7g1q

Crystal Structure of human FABP5 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid

Method: X-RAY DIFFRACTION D_max: 48.7 Å Quality: GOOD

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

Fatty acid-binding protein 5

Homo sapiens

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 1–135	未记录	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 IOV (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.24 Å R-free 0.201

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 7G1Q	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
1B56 HUMAN RECOMBINANT EPIDERMAL FATTY ACID BINDING PROTEIN 提交 1999-01-12	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 1–135（135 aa）	未记录	PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；pH 6.0	分辨率 2.05 Å R-free 0.260
1JJJ SOLUTION STRUCTURE OF RECOMBINANT HUMAN EPIDERMAL-TYPE FATTY ACID BINDING PROTEIN 提交 2001-07-06	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 1–135（135 aa）	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 5.6；298 K；离子强度（mmCIF原始值）20 mM POTASSIUM PHOSPHATE；压力 AMBIENT NMR样品组成 1.5-2 MM E-FABP PHOSPHATE BUFFER; 0.05% SODIUM AZIDE	分辨率未提供
4AZM Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413 提交 2012-06-26	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 1–135（135 aa）链 B 1–135（135 aa）	未记录	T4B ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.32 M SODIUM CITRATE, 0.1 M HEPES PH 7.0, SATURATED WITH RESPECT TO BMS-309403, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K. CRYOPROTECTION: 28% GLYCEROL IN MOTHER LIQUOR.	分辨率 2.75 Å R-free 0.252
4AZR Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide 提交 2012-06-26	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 1–135（135 aa）链 B 1–135（135 aa）	未记录	A9M N-(2-hydroxyethyl)icosanamide × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；25% PEG 3350, 0.1 M HEPES PH 7.5. FABP INCUBATED IN A SOLUTION SATURATED WITH RESPECT TO ANANDAMIDE PRIOR TO CRYSTALLIZATION. CRYPROTECTION: 25% GLYCEROL IN MOTHER LIQUOR.	分辨率 2.95 Å R-free 0.268
4LKP Crystal Structure of Apo Human Epidermal Fatty Acid Binding Protein (FABP5) 提交 2013-07-08	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 1–135（135 aa）	未记录	CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 2 NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；291 K；2.0M ammonium sulfate, 300mM Na/K tartrate, 100mM Na citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.67 Å R-free 0.214
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid 提交 2013-07-08	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 1–135（135 aa）	未记录	EIC LINOLEIC ACID × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.57 Å R-free 0.259
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid 提交 2013-07-08	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 1–135（135 aa）	未记录	EIC LINOLEIC ACID × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 TAR D(-)-TARTARIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.57 Å R-free 0.259
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid 提交 2013-07-08	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 1–135（135 aa）	未记录	EIC LINOLEIC ACID × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 TAR D(-)-TARTARIC ACID × 1 CIT CITRIC ACID × 1 NH4 AMMONIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.57 Å R-free 0.259
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid 提交 2013-07-08	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 1–135（135 aa）	未记录	EIC LINOLEIC ACID × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 TAR D(-)-TARTARIC ACID × 1 NH4 AMMONIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.57 Å R-free 0.259
5HZ5 FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline 提交 2016-02-02	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 2–135（134 aa）片段：SOLUBLE FORM, RESIDUES 2-135	未记录	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 65X 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；295 K	分辨率 1.40 Å R-free 0.228
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 3 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 提交 2017-02-09	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 1–135（135 aa）	未记录	8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15	分辨率 2.20 Å R-free 0.237
7FWI Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	NC0 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 2.00 Å R-free 0.273
7FWI Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–135（135 aa）	未记录	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 2.00 Å R-free 0.273
7FWI Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–135（135 aa）	未记录	NC0 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 2.00 Å R-free 0.273
7FXD Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	NC0 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 2.44 Å R-free 0.280
7FY0 Crystal Structure of human FABP5 in complex with (2R)-1-[(3,5-dichloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid, i.e. SMILES c1(cc(cc(c1c1ccccc1)Cl)Cl)NC(=O)N1CCC[C@@H]1C(=O)O with IC50=18 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 UOF 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.34 Å R-free 0.192
7FYD Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid, i.e. SMILES c1(ccc2c(c1)c(c1ccccc1)c(c(n2)C(C)C)C(=O)O)Cl with IC50=2.6 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 VLQ 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.45 Å R-free 0.223
7G01 Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid, i.e. SMILES n1c(c(c(c2c1ccc(c2)Cl)c1ccccc1)C(=O)O)N1CCCCC1 with IC50=1.1 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 5M7 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid × 2 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.17 Å R-free 0.171
7G04 Crystal Structure of human FABP5 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, i.e. SMILES c12c(ccc(c2)c2ccc(cc2)Cl)CCC[C@H]1C(=O)O with IC50=3.3 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.40 Å R-free 0.220
7G04 Crystal Structure of human FABP5 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, i.e. SMILES c12c(ccc(c2)c2ccc(cc2)Cl)CCC[C@H]1C(=O)O with IC50=3.3 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–135（135 aa）	未记录	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 WXZ (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.40 Å R-free 0.220
7G0B Crystal Structure of human FABP5 in complex with 7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid, i.e. SMILES [C@@H]1([C@@H](CCN(c2c1cc(cc2)Br)C)C(=O)O)c1ccccc1 with IC50=2.3 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 WK0 (4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.47 Å R-free 0.219
7G0E Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM 提交 2023-04-27	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–135（135 aa）	未记录	DMS DIMETHYL SULFOXIDE × 1 L8T 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid × 2 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368	分辨率 1.11 Å R-free 0.191

共 16 个其他 PDB 条目、29 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	FABP5_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 4–138； UniProt 1–135

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	7g1q
沉积日期 deposition_date	2023-04-27
结构标题 title	Crystal Structure of human FABP5 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid
关键词 keywords	LIPID BINDING PROTEIN, FATTY ACID BINDING PROTEIN, CYTOPLASM, LIPID-BINDING, TRANSPORT, PROTEIN BINDING; LIPID BINDING 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	15.33 Å
回转半径 Rg (电子) rg_electron	14.05 Å
零角强度 I(0) i0	5201410.00
分子量 molecular_weight	15686.0 kDa
排除体积 excluded_volume	19362 Å³
包络体积 envelope_volume	21878 Å³
水化壳体积 shell_volume	13057 Å³
包络直径 envelope_diameter	47.5 Å
壳层 Rg shell_rg	20.09 Å
包络 Rg envelope_rg	14.33 Å
形状 Rg shape_rg	14.03 Å
总 Rg total_rg	15.25 Å
总原子数 total_atoms	1087
残基数 n_residues	134
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	48.7 Å
Rg (实空间) rg_real	15.20 Å
Rg 误差 (实空间) rg_real_error	0.22 Å
I(0) (实空间) i0_real	5.2010e+06
I(0) 误差 (实空间) i0_real_error	5.4010e+04
Rg (倒空间) rg_reciprocal	15.21 Å
I(0) (倒空间) i0_reciprocal	5201000.0000
解质量估计 total_estimate	0.8894
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	20.4 Å
偏度 Skewness skewness	0.100
峰度 Kurtosis kurtosis	-0.405
角度范围 angular_range	— – 0.5000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1257000.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.857; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.992

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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 (5)

实体 1 Entity 1 polymer

描述 description	Fatty acid-binding protein 5
分子量 formula_weight	15467.7 kDa
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	1237

GSHMATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21(DE3)

实体 2 Entity 2 non-polymer

描述 description	DIMETHYL SULFOXIDE
分子量 formula_weight	78.1 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	2

实体 4 Entity 4 non-polymer

描述 description	(1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
分子量 formula_weight	382.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 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	114

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8. 引用文献 (1)

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晶胞边长 a length_a	62.724 Å
晶胞边长 b length_b	62.724 Å
晶胞边长 c length_c	75.485 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	P 43 21 2
空间群编号 int_tables_number	96
晶系 crystal_system	—

分辨率 resolution	1.240 Å
最低分辨率 resolution_low	44.350 Å
R 因子 r_factor	0.1717
R_work r_work	0.1702
R_free r_free	0.2010

fit	/app/data/saxs_computation/g1/7g1q/7g1q.fit
pddf	/app/data/pr_computation/g1/7g1q/7g1q.pr.out
profile	/app/data/saxs_computation/g1/7g1q/7g1q.dat