SAXSdb — 5dqf

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

Serum albumin

物种未注明

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 28–607	突变：R561A	PG4 TETRAETHYLENE GLYCOL × 7 SO4 SULFATE ION × 4 LCR (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid × 1 CZE (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid × 1 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；1 ul of 30 mg/mL protein in 10 mM Tris pH 7.5, 150 mM NaCl was mixed with 1ul of the well condition: 100 mM Tris pH 7.5, 1800 mM (NH4)2SO4, 87.5 mM NaBr, 2.5% w/v PEG 8K	分辨率 2.15 Å R-free 0.241

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 5DQF	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
3V08 Crystal structure of Equine Serum Albumin 提交 2011-12-07	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 25–607（583 aa）	未记录	BR BROMIDE ION × 11 SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 1 UNX UNKNOWN LIGAND × 12 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；1.9 M NH4 sulfate, 2.5% PEG8000, 0.1 M NaBr, 0.1 M Tris HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 2.45 Å R-free 0.245
4F5T Crystal Structure of Equine Serum Albumin 提交 2012-05-13	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 25–607（583 aa）片段：UNP residues 25-607	未记录	ACT ACETATE ION × 6 SO4 SULFATE ION × 4 GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.7 M ammonium sulfate, 0.1M acetate buffer pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.32 Å R-free 0.259
4F5U Crystal structure of Equine Serum Albumin at 2.04 resolution 提交 2012-05-13	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 25–607（583 aa）片段：UNP residues 25-607	未记录	MLI MALONATE ION × 6 SIN SUCCINIC ACID × 1 LMR (2S)-2-hydroxybutanedioic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；80% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.04 Å R-free 0.243
4J2V Crystal Structure of Equine Serum Albumin in complex with 3,5-diiodosalicylic acid 提交 2013-02-05	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 25–607（583 aa）片段：UNP residues 25-607	未记录	DIU 2-HYDROXY-3,5-DIIODO-BENZOIC ACID × 4 MLI MALONATE ION × 7 FMT FORMIC ACID × 8 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；85% Tacsimate, cocrystallization with 3,5-diiodosalicylic acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.12 Å R-free 0.238
4OT2 Crystal Structure of Equine Serum Albumin in complex with Naproxen 提交 2014-02-13	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 25–607（583 aa）片段：UNP residues 25-607	未记录	NPS (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid × 2 SIN SUCCINIC ACID × 1 ACT ACETATE ION × 2 MLI MALONATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.6 M Ammonium sulfate, 0.1 M acetate buffer pH 4.5, cocrystallization with Naproxen, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.42 Å R-free 0.247
5HOZ Crystal structure of Equine Serum Albumin (ESA) at pH 9.0 提交 2016-01-19	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 25–607（583 aa）	突变：R561A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9；289 K；1 ul of 32 mg/ml protein in 10 mM Tris pH 7.5, 150 mM NaCl was mixed with 1 ul of the well condition (100 mM Tris, 2.4 M Ammonium phosphate, final pH 9.0) and equilibrated against well solution on 15-well Crystallization Plate (Qiagen)	分辨率 2.15 Å R-free 0.239
5IIH Crystal structure of Equine Serum Albumin in the presence of 2.5 mM zinc at pH 7.4 提交 2016-03-01	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 25–607（583 aa）片段：residues 25-607	未记录	ZN ZINC ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl pH 7.4, 2.0 M (NH4)2SO4, 5 mM ZnCl2) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen)	分辨率 2.40 Å R-free 0.235
5IIU Crystal structure of Equine Serum Albumin in the presence of 10 mM zinc at pH 6.9 提交 2016-03-01	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 25–607（583 aa）片段：residues 25-607	未记录	ZN ZINC ION × 10 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.9；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4, 5 mM ZnCl2, final pH 6.9) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 50 mM ZnCl2 in 100 mM Tris, final pH 6.9, to final concentration of 10 mM	分辨率 2.30 Å R-free 0.239
5IIX Crystal structure of Equine Serum Albumin in the presence of 15 mM zinc at pH 6.5 提交 2016-03-01	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 25–607（583 aa）片段：residues 25-607	未记录	ZN ZINC ION × 11 UNL UNKNOWN LIGAND × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4, 5 mM ZnCl2, final pH 6.5) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 50 mM ZnCl2 in 100 mM Tris, final pH 6.5, to final concentration of 15 mM	分辨率 2.20 Å R-free 0.228
5IJ5 Crystal structure of Equine Serum Albumin in the presence of 50 mM zinc at pH 4.5 提交 2016-03-01	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 25–607（583 aa）片段：residues 25-607	未记录	ZN ZINC ION × 15 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.5；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (2.0 M (NH4)2SO4, 0.1 M Na acetate, 0.1 M ZnCl2, final pH 4.5) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen)	分辨率 2.55 Å R-free 0.253
5IJE Crystal structure of Equine Serum Albumin in the presence of 30 mM zinc at pH 7.4 提交 2016-03-01	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 25–607（583 aa）片段：residues 25-607	未记录	ZN ZINC ION × 13 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4, 5 mM ZnCl2, final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 100 mM ZnCl2 in 100 mM Tris, final pH 7.4, to final concentration of 100 mM	分辨率 2.40 Å R-free 0.255
5V0V Crystal structure of Equine Serum Albumin complex with etodolac 提交 2017-02-28	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 25–607（583 aa）片段：UNP residues 25-607	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 4 SO4 SULFATE ION × 7 8QP [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid × 2 8QS [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 34 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 10 mM Etodolac.	分辨率 2.45 Å R-free 0.238
6CI6 Crystal structure of equine serum albumin in complex with nabumetone 提交 2018-02-23	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 25–607（583 aa）	未记录	SO4 SULFATE ION × 5 NBO nabumetone × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 KNA nonanoic acid × 1 UNX UNKNOWN LIGAND × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 34 mg/ml protein in 10 mM Tris pH 7.4 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.2 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 10 mM nabumetone	分辨率 2.80 Å R-free 0.256
6MDQ Crystal structure of equine serum albumin in complex with testosterone 提交 2018-09-05	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 25–607（583 aa）	未记录	FLC CITRATE ANION × 3 TES TESTOSTERONE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；289 K；0.2 ul of 15 mg/ml protein was mixed with 0.2 ul of the well condition (1.8 M ammonium dihydrogen citrate, pH 7.0) and equilibrated against well solution in 96-Well sitting drop crystallization plate (Swissci). Testosterone powder was added to the crystallization drop	分辨率 2.15 Å R-free 0.226
6U4R Crystal structure of Equine Serum Albumin complex with ketoprofen 提交 2019-08-26	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 25–607（583 aa）	未记录	9KL (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid × 3 KNA nonanoic acid × 1 UNX UNKNOWN LIGAND × 3 UNL UNKNOWN LIGAND × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1 ul of 35 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 3mM ketoprofen.	分辨率 2.45 Å R-free 0.233
6U4X Crystal structure of Equine Serum Albumin complex with ibuprofen 提交 2019-08-26	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 25–607（583 aa）	未记录	UNL UNKNOWN LIGAND × 1 UNX UNKNOWN LIGAND × 9 IBP IBUPROFEN × 2 SO4 SULFATE ION × 10	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289 K；1 ul of 36 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.4 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Ibuprofen powder was added to the crystallization drop.	分辨率 2.25 Å R-free 0.238
6U5A Crystal structure of Equine Serum Albumin complex with 6-MNA 提交 2019-08-27	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 25–607（583 aa）	未记录	UNX UNKNOWN LIGAND × 7 PWY (6-methoxynaphthalen-2-yl)acetic acid × 3 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289 K；1 ul of 35 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 3 mM 6-MNA.	分辨率 2.65 Å R-free 0.256
6XK0 Albumin-dexamethasone complex 提交 2020-06-24	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 25–607（583 aa）	非标准单体：是（mmCIF未提供具体位点）	DEX DEXAMETHASONE × 1 FLC CITRATE ANION × 1 MYR MYRISTIC ACID × 1 UNX UNKNOWN LIGAND × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；Prior to crystallization, 15 mg/ml protein was incubated with dexamethasone powder (10-fold molar excess) for 60 min at room temperature, and the mixture with the powder in suspension was used for crystallization. 1 ul of this mixture was mixed with 1 ul of the well condition (1.8 M ammonium dihydrogen citrate, pH 7.0) and equilibrated against the well solution in 15-Well hanging drop crystallization plate (Qiagen, EasyXtal). 1:1 mixture of Paratone N and mineral oil was used as a cryoprotectant	分辨率 2.40 Å R-free 0.249
7MBL Crystal structure of Equine Serum Albumin in complex with Cobalt (II) 提交 2021-03-31	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 25–607（583 aa）	未记录	CO COBALT (II) ION × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 COUNTER-DIFFUSION；pH 7.4；291 K；Protein: 1 uL of 34 mg/mL ESA dissolved in 10 mM Tris (pH 7.4) and 150 mM NaCl. Precipitant: 1 uL of 0.2 M lithium sulfate, 2.0 M ammonium sulfate, 0.1 M Tris pH 7.4. 15-Well hanging drop crystallization plate (Qiagen, EasyXtal). 3.3 uL of 50 mM cobalt (II) chloride dissolved in the reservoir solution were added directly to the 2 uL crystallization drop containing crystals to reach a final cobalt concentration of 31 mM and then incubated for a few hours before harvesting. Paratone was used as a cryoprotectant	分辨率 2.70 Å R-free 0.289
9S42 Complex of Equine Serum Albumin with Hydrolyzed Ampicillin 提交 2025-07-25	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 25–607（583 aa）	未记录	ZZ7 (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid × 1 FMT FORMIC ACID × 3 LMR (2S)-2-hydroxybutanedioic acid × 1 SIN SUCCINIC ACID × 1 ACT ACETATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；80% v/v Tacsimate, pH 6.0	分辨率 2.32 Å R-free 0.246
9S43 Complex of Equine Serum Albumin with Oxacillin 提交 2025-07-25	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 25–607（583 aa）	未记录	A1JLX (2~{R},5~{R},6~{S})-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid × 1 LMR (2S)-2-hydroxybutanedioic acid × 2 ACT ACETATE ION × 3 MLI MALONATE ION × 9 FMT FORMIC ACID × 4 SIN SUCCINIC ACID × 3 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；2.0 M ammonium sulfate, 0.1 M acetate buffer at pH 5.0 and then crystal was cryoprotected by 85% Tacsimate at pH 6.0	分辨率 2.03 Å R-free 0.206
9S73 Complex of Equine Serum Albumin with Ampicillin 提交 2025-08-02	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 25–607（583 aa）	未记录	ACT ACETATE ION × 1 FMT FORMIC ACID × 9 AIC (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID × 1 MLI MALONATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；2.0 M ammonium sulfate, 0.1 M acetate buffer pH 5.0	分辨率 2.50 Å R-free 0.263
9ZMD Equine Serum Albumin with Copper(II) 提交 2025-12-10	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 25–607（583 aa）	未记录	CU COPPER (II) ION × 6 SO4 SULFATE ION × 7 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；291.15 K；0.2 M lithium sulfate, 0.1 M Tris-HCl, pH 7.4, 2.2 M ammonium sulfate, 5 mM copper(II) chloride mixed 1:1 with 36 mg/mL protein, 10 mM Tris-HCl, 150 mM sodium chloride	分辨率 2.65 Å R-free 0.251

共 23 个其他 PDB 条目、23 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	ALBU_HORSE
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–580； UniProt 28–607

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。

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	5dqf
沉积日期 deposition_date	2015-09-14
结构标题 title	Horse Serum Albumin (ESA) in complex with Cetirizine
关键词 keywords	;albumin, cetirizine, ESA, NYSGRC, Structural Genomics, PSI-Biology, New York Structural Genomics Research Consortium, TRANSPORT PROTEIN ;; TRANSPORT 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	27.49 Å
回转半径 Rg (电子) rg_electron	26.51 Å
零角强度 I(0) i0	72973600.00
分子量 molecular_weight	65957.0 kDa
排除体积 excluded_volume	82117 Å³
包络体积 envelope_volume	100530 Å³
水化壳体积 shell_volume	31887 Å³
包络直径 envelope_diameter	92.6 Å
壳层 Rg shell_rg	33.45 Å
包络 Rg envelope_rg	26.63 Å
形状 Rg shape_rg	26.50 Å
总 Rg total_rg	27.25 Å
总原子数 total_atoms	4612
残基数 n_residues	580
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	87.9 Å
Rg (实空间) rg_real	27.40 Å
Rg 误差 (实空间) rg_real_error	0.52 Å
I(0) (实空间) i0_real	7.2970e+07
I(0) 误差 (实空间) i0_real_error	9.1850e+05
Rg (倒空间) rg_reciprocal	27.43 Å
I(0) (倒空间) i0_reciprocal	72980000.0000
解质量估计 total_estimate	0.7016
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	33.3 Å
偏度 Skewness skewness	0.227
峰度 Kurtosis kurtosis	-0.438
角度范围 angular_range	— – 0.2900 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	11050000.0000
实空间数据点数 n_real_points	59
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 0.127; Positv: 1.000; Valcen: 0.999; Smooth: 0.975

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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 (7)

实体 1 Entity 1 polymer

描述 description	Serum albumin
分子量 formula_weight	65413.7 kDa
突变 mutation	R561A
来源方法 src_method	nat
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	4860

KSEIAHRFNDLGEKHFKGLVLVAFSQYLQQCPFEDHVKLVNEVTEFAKKCAADESAENCDKSLHTLFGDKLCTVATLRATYGELADCCEKQEPERNECFLTHKDDHPNLPKLKPEPDAQCAAFQEDPDKFLGKYLYEVARRHPYFYGPELLFHAEEYKADFTECCPADDKLACLIPKLDALKERILLSSAKERLKCSSFQNFGERAVKAWSVARLSQKFPKADFAEVSKIVTDLTKVHKECCHGDLLECADDRADLAKYICEHQDSISGKLKACCDKPLLQKSHCIAEVKEDDLPSDLPALAADFAEDKEICKHYKDAKDVFLGTFLYEYSRRHPDYSVSLLLRIAKTYEATLEKCCAEADPPACYRTVFDQFTPLVEEPKSLVKKNCDLFEEVGEYDFQNALIVRYTKKAPQVSTPTLVEIGRTLGKVGSRCCKLPESERLPCSENHLALALNRLCVLHEKTPVSEKITKCCTDSLAERRPCFSALELDEGYVPKEFKAETFTFHADICTLPEDEKQIKKQSALAELVKHKPKATKEQLKTVLGNFSAFVAKCCGAEDKEACFAEEGPKLVASSQLALA

实体 2 Entity 2 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	7

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	(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
分子量 formula_weight	388.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 non-polymer

描述 description	(2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
分子量 formula_weight	388.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 6 Entity 6 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	4

实体 7 Entity 7 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	248

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7. 折叠分类 (SCOP + CATH) 9 domains

SCOP 2.08 (3 domains)

结构域编号 domain_id	d5dqfa1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.126 — Serum albumin-like
超家族 Superfamily superfamily	a.126.1 — Serum albumin-like
家族 Family family	a.126.1.0 — automated matches

结构域编号 domain_id	d5dqfa2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.126 — Serum albumin-like
超家族 Superfamily superfamily	a.126.1 — Serum albumin-like
家族 Family family	a.126.1.0 — automated matches

结构域编号 domain_id	d5dqfa3
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.126 — Serum albumin-like
超家族 Superfamily superfamily	a.126.1 — Serum albumin-like
家族 Family family	a.126.1.0 — automated matches

CATH v4.4 (6 domains)

结构域编号 domain_id	5dqfA01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	246 — Serum Albumin; Chain A, Domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	5dqfA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	246 — Serum Albumin; Chain A, Domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	5dqfA03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	246 — Serum Albumin; Chain A, Domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	5dqfA04
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	246 — Serum Albumin; Chain A, Domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	5dqfA05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	246 — Serum Albumin; Chain A, Domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	5dqfA06
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	246 — Serum Albumin; Chain A, Domain 1
同源超家族 H-superfamily homologous superfamily	10 —

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8. 引用文献 (1)

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晶胞边长 a length_a	94.234 Å
晶胞边长 b length_b	94.234 Å
晶胞边长 c length_c	141.893 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	6

空间群 space_group	P 61
空间群编号 int_tables_number	169
晶系 crystal_system	—

分辨率 resolution	2.150 Å
最低分辨率 resolution_low	80.000 Å
R 因子 r_factor	0.1912
R_work r_work	0.1888
R_free r_free	0.2407

fit	/app/data/saxs_computation/dq/5dqf/5dqf.fit
pddf	/app/data/pr_computation/dq/5dqf/5dqf.pr.out
profile	/app/data/saxs_computation/dq/5dqf/5dqf.dat

Horse Serum Albumin (ESA) in complex with Cetirizine