4mx3

Crystal Structure of PKA RIalpha Homodimer

Method: X-RAY DIFFRACTION D_max: 98.4 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	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 2–380 链 B； UniProt 2–380	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
2	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 2–380	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
3	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 B； UniProt 2–380	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

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 4MX3	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
4JV4 Crystal Structure of RIalpha(91-379) bound to HE33, a N6 di-propyl substituted cAMP analog 提交 2013-03-25	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 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 92–379（288 aa）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
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	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	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	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	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	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	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	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	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	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、44 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 1–379； UniProt 2–380 作者链 B； PDB构建体 1–379； UniProt 2–380

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	4mx3
沉积日期 deposition_date	2013-09-25
结构标题 title	Crystal Structure of PKA RIalpha Homodimer
关键词 keywords	PKA, RIalpha Homodimer, Cooperative cAMP Binding, Carney Complex Disease, SIGNALING PROTEIN; SIGNALING PROTEIN
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	32.54 Å
回转半径 Rg (电子) rg_electron	31.77 Å
零角强度 I(0) i0	58430200.00
分子量 molecular_weight	59835.0 kDa
排除体积 excluded_volume	74606 Å³
包络体积 envelope_volume	103650 Å³
水化壳体积 shell_volume	27448 Å³
包络直径 envelope_diameter	99.4 Å
壳层 Rg shell_rg	38.65 Å
包络 Rg envelope_rg	30.88 Å
形状 Rg shape_rg	31.79 Å
总 Rg total_rg	32.35 Å
总原子数 total_atoms	4217
残基数 n_residues	541
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	98.4 Å
Rg (实空间) rg_real	32.56 Å
Rg 误差 (实空间) rg_real_error	0.88 Å
I(0) (实空间) i0_real	5.8430e+07
I(0) 误差 (实空间) i0_real_error	1.0040e+06
Rg (倒空间) rg_reciprocal	32.56 Å
I(0) (倒空间) i0_reciprocal	58430000.0000
解质量估计 total_estimate	0.8729
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	24.1 Å
偏度 Skewness skewness	0.138
峰度 Kurtosis kurtosis	-0.944
角度范围 angular_range	— – 0.2450 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	12130000.0000
实空间数据点数 n_real_points	50
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.900; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.872; Smooth: 0.784

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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	42816.4 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	4217

ASGTTASEEERSLRECELYVQKHNIQALLKDSIVQLCTARPERPMAFLREYFEKLEKEEAKQIQNLQKAGSRADSREDEISPPPPNPVVKGRRRRGAISAEVYTEEDAASYVRKVIPKDYKTMAALAKAIEKNVLFSHLDDNERSDIFDAMFPVSFIAGETVIQQGDEGDNFYVIDQGEMDVYVNNEWATSVGEGGSFGELALIYGTPRAATVKAKTNVKLWGIDRDSYRRILMGSTLRKRKMYEEFLSKVSILESLDKWERLTVADALEPVQFEDGQKIVVQGEPGDEFFIILEGSAAVLQRRSENEEFVEVGRLGPSDYFGEIALLMNRPRAATVVARGPLKCVKLDRPRFERVLGPCSDILKRNIQQYNSFVSLSV

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	ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
分子量 formula_weight	329.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

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7. 折叠分类 (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

结构域编号 domain_id	4mx3A01
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	4mx3A02
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	4mx3B01
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	4mx3B02
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	104.672 Å
晶胞边长 b length_b	104.672 Å
晶胞边长 c length_c	218.327 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	16

空间群 space_group	P 41 21 2
空间群编号 int_tables_number	92
晶系 crystal_system	—

分辨率 resolution	3.880 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.2608
R_work r_work	0.2595
R_free r_free	0.2867

fit	/app/data/saxs_computation/mx/4mx3/4mx3.fit
pddf	/app/data/pr_computation/mx/4mx3/4mx3.pr.out
profile	/app/data/saxs_computation/mx/4mx3/4mx3.dat