION, TRANSFERASE, TRANSMEMBRANE, UBL CONJUGATION, VIRAL NUCLEOPROTEIN, VIRION, ZINC, TRANSFERASE-TRANSFERASE inhibitor complex ;; TRANSFERASE/TRANSFERASE inhibitor
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	24.98 Å
回转半径 Rg (电子) rg_electron	23.97 Å
零角强度 I(0) i0	66040000.00
分子量 molecular_weight	63184.0 kDa
排除体积 excluded_volume	79047 Å³
包络体积 envelope_volume	93354 Å³
水化壳体积 shell_volume	31545 Å³
包络直径 envelope_diameter	78.3 Å
壳层 Rg shell_rg	31.94 Å
包络 Rg envelope_rg	24.02 Å
形状 Rg shape_rg	23.95 Å
总 Rg total_rg	24.90 Å
总原子数 total_atoms	4460
残基数 n_residues	559
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	74.3 Å
Rg (实空间) rg_real	24.79 Å
Rg 误差 (实空间) rg_real_error	0.34 Å
I(0) (实空间) i0_real	6.6040e+07
I(0) 误差 (实空间) i0_real_error	9.2350e+05
Rg (倒空间) rg_reciprocal	24.84 Å
I(0) (倒空间) i0_reciprocal	66040000.0000
解质量估计 total_estimate	0.9138
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	30.7 Å
偏度 Skewness skewness	0.123
峰度 Kurtosis kurtosis	-0.553
角度范围 angular_range	— – 0.3200 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	13190000.0000
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: 0.963; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.996

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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	NS5B RNA-dependent RNA POLYMERASE
分子量 formula_weight	63931.4 kDa
EC 编号 ec_number	2.7.7.48
突变 mutation	L30S
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
原子数 atom_count	4843

MSMSYSWTGALITPCSPEEEKLPINPLSNSSLRYHNKVYCTTSKSASQRAKKVTFDRTQVLDAHYDSVLKDIKLAASKVSARLLTLEEACQLTPPHSARSKYGFGAKEVRSLSGRAVNHIKSVWKDLLEDPQTPIPTTIMAKNEVFCVDPAKGGKKPARLIVYPDLGVRVCEKMALYDITQKLPQAVMGASYGFQYSPAQRVEYLLKAWAEKKDPMGFSYDTRCFDSTVTERDIRTEESIYQACSLPEEARTAIHSLTERLYVGGPMFNSKGQTCGYRRCRASGVLTTSMGNTITCYVKALAACKAAGIVAPTMLVCGDDLVVISESQGTEEDERNLRAFTEAMTRYSAPPGDPPRPEYDLELITSCSSNVSVALGPRGRRRYYLTRDPTTPLARAAWETVRHSPINSWLGNIIQYAPTIWVRMVLMTHFFSILMVQDTLDQNLNFEMYGSVYSVNPLDLPAIIERLHGLDAFSMHTYSHHELTRVASALRKLGAPPLRVWKSRARAVRASLISRGGKAAVCGRYLFNWAVKTKLKLTPLPEARLLDLSSWFTVGAGGGDIFHSVSRARPRSLL

来源 Source

来源生物 organism	Hepatitis C virus genotype 2a (isolate JFH-1)
通用名 common_name	HCV
NCBI 分类编号 ncbi_taxonomy_id	356411
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
分子量 formula_weight	488.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 4 Entity 4 non-polymer

描述 description	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL
分子量 formula_weight	398.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 non-polymer

描述 description	TETRAETHYLENE GLYCOL
分子量 formula_weight	194.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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	383

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7. 折叠分类 (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d5twma_
类 Class class	e — Multi-domain proteins (alpha and beta)
折叠类型 Fold fold	e.8 — DNA/RNA polymerases
超家族 Superfamily superfamily	e.8.1 — DNA/RNA polymerases
家族 Family family	e.8.1.4 — RNA-dependent RNA-polymerase

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8. 引用文献 (1)

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晶胞边长 a length_a	64.687 Å
晶胞边长 b length_b	89.816 Å
晶胞边长 c length_c	216.745 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	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	C 2 2 21
空间群编号 int_tables_number	20
晶系 crystal_system	—

分辨率 resolution	1.970 Å
最低分辨率 resolution_low	42.470 Å
R 因子 r_factor	0.1710
R_work r_work	0.1690
R_free r_free	0.2070

fit	/app/data/saxs_computation/tw/5twm/5twm.fit
pddf	/app/data/pr_computation/tw/5twm/5twm.pr.out
profile	/app/data/saxs_computation/tw/5twm/5twm.dat