4jv4

Crystal Structure of RIalpha(91-379) bound to HE33, a N6 di-propyl substituted cAMP analog

Method: X-RAY DIFFRACTION D_max: 68.3 Å Quality: GOOD

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

cAMP-dependent protein kinase type I-alpha regulatory subunit

Bos taurus

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 92–379	片段：RIalpha (93-380) 突变：deletion mutant	1OR (2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide × 2	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；6.3% PEG 3350, 0.074 M sodium malonate (pH 7.0) after 3 weeks of growth, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 2.95 Å R-free 0.286

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 4JV4	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
1NE4 Crystal Structure of Rp-cAMP Binding R1a Subunit of cAMP-dependent Protein Kinase 提交 2002-12-10	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 94–376（283 aa）片段：1-91 deletion mutant	未记录	RP1 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；295.5 K；amino sulfate, glycerol, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K	分辨率 2.40 Å R-free 0.253
1NE6 Crystal structure of Sp-cAMP binding R1a subunit of cAMP-dependent protein kinase 提交 2002-12-10	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 94–376（283 aa）片段：1-91 deletion mutant	未记录	SP1 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；295.5 K；amino sulfate, glycerol, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K	分辨率 2.30 Å R-free 0.241
1RGS REGULATORY SUBUNIT OF CAMP DEPENDENT PROTEIN KINASE 提交 1995-06-21	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 92–379（288 aa）片段：REGULATORY SUBUNIT	突变：DEL(1-91)	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å
1RL3 Crystal structure of cAMP-free R1a subunit of PKA 提交 2003-11-24	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 92–379（288 aa）	未记录	PCG CYCLIC GUANOSINE MONOPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；295.5 K；NH4SO4, glycerol, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K	分辨率 2.70 Å R-free 0.285
1RL3 Crystal structure of cAMP-free R1a subunit of PKA 提交 2003-11-24	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 92–379（288 aa）	未记录	PCG CYCLIC GUANOSINE MONOPHOSPHATE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；295.5 K；NH4SO4, glycerol, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K	分辨率 2.70 Å R-free 0.285
2EZW Solution structure of the docking and dimerization domain of the type I alpha regulatory subunit of protein kinase A (RIalpha D/D) 提交 2005-11-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法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 12–61（50 aa）片段：dimerization-anchoring domain (residues 12-61) 链 B 12–61（50 aa）片段：dimerization-anchoring domain (residues 12-61)	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 4；310 K；离子强度（mmCIF原始值）50mM sodium acetate, 150mM sodium chloride；压力 1 NMR样品组成 R1a(12-61) at 1.2-1.6 mM dimer, 50mM sodium acetate, 150mM sodium chloride, pH 4.0, 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR样品组成 15N-enriched R1a(12-61), 5% H2O, 95% D2O \| 5% H2O, 95% D2O NMR样品组成 15N-enriched R1a(12-61), 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR样品组成 13C/15N-enriched R1a(12-61), 5% H2O, 95% D2O \| 5% H2O, 95% D2O NMR样品组成 asymmetrically enriched 13C/15N-12C/14N R1a(12-61), 5% H2O,95% D2O \| 5% H2O,95% D2O	分辨率未提供
2QCS A complex structure between the Catalytic and Regulatory subunit of Protein Kinase A that represents the inhibited state 提交 2007-06-19	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 × 2 PDB 声明：dimeric	链 B 91–380（290 aa）片段：REGULATORY SUBUNIT	突变：R333K	MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 6 ACT ACETATE ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；2.0M(NH4)2SO4, 0.1M Citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 2.20 Å R-free 0.225
3FHI Crystal structure of a complex between the catalytic and regulatory (RI{alpha}) subunits of PKA 提交 2008-12-09	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 × 2 PDB 声明：dimeric	链 B 92–245（154 aa）片段：UNP residues 92-245	未记录	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20 % PEG 2000, 0.1 M Tris-HCl, 4 % 1,3-Propanediol, 2.0 mM Cyclohexyl-pentyl-D-maltoside, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.226
3IIA Crystal structure of apo (91-244) RIa subunit of cAMP-dependent protein kinase 提交 2009-07-31	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 92–245（154 aa）片段：The RIa subunit: UNP residues 92-245	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 2.70 Å R-free 0.285
3IM3 Crystal structure of PKA RI alpha dimerization/docking domain 提交 2009-08-09	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 13–62（50 aa）片段：Dimerization and docking domain: UNP residues 13-62	未记录	FMT FORMIC ACID × 4	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 9；298 K；30% PEG 3350, 0.2 mM Sodium formate, 0.1 M Bis-Tris propane pH 9.0, MICROBATCH, temperature 298K	分辨率 2.00 Å R-free 0.249
3IM4 Crystal structure of cAMP-dependent Protein Kinase A Regulatory Subunit I alpha in complex with dual-specific A-Kinase Anchoring Protein 2 提交 2009-08-09	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 A 13–62（50 aa）片段：Dimerization and docking domain: UNP residues 13-62 链 B 13–62（50 aa）片段：Dimerization and docking domain: UNP residues 13-62	未记录	ZN ZINC ION × 5	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 5.5；298 K；10% PEG 6000, 0.01 M ZnCl2, 0.1 M MES, pH 5.5, MICROBATCH, temperature 298K	分辨率 2.29 Å R-free 0.254
3PLQ Crystal structure of PKA type I regulatory subunit bound with Rp-8-Br-cAMPS 提交 2010-11-15	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 92–245（154 aa）片段：residues 91-244	未记录	RP2 (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；pH 6.5；298 K；pH 6.5, hanging drop, temperature 298K	分辨率 2.30 Å R-free 0.328
3PNA Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase 提交 2010-11-18	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 92–245（154 aa）片段：N-terminal cAMP binding domain (UNP residues 92-245)	未记录	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.1 M sodium acetate trihydrate, 2.0 M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.50 Å R-free 0.182
3PNA Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase 提交 2010-11-18	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 92–245（154 aa）片段：N-terminal cAMP binding domain (UNP residues 92-245)	未记录	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.1 M sodium acetate trihydrate, 2.0 M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.50 Å R-free 0.182
3PNA Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase 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 3 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 92–245（154 aa）片段：N-terminal cAMP binding domain (UNP residues 92-245) 链 B 92–245（154 aa）片段：N-terminal cAMP binding domain (UNP residues 92-245)	未记录	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 4 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.1 M sodium acetate trihydrate, 2.0 M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.50 Å R-free 0.182
3PVB Crystal structure of (73-244)RIa:C holoenzyme of cAMP-dependent Protein kinase 提交 2010-12-06	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 × 2 PDB 声明：dimeric	链 B 85–244（160 aa）片段：unp residues 85-244	未记录	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MN MANGANESE (II) ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；The RIa(73-244):C complex was crystallized in 0.1M MES pH 6.0 and 12% PEG 20,000 by using a Douglas Instruments Oryx8 crystallography robot as 1:1 protein solution:crystallizing solution, VAPOR DIFFUSION, SITTING DROP, temperature 298.0 K	分辨率 3.30 Å R-free 0.290
4MX3 Crystal Structure of PKA RIalpha Homodimer 提交 2013-09-25	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 2–380（379 aa）链 B 2–380（379 aa）	未记录	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.125 M sodium acetate (pH 5), 2M sodium formate with the protein at a final concentration of 4 mg/ml grown in a 2 ul drop, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 3.88 Å R-free 0.287
4MX3 Crystal Structure of PKA RIalpha Homodimer 提交 2013-09-25	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 A 2–380（379 aa）	未记录	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.125 M sodium acetate (pH 5), 2M sodium formate with the protein at a final concentration of 4 mg/ml grown in a 2 ul drop, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 3.88 Å R-free 0.287
4MX3 Crystal Structure of PKA RIalpha Homodimer 提交 2013-09-25	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 B 2–380（379 aa）	未记录	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.125 M sodium acetate (pH 5), 2M sodium formate with the protein at a final concentration of 4 mg/ml grown in a 2 ul drop, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 3.88 Å R-free 0.287
4X6R An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes 提交 2014-12-09	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 × 2 PDB 声明：dimeric	链 B 91–380（290 aa）	突变：R333K	SO4 SULFATE ION × 6 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 1 GOL GLYCEROL × 2 MYR MYRISTIC ACID × 1 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；298 K；Crystallization of RIb(91-379,R333K): myrC(K7C) heterodimer :RC heterodimer that was concentrated to 14 mg/mL and screened against different ammonium sulfate concentrations ranging from 0.8-2.5 M in 0.1 M sodium citrate buffer and also varying the pH from 5.0-6.0 using the hanging drop vapor diffusion method. The crystal used for structure determination was obtained from a 4 uL drop containing 1:1 protein to well solution with the well solution containing 1.6 M ammonium sulfate and 0.1 M sodium citrate at pH 5.5	分辨率 2.40 Å R-free 0.234
5HVZ Crystal structure of smAKAP AKB domain bound RIa dimerization/docking (D/D) complex at 2.0 A resolution 提交 2016-01-28	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 A 13–62（50 aa）链 B 13–62（50 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 3.5；297 K；a 2:3 ratio of protein solution:crystallizing (crystallizing solution: 0.1 M Citric acid pH 3.5, 28% w/v Polyethylene glycol 8,000)	分辨率 2.00 Å R-free 0.241
5JR7 Crystal structure of an ACRDYS heterodimer [RIa(92-365):C] of PKA 提交 2016-05-05	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 92–366（275 aa）片段：UNP residues 92-366	未记录	ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；0.2 M Sodium thiocyanate and 20% PEG 3350 with the protein at a final concentration of 5 mg/ml in a 1.6 ul drop	分辨率 3.56 Å R-free 0.322
5JR7 Crystal structure of an ACRDYS heterodimer [RIa(92-365):C] of PKA 提交 2016-05-05	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 92–366（275 aa）片段：UNP residues 92-366	未记录	ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；0.2 M Sodium thiocyanate and 20% PEG 3350 with the protein at a final concentration of 5 mg/ml in a 1.6 ul drop	分辨率 3.56 Å R-free 0.322
6BYR Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha 提交 2017-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 B 2–380（379 aa）链 D 2–380（379 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM NaCl, 16-18% pentaerythritol propoxylate and 10% dimethyl sulfoxide	分辨率 3.66 Å R-free 0.249
6BYR Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha 提交 2017-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 信息不足异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 2–380（379 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM NaCl, 16-18% pentaerythritol propoxylate and 10% dimethyl sulfoxide	分辨率 3.66 Å R-free 0.249
6BYR Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha 提交 2017-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 信息不足异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 2–380（379 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM NaCl, 16-18% pentaerythritol propoxylate and 10% dimethyl sulfoxide	分辨率 3.66 Å R-free 0.249
6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha 提交 2017-12-21	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 × 4 PDB 声明：tetrameric	链 B 2–380（379 aa）链 H 2–380（379 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate	分辨率 4.75 Å R-free 0.255
6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha 提交 2017-12-21	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 × 4 PDB 声明：tetrameric	链 D 2–380（379 aa）链 F 2–380（379 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate	分辨率 4.75 Å R-free 0.255
6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha 提交 2017-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 2–380（379 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate	分辨率 4.75 Å R-free 0.255
6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha 提交 2017-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 2–380（379 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate	分辨率 4.75 Å R-free 0.255
6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha 提交 2017-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 2–380（379 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate	分辨率 4.75 Å R-free 0.255
6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha 提交 2017-12-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 H 2–380（379 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate	分辨率 4.75 Å R-free 0.255
6NO7 Crystal Structure of the full-length wild-type PKA RIa Holoenzyme 提交 2019-01-15	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 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 B 1–380（380 aa）链 D 1–380（380 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；mixing 1 ul of the protein solution (7.5 mg/ml) and 1 ul of the reservoir solution (100 mM imidazole/MES pH=7.0, 100 mM NPS, 16.8% v/v Ethylene glycol, 8.4 % w/v PEG 8000).	分辨率 3.55 Å R-free 0.269
6NO7 Crystal Structure of the full-length wild-type PKA RIa Holoenzyme 提交 2019-01-15	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 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 F 1–380（380 aa）链 H 1–380（380 aa）	未记录	MG MAGNESIUM ION × 4 ATP ADENOSINE-5'-TRIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；mixing 1 ul of the protein solution (7.5 mg/ml) and 1 ul of the reservoir solution (100 mM imidazole/MES pH=7.0, 100 mM NPS, 16.8% v/v Ethylene glycol, 8.4 % w/v PEG 8000).	分辨率 3.55 Å R-free 0.269
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 7 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 G 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
7LZ4 Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation 提交 2021-03-08	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 8 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 H 109–377（269 aa）	突变：A211D	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；295.5 K；The protein was concentrated to 8 mg/mL, and crystallized in 2 uL hanging drops using the vapor diffusion method with 75 mM Sodium Acetate (pH 5.0), 2.0 M sodium formate, and four-fold molar excess cAMP at room temperature	分辨率 4.16 Å R-free 0.270
9EDC Reset Type-I Protein Kinase A Holoenzyme 提交 2024-11-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法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 × 2 PDB 声明：dimeric	链 B 1–380（380 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.18 Å
9EDD Reset Type-I Protein Kinase A Holoenzyme 提交 2024-11-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法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 × 2 PDB 声明：dimeric	链 B 1–380（380 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 6.30 Å
9EDE Reset Type-I Protein Kinase A Holoenzyme 提交 2024-11-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法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 × 2 PDB 声明：dimeric	链 B 1–380（380 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 5.90 Å
9FQR 96-nm repeat of axonemal doublet microtubules from bovine sperm 提交 2024-06-21	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 蛋白异源复合物异源复合物；蛋白 × 1574 PDB 声明：1574-meric	链 Xk 1–380（380 aa）	未记录	GTP GUANOSINE-5'-TRIPHOSPHATE × 342 MG MAGNESIUM ION × 345 GDP GUANOSINE-5'-DIPHOSPHATE × 345	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.9 cryo-EM玻璃化条件冷冻剂 ETHANE-PROPANE	分辨率 5.00 Å

共 25 个其他 PDB 条目、46 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	KAP0_BOVIN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–285； UniProt 92–379

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	4jv4
沉积日期 deposition_date	2013-03-25
结构标题 title	Crystal Structure of RIalpha(91-379) bound to HE33, a N6 di-propyl substituted cAMP analog
关键词 keywords	;cAMP-dependent protein kinase, cyclic nucleotide analogs, isoform selectivity, fluorescence anisotropy, 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	20.87 Å
回转半径 Rg (电子) rg_electron	19.99 Å
零角强度 I(0) i0	14913700.00
分子量 molecular_weight	28667.0 kDa
排除体积 excluded_volume	35688 Å³
包络体积 envelope_volume	42858 Å³
水化壳体积 shell_volume	18578 Å³
包络直径 envelope_diameter	70.7 Å
壳层 Rg shell_rg	25.67 Å
包络 Rg envelope_rg	20.17 Å
形状 Rg shape_rg	20.00 Å
总 Rg total_rg	20.78 Å
总原子数 total_atoms	2021
残基数 n_residues	261
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	68.3 Å
Rg (实空间) rg_real	20.85 Å
Rg 误差 (实空间) rg_real_error	0.57 Å
I(0) (实空间) i0_real	1.4910e+07
I(0) 误差 (实空间) i0_real_error	1.9500e+05
Rg (倒空间) rg_reciprocal	20.85 Å
I(0) (倒空间) i0_reciprocal	14910000.0000
解质量估计 total_estimate	0.8112
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	23.8 Å
偏度 Skewness skewness	0.320
峰度 Kurtosis kurtosis	-0.388
角度范围 angular_range	— – 0.3800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	2529000.0000
实空间数据点数 n_real_points	70
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.851; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.000

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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 (2)

实体 1 Entity 1 polymer

描述 description	cAMP-dependent protein kinase type I-alpha regulatory subunit
分子量 formula_weight	32493.9 kDa
突变 mutation	deletion mutant
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	2021

RRRRGAISAEVYTEEDAASYVRKVIPKDYKTMAALAKAIEKNVLFSHLDDNERSDIFDAMFPVSFIAGETVIQQGDEGDNFYVIDQGEMDVYVNNEWATSVGEGGSFGELALIYGTPRAATVKAKTNVKLWGIDRDSYRRILMGSTLRKRKMYEEFLSKVSILESLDKWERLTVADALEPVQFEDGQKIVVQGEPGDEFFIILEGSAAVLQRRSENEEFVEVGRLGPSDYFGEIALLMNRPRAATVVARGPLKCVKLDRPRFERVLGPCSDILKRNIQQYNSFVSLSV

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	bovine,cow,domestic cattle,domestic cow
NCBI 分类编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	(2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
分子量 formula_weight	413.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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7. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d4jv4a1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.82 — Double-stranded beta-helix
超家族 Superfamily superfamily	b.82.3 — cAMP-binding domain-like
家族 Family family	b.82.3.2 — cAMP-binding domain

结构域编号 domain_id	d4jv4a2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.82 — Double-stranded beta-helix
超家族 Superfamily superfamily	b.82.3 — cAMP-binding domain-like
家族 Family family	b.82.3.2 — cAMP-binding domain

CATH v4.4 (2 domains)

结构域编号 domain_id	4jv4A01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	120 — Jelly Rolls
同源超家族 H-superfamily homologous superfamily	10 — Jelly Rolls

结构域编号 domain_id	4jv4A02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	120 — Jelly Rolls
同源超家族 H-superfamily homologous superfamily	10 — Jelly Rolls

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8. 引用文献 (1)

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晶胞边长 a length_a	89.830 Å
晶胞边长 b length_b	89.830 Å
晶胞边长 c length_c	185.055 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 2 2
空间群编号 int_tables_number	179
晶系 crystal_system	—

分辨率 resolution	2.952 Å
最低分辨率 resolution_low	44.915 Å
R 因子 r_factor	0.2215
R_work r_work	0.2184
R_free r_free	0.2856

fit	/app/data/saxs_computation/jv/4jv4/4jv4.fit
pddf	/app/data/pr_computation/jv/4jv4/4jv4.pr.out
profile	/app/data/saxs_computation/jv/4jv4/4jv4.dat