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5yqh

The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid

Method: X-RAY DIFFRACTION Dmax: 124.7 Å Quality: EXCELLENT
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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Cytochrome P450

Rhodopseudomonas palustris (strain HaA2)

UniProt Q2IU02

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 1–410 未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 3 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0 分辨率 2.30 Å R-free 0.237
2 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 1–410 未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 3 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0 分辨率 2.30 Å R-free 0.237
3 蛋白单体 单体 蛋白 × 1 PDB 声明：monomeric（1） 与蛋白拷贝数一致 链 C； UniProt 1–410 未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0 分辨率 2.30 Å R-free 0.237
4 蛋白单体 单体 蛋白 × 1 PDB 声明：monomeric（1） 与蛋白拷贝数一致 链 D； UniProt 1–410 未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZX 4-methoxybenzamide × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0 分辨率 2.30 Å R-free 0.237

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 5YQH 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
4DNZ The crystal structures of CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.60 Å R-free 0.256
4DNZ The crystal structures of CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.60 Å R-free 0.256
4DNZ The crystal structures of CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.60 Å R-free 0.256
4DNZ The crystal structures of CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.60 Å R-free 0.256
4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.189
4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.189
4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.189
4DO1 The crystal structures of 4-methoxybenzoate bound CYP199A4 提交 2012-02-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris, 1.45M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.189
4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.91 Å R-free 0.249
4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.91 Å R-free 0.249
4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.91 Å R-free 0.249
4EGM The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.5M Sodium fluoride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.91 Å R-free 0.249
4EGN The X-ray crystal structure of CYP199A4 in complex with veratric acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.207
4EGN The X-ray crystal structure of CYP199A4 in complex with veratric acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.207
4EGN The X-ray crystal structure of CYP199A4 in complex with veratric acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.207
4EGN The X-ray crystal structure of CYP199A4 in complex with veratric acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 TWO 3,4-dimethoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 30%(w/v) 1,5-Diaminopentane dihydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.00 Å R-free 0.207
4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 3 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.76 Å R-free 0.214
4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 2 SO4 SULFATE ION × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.76 Å R-free 0.214
4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 2 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.76 Å R-free 0.214
4EGO The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1F1 1H-indole-6-carboxylic acid × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 1.0M Sodium iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.76 Å R-free 0.214
4EGP The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 FIV naphthalene-2-carboxylic acid × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.1M CoCl2, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 3.00 Å R-free 0.287
4EGP The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid 提交 2012-03-31 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 FIV naphthalene-2-carboxylic acid × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-tris, 1.45M (NH4)2SO4, 0.1M NaCl, 0.1M CoCl2, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 3.00 Å R-free 0.287
5KDB The crystal structure of 4-isopropylbenzoate-bound CYP199A4 提交 2016-06-07 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 18–410（393 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4IA 4-propan-2-ylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M Magnesium acetate PEG 3350 - 23% w/v 0.1M Bis-Tris, pH 5.5
分辨率 1.64 Å R-free 0.186
5KDY The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate 提交 2016-06-08 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 18–410（393 aa）
突变：D252N HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.2M Magnesium acetate PEG 3350 - 20% w/v Bis Tris 0.1M - pH 5.25
分辨率 1.59 Å R-free 0.248
5KDZ The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate 提交 2016-06-08 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 18–410（393 aa）
突变：T253A ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.2M Magnesium acetate PEG 3350, 23% w/v 0.1M Bis-Tris, pH 5.25
分辨率 1.42 Å R-free 0.177
5KT1 The crystal structure of 4-methylthiobenzoate-bound CYP199A4 提交 2016-07-11 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 18–410（393 aa）
未记录 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M Magnesium acetate PEG 3350 - 23% w/v Bis-Tris 0.1M - pH 5.5
分辨率 2.02 Å R-free 0.223
5U6T The crystal structure of 4-ethoxybenzoate-bound CYP199A4 提交 2016-12-08 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 18–410（393 aa） 片段：UNP residues 18-410
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81J 4-ethoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.75；289.15 K；PEG 3350: 29% w/v MgAc: 0.2M Bis-Tris pH 5.75, 0.1M 1mM 4-ethoxybenzoic acid in 35mg/mL protein
分辨率 1.94 Å R-free 0.184
5U6U The crystal structure of 4-ethylthiobenzoate-bound CYP199A4 提交 2016-12-08 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 18–410（393 aa） 片段：UNP residues 18-410
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81M 4-(ethylsulfanyl)benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.2M MgAc 0.1M Bis-Tris, pH 5.25. PEG 3350 23% w/v. 1mM 4-ethylthiobenzoic acid substrate in protein sample
分辨率 1.79 Å R-free 0.202
5U6W The crystal structure of 4-methylaminobenzoate-bound CYP199A4 提交 2016-12-09 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 18–410（393 aa） 片段：UNP residues 18-410
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81P 4-(methylamino)benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M MgAc Bis-Tris 0.1M, pH 5.5 PEG 3350, 23 % w/v. 1mM 4-methylaminobenzoic acid in protein sample.
分辨率 2.64 Å R-free 0.261
5UVB The crystal structure of 4-cyclopropylbenzoate-bound CYP199A4 提交 2017-02-20 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 18–410（393 aa） 片段：UNP residues 18-410
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 8QM 4-cyclopropylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298.15 K；23% PEG3350 w/v, 50mM Bis-Tris, pH 5.0, MgAc, 0.2M
分辨率 1.54 Å R-free 0.179
5YQA The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid 提交 2017-11-06 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZU 4-propylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.25M NaCl, 1.5M (NH4)2SO4, 0.1M Bis-Tris, pH 8.0
分辨率 1.38 Å R-free 0.196
6C2D The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4 提交 2018-01-08 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 18–410（393 aa）
未记录 CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EH1 4-cyclohexylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；PEG 3350, 23 % w/v Bis-Tris, 0.1M, pH 5.25 MgAc, 0.2M
分辨率 1.79 Å R-free 0.186
6C3H The crystal structure of 4-n-heptylbenzoate-bound CYP199A4 提交 2018-01-09 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 18–410（393 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EJV 4-heptylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；McAc, 0.2M Bis-Tris, 0.1M, pH 5.5 PEG-3350, 26 % w/v
分辨率 1.71 Å R-free 0.211
6C3J The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4 提交 2018-01-09 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 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric
链 A 18–410（393 aa）
未记录 EJD 4-(thiophen-3-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2M MgAc 0.1M Bis-Tris, pH 5.5 23 % w/v PEG-3350
分辨率 1.66 Å R-free 0.195
6OOW The crystal structure of 4-ethylbenzoate bound to T252A mutant of CYP199A4 提交 2019-04-23 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 18–410（393 aa）
未记录 CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.1 M Bis-Tris, pH 5.5, 23% w/v PEG3350, 0.2 M magnesium acetate tetrahydrate
分辨率 1.60 Å R-free 0.168
6OOX The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4 提交 2019-04-23 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 18–410（393 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4IA 4-propan-2-ylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；0.1 M Bis-Tris, pH 5.25, 23% w/v PEG3350, 0.2 M magnesium acetate tetrahydrate
分辨率 1.77 Å R-free 0.290
6PQ6 The crystal structure of 3-methoxybenzoate-bound CYP199A4 提交 2019-07-08 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 1–410（410 aa）
未记录 OVM 3-methoxybenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1:1 35-40 mg/mL protein (in 50 mM Tris-HCl, pH 7.4) + reservoir (0.2 M magnesium acetate, 100 mM Bis-Tris buffer adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350)
分辨率 1.66 Å R-free 0.185
6PQD The crystal structure of 3-methylthiobenzoate-bound CYP199A4 提交 2019-07-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 OVP 3-(methylsulfanyl)benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1:1 35-40 mg/mL CYP199A4 (in 50 mM Tris-HCl, pH 7.4) + reservoir (0.2 M magnesium acetate, 100 mM Bis-Tris buffer adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350)
分辨率 1.89 Å R-free 0.200
6PQS The crystal structure of 4-methylbenzoate-bound CYP199A4 提交 2019-07-10 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MA 4-METHYLBENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350
分辨率 1.60 Å R-free 0.194
6PQW The crystal structure of 3-methylbenzoate-bound CYP199A4 提交 2019-07-10 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 1–410（410 aa）
未记录 OVV 3-methylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350
分辨率 1.68 Å R-free 0.188
6PRR The crystal structure of 3-methylaminobenzoate-bound CYP199A4 提交 2019-07-11 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 1–410（410 aa）
未记录 OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1:1 35-40 mg/mL protein (in 50 mM Tris-HCl, pH 7.4) + reservoir (0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350)
分辨率 1.67 Å R-free 0.184
6PRS The crystal structure of 3-ethoxybenzoate-bound CYP199A4 提交 2019-07-11 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 OW7 3-ethoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris adjusted with acetic acid to pH 5.0-5.75, 20-32% w/v PEG3350
分辨率 2.37 Å R-free 0.222
6U30 The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4 提交 2019-08-21 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 1–410（410 aa）
未记录 PQM 4-(pyridin-3-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
分辨率 1.66 Å R-free 0.193
6U31 The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4 提交 2019-08-21 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PQP 4-(1H-imidazol-1-yl)benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 20-32% w/v PEG3350
分辨率 1.58 Å R-free 0.178
6U3K The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4 提交 2019-08-21 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 PQS 4-(pyridin-2-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75),20-32% w/v PEG3350
分辨率 1.80 Å R-free 0.239
6UNN The crystal structure of 4-methoxycinnamic acid-bound CYP199A4 提交 2019-10-13 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 K3Z (E)-3-(4-methoxyphenyl)acrylic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；283.15 K；1 uL protein + 1 uL reservoir solution against 500 uL reservoir solution (0.2 M magnesium acetate, 15-30% PEG-3350, 0.1 M Bis-Tris, pH 5-5.75)
分辨率 1.66 Å R-free 0.196
6VJX The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4 提交 2020-01-18 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 18–410（393 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 QZP 4-(2-methylpropyl)benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；287.15 K；0.2 M magnesium acetate, 15-30% w/v PEG3350, 0.1 M Bis-Tris, pH 5-5.75
分辨率 1.79 Å R-free 0.179
6WZP The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4 提交 2020-05-14 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 18–410（393 aa）
突变：T252A CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MW7 4-ethenylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289.15 K；0.2 M magnesium acetate, 23% w/v PEG3350, 0.1 M Bis-Tris, pH 5.5
分辨率 1.65 Å R-free 0.250
7JW5 Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid 提交 2020-08-24 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 1–410（410 aa）
未记录 Z7Z biphenyl-4-carboxylic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32 % w/v PEG3350
分辨率 1.53 Å R-free 0.198
7JXB The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4 提交 2020-08-27 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 1–410（410 aa）
未记录 VLG 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；287 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
分辨率 1.66 Å R-free 0.166
7KCS The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 提交 2020-10-07 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 1–410（410 aa）
未记录 CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MW7 4-ethenylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.25；289.15 K；1 mM substrate, 0.2 M magnesium acetate tetrahydrate, 20-23% w/v PEG3350, 0.1 M Bis-Tris, pH 5.25, 500 uL reservoir, crystals grew in 2 weeks
分辨率 1.77 Å R-free 0.237
7N14 Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 提交 2021-05-26 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 1–410（410 aa）
未记录 ZRS 4-(1H-1,2,4-triazol-1-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
分辨率 1.54 Å R-free 0.197
7N60 The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant 提交 2021-06-07 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 18–410（393 aa） 片段：UNP residues 18-410
突变：S244D HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.25；289 K；0.1 M Bis-Tris, pH 5.25, 22% PEG3350, 0.2 M magnesium acetate
分辨率 1.89 Å R-free 0.264
7R8S The crystal structure of CYP199A4 bound to 4-n-propylbenzoic acid 提交 2021-06-27 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZU 4-propylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
分辨率 1.37 Å R-free 0.186
7R8T High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid 提交 2021-06-27 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
分辨率 1.37 Å R-free 0.180
7REH Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid 提交 2021-07-12 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 1–410（410 aa）
突变：T252E ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75) 20-32% w/v PEG3350
分辨率 1.54 Å R-free 0.203
7TND The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid 提交 2022-01-20 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 JO4 4-phenoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；0.2 M magnesium acetate, 100 mM Bis-Tris (adjusted with acetic acid to pH 5.0-5.75), 20-32% w/v PEG3350
分辨率 1.82 Å R-free 0.245
7TNF The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid 提交 2022-01-21 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 1–410（410 aa）
突变：F298V HEM PROTOPORPHYRIN IX CONTAINING FE × 1 Z7Z biphenyl-4-carboxylic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.54 Å R-free 0.171
7TNU The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid 提交 2022-01-21 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 1–410（410 aa）
突变：F298V HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EH1 4-cyclohexylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.58 Å R-free 0.211
7TP5 The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid 提交 2022-01-25 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 81M 4-(ethylsulfanyl)benzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.66 Å R-free 0.204
7TP6 The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid 提交 2022-01-25 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 1–410（410 aa）
未记录 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.66 Å R-free 0.232
7TQM The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid 提交 2022-01-26 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 18–410（393 aa）
未记录 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.44 Å R-free 0.203
7TRT The crystal structure of CYP199A4 bound to 4-(furan-2-yl)benzoic acid 提交 2022-01-30 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 KQF 4-(furan-2-yl)benzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.42 Å R-free 0.172
7TRU The crystal structure of WT CYP199A4 bound to 4-(thiophen-2-yl)benzoic acid 提交 2022-01-31 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 1–410（410 aa）
未记录 KQR 4-(thiophen-2-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.45 Å R-free 0.189
7TZM The crystal structure of WT CYP199A4 bound to 4-iodobenzoic acid 提交 2022-02-16 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 1–410（410 aa）
未记录 KZ6 4-iodobenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
分辨率 1.52 Å R-free 0.212
7TZN The crystal structure of WT CYP199A4 bound to 4-fluorobenzoic acid 提交 2022-02-16 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 1–410（410 aa）
未记录 1Y6 4-fluorobenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
分辨率 1.84 Å R-free 0.225
7TZW The crystal structure of WT CYP199A4 bound to 4-chlorobenzoic acid 提交 2022-02-16 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 1–410（410 aa）
未记录 174 4-CHLORO-BENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. Crystals were obtained using the hanging-drop vapour diffusion method at 16 degrees C using 1.2 microlitres of protein with 1.2 microlitres of reservoir solution and equilibrated with 500 microlitres of the same reservoir solution. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
分辨率 1.46 Å R-free 0.187
7TZX The crystal structure of WT CYP199A4 bound to 4-chloromethylbenzoic acid 提交 2022-02-16 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 1–410（410 aa）
未记录 L3C 4-(chloromethyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.41 Å R-free 0.180
7TZY The crystal structure of WT CYP199A4 bound to 4-(2-bromoethyl)benzoic acid 提交 2022-02-16 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 1–410（410 aa）
未记录 L3K 4-(2-bromoethyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.99 Å R-free 0.204
7U00 The crystal structure of WT CYP199A4 bound to 4-(2-chloroethyl)benzoic acid 提交 2022-02-17 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 L4I 4-(2-chloroethyl)benzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, CYP199A4 was concentrated to approx. 40 mg mL-1 in 50 mM Tris buffer, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.66 Å R-free 0.200
7UDF The crystal structure of F298V CYP199A4 bound to 4-n-propylbenzoic acid 提交 2022-03-18 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 1–410（410 aa）
突变：F298V HEM PROTOPORPHYRIN IX CONTAINING FE × 1 8ZU 4-propylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；For crystallisation, F298V CYP199A4 was concentrated to approx. 30-40 mg mL-1 in 50 mM Tris, pH 7.4. The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
分辨率 1.54 Å R-free 0.221
8D1C Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid 提交 2022-05-27 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 1–410（410 aa）
突变：T252E HEM PROTOPORPHYRIN IX CONTAINING FE × 1 M4F 4-(trifluoromethoxy)benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M Magnesium Acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32 % w/v polyethylene glycol (PEG) 3350
分辨率 1.95 Å R-free 0.234
8D39 The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid 提交 2022-06-01 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 1–410（410 aa）
未记录 QDB 4-benzoylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32% w/v polyethylene glycol (PEG) 3350
分辨率 1.27 Å R-free 0.148
8DYB The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid 提交 2022-08-03 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 18–410（393 aa）
突变：T252A HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MI 4-methylsulfanylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.88 Å R-free 0.262
8E5J The crystal structure of 4-n-butylbenzoic acid bound CYP199A4 提交 2022-08-22 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 18–410（393 aa）
未记录 MH0 Mesoheme × 1 HX1 4-butylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；287.15 K；0.2 M magnesium acetate, 15-30% w/v PEG3350, 0.1 M Bis-Tris, pH 5-5.75
分辨率 2.30 Å R-free 0.222
8G35 Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid 提交 2023-02-06 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 1–410（410 aa）
突变：F182L HEM PROTOPORPHYRIN IX CONTAINING FE × 1 YJE 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M Magnesium Acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32 % w/v polyethylene glycol (PEG) 3350
分辨率 2.00 Å R-free 0.220
8G36 Crystal structure of F182L-CYP199A4 in complex with terephthalic acid 提交 2023-02-06 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 1–410（410 aa）
突变：F182L HEM PROTOPORPHYRIN IX CONTAINING FE × 1 UB7 terephthalic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M Magnesium Acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20-32 % w/v polyethylene glycol (PEG) 3350
分辨率 2.10 Å R-free 0.253
8GLY Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid 提交 2023-03-23 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 3–410（408 aa）
突变：T252E HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PHB P-HYDROXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
分辨率 2.03 Å R-free 0.226
8GLZ Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide 提交 2023-03-23 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 3–410（408 aa）
突变：T252E HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PHB P-HYDROXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
分辨率 2.02 Å R-free 0.247
8GM1 Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide 提交 2023-03-24 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 3–410（408 aa）
突变：T252E HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
分辨率 1.85 Å R-free 0.200
8GM2 Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide 提交 2023-03-24 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 3–410（408 aa）
突变：T252E ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；0.2 M magnesium acetate, 100 mM Bis-Tris buffer (adjusted with acetic acid to pH 5.0-5.75) and 20 - 32 % PEG 3350
分辨率 2.33 Å R-free 0.269
8HGB Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid 提交 2022-11-14 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 1–410（410 aa）
突变：F182G HEM PROTOPORPHYRIN IX CONTAINING FE × 1 L6X 4-methoxy-3-oxidanyl-benzoic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M MgAc, 0.1 M Bis-tris 5.5, 27% PEG3350
分辨率 1.54 Å R-free 0.177
8HGC Crystal structure of the CYP199A4 mutant F182T in complex with 4-methoxybenzoic acid 提交 2022-11-14 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 1–410（410 aa）
突变：F182T HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.2 M MgAc, 0.1 M Bis-tris 5.5, 27% PEG3350
分辨率 1.72 Å R-free 0.177
8TAW The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid 提交 2023-06-28 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 1–410（410 aa）
突变：T252E CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PQS 4-(pyridin-2-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.73 Å R-free 0.185
8TAY The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid 提交 2023-06-28 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 1–410（410 aa）
突变：T252E EJD 4-(thiophen-3-yl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
分辨率 2.02 Å R-free 0.223
8TNK The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid 提交 2023-08-02 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 1–410（410 aa）
突变：T252E IRJ 4-benzylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization conditions used were those optimized for CYP199A4 previously: 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350.
分辨率 1.79 Å R-free 0.208
8VFP The crystal structure of GALQE CYP199A4 bound to 4-methylbenzoic acid 提交 2023-12-21 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 1–410（410 aa）
突变：A248G, G249A, D251Q, T252E 4MA 4-METHYLBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 2.70 Å R-free 0.277
8VFR The crystal structure of 4-methylbenzoic acid-bound GALQE CYP199A4 after soaking in 10 mM H2O2 for 5 minutes 提交 2023-12-21 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 1–410（410 aa）
突变：A248G, G249A, D251Q, T252E HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MA 4-METHYLBENZOIC ACID × 1 E5X 4-(hydroxymethyl)benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 2.02 Å R-free 0.239
8VKF The crystal structure of wild-type CYP199A4 bound to 4-propionylbenzoic acid 提交 2024-01-09 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LVK 4-propanoylbenzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.70 Å R-free 0.212
8VL0 The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid 提交 2024-01-11 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 1–410（410 aa）
未记录 LVC 4-(2-oxopropyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.84 Å R-free 0.222
8VOC The crystal structure of wild-type CYP199A4 bound to 4-trifluoromethoxybenzoic acid 提交 2024-01-15 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 1–410（410 aa）
未记录 M4F 4-(trifluoromethoxy)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.54 Å R-free 0.163
8VOK The crystal structure of wild-type CYP199A4 bound to 4-hydroxybenzoic acid 提交 2024-01-15 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 1–410（410 aa）
未记录 PHB P-HYDROXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.54 Å R-free 0.188
8VOT The crystal structure of wild-type CYP199A4 bound to 4-(hydroxymethyl)benzoic acid 提交 2024-01-16 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 1–410（410 aa）
未记录 E5X 4-(hydroxymethyl)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.53 Å R-free 0.168
9DOE The high-resolution crystal structure of WT CYP199A4 bound to 4-methoxybenzoic acid at 100 K 提交 2024-09-19 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.26 Å R-free 0.177
9DWR The crystal structure of F182AQE CYP199A4 bound to 4-methoxybenzoic acid 提交 2024-10-10 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 1–410（410 aa）
突变：F182A, D251Q, T252E HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.80 Å R-free 0.216
9DX8 The crystal structure of F182AQE CYP199A4 bound to 4-vinylbenzoic acid 提交 2024-10-10 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 1–410（410 aa）
突变：F182A, D251Q, T252E MW7 4-ethenylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.68 Å R-free 0.169
9DX9 The crystal structure of F182AQE CYP199A4 bound to 4-t-butylbenzoic acid 提交 2024-10-10 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 1–410（410 aa）
突变：F182A, D251Q, T252E HEM PROTOPORPHYRIN IX CONTAINING FE × 1 5R0 4-~{tert}-butylbenzoic acid × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.52 Å R-free 0.166
9DXW The crystal structure of F182A CYP199A4 bound to 4-t-butylbenzoic acid 提交 2024-10-11 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 1–410（410 aa）
突变：F182A HEM PROTOPORPHYRIN IX CONTAINING FE × 1 5R0 4-~{tert}-butylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 2.05 Å R-free 0.235
9DY5 The crystal structure of F182A CYP199A4 bound to 4-methylthiobenzoic acid 提交 2024-10-13 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 1–410（410 aa）
突变：F182A HEM PROTOPORPHYRIN IX CONTAINING FE × 1 4MI 4-methylsulfanylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 2.50 Å R-free 0.281
9DY9 The crystal structure of F182A CYP199A4 bound to 4-methoxybenzoic acid 提交 2024-10-13 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 1–410（410 aa）
突变：F182A ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.67 Å R-free 0.192
9DYC The crystal structure of F182A CYP199A4 bound to 4-ethylbenzoic acid 提交 2024-10-13 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 1–410（410 aa）
突变：F182A HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EGM 4-ethylbenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 2.20 Å R-free 0.230
9DZR The crystal structure of F182AQE CYP199A4 bound to 4-methylthiobenzoic acid 提交 2024-10-16 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 1–410（410 aa）
突变：F182A, D251Q, T252E 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.73 Å R-free 0.234
9DZR The crystal structure of F182AQE CYP199A4 bound to 4-methylthiobenzoic acid 提交 2024-10-16 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 1–410（410 aa）
突变：F182A, D251Q, T252E 4MI 4-methylsulfanylbenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；100 mM Bis-Tris (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate, 20-32% PEG3350
分辨率 1.73 Å R-free 0.234
9MIM The 100-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 1, increasing temperature series) 提交 2024-12-13 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 1–410（410 aa）
未记录 OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.37 Å R-free 0.167
9MIO The 150-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 2, increasing temperature series) 提交 2024-12-13 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 1–410（410 aa）
未记录 OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.40 Å R-free 0.183
9MJE The 200-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 3, increasing temperature series) 提交 2024-12-14 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 1–410（410 aa）
未记录 OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.95 Å R-free 0.190
9MJF The 150-K crystal structure of CYP199A4 bound to 4-methoxybenzoic acid (dataset 2, increasing temperature series) 提交 2024-12-15 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 1–410（410 aa）
未记录 ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.50 Å R-free 0.199
9MJJ The 200-K crystal structure of CYP199A4 bound to 4-methoxybenzoic acid (dataset 3, increasing temperature series) 提交 2024-12-15 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 1–410（410 aa）
未记录 ANN 4-METHOXYBENZOIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.39 Å R-free 0.178
9MJK The 300-K crystal structure of CYP199A4 bound to 4-methoxybenzoic acid (dataset 4, increasing temperature series) 提交 2024-12-16 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ANN 4-METHOXYBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 2.50 Å R-free 0.250
9PLS The 200-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 1; decreasing temperature series) 提交 2025-07-16 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 1–410（410 aa）
未记录 OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.76 Å R-free 0.199
9PMA The 150-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 2; decreasing temperature series) 提交 2025-07-16 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 1–410（410 aa）
未记录 OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.75 Å R-free 0.195
9PMC The 100-K crystal structure of CYP199A4 bound to 3-methylaminobenzoic acid (dataset 3; decreasing temperature series) 提交 2025-07-17 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 1–410（410 aa）
未记录 OW4 3-(methylamino)benzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallisation buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.51 Å R-free 0.206
9ZEG The 100-K crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid (dataset 1; increasing temperature series) 提交 2025-11-29 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 1–410（410 aa）
未记录 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 JO4 4-phenoxybenzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.53 Å R-free 0.200
9ZEH The 150-K crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid (dataset 2; increasing temperature series) 提交 2025-11-29 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 1–410（410 aa）
未记录 JO4 4-phenoxybenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.51 Å R-free 0.184
9ZEI The 200-K crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid (dataset 3; increasing temperature series) 提交 2025-11-30 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 1–410（410 aa）
未记录 JO4 4-phenoxybenzoic acid × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289.15 K；The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350
分辨率 1.74 Å R-free 0.199

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UniProt名称 Q2IU02_RHOP2
Isoform —
PDB实体 1
链与序列区间 作者链 A； PDB构建体 1–410； UniProt 1–410 作者链 B； PDB构建体 1–410； UniProt 1–410 作者链 C； PDB构建体 1–410； UniProt 1–410 作者链 D； PDB构建体 1–410； UniProt 1–410

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

SAXS profile for 5yqh

P(r) 距离分布 P(r) Distribution

P(r) distribution for 5yqh
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id5yqh
沉积日期 deposition_date2017-11-06
结构标题 titleThe crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
关键词 keywordsCytochrome P450; metabolites biosynthesis; catabolism Cytoplasm, OXIDOREDUCTASE; OXIDOREDUCTASE
实验方法 methodX-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_guinier40.22 Å
回转半径 Rg (电子) rg_electron39.49 Å
零角强度 I(0) i0475569000.00
分子量 molecular_weight177170.0 kDa
排除体积 excluded_volume220960 ų
包络体积 envelope_volume279980 ų
水化壳体积 shell_volume57752 ų
包络直径 envelope_diameter126.4 Å
壳层 Rg shell_rg46.64 Å
包络 Rg envelope_rg38.58 Å
形状 Rg shape_rg39.45 Å
总 Rg total_rg39.99 Å
总原子数 total_atoms12460
残基数 n_residues1572
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 Å−1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3
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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax124.7 Å
Rg (实空间) rg_real40.08 Å
Rg 误差 (实空间) rg_real_error0.81 Å
I(0) (实空间) i0_real4.7560e+08
I(0) 误差 (实空间) i0_real_error7.4840e+06
Rg (倒空间) rg_reciprocal40.22 Å
I(0) (倒空间) i0_reciprocal475600000.0000
解质量估计 total_estimate0.9058
解质量评级 solution_quality EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary60.8 Å
偏度 Skewness skewness0.057
峰度 Kurtosis kurtosis-0.756
角度范围 angular_range— – 0.1950 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha168200000.0000
实空间数据点数 n_real_points40
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.944; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.941
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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)

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7. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_idd5yqha_
类 Class classa — All alpha proteins
折叠类型 Fold folda.104 — Cytochrome P450
超家族 Superfamily superfamilya.104.1 — Cytochrome P450
家族 Family familya.104.1.0 — automated matches
结构域编号 domain_idd5yqhb_
类 Class classa — All alpha proteins
折叠类型 Fold folda.104 — Cytochrome P450
超家族 Superfamily superfamilya.104.1 — Cytochrome P450
家族 Family familya.104.1.0 — automated matches
结构域编号 domain_idd5yqhc_
类 Class classa — All alpha proteins
折叠类型 Fold folda.104 — Cytochrome P450
超家族 Superfamily superfamilya.104.1 — Cytochrome P450
家族 Family familya.104.1.0 — automated matches
结构域编号 domain_idd5yqhd_
类 Class classa — All alpha proteins
折叠类型 Fold folda.104 — Cytochrome P450
超家族 Superfamily superfamilya.104.1 — Cytochrome P450
家族 Family familya.104.1.0 — automated matches

CATH v4.4 (4 domains)

结构域编号 domain_id5yqhA00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily10 — Cytochrome P450
结构域编号 domain_id5yqhB00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily10 — Cytochrome P450
结构域编号 domain_id5yqhC00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily10 — Cytochrome P450
结构域编号 domain_id5yqhD00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily10 — Cytochrome P450
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8. 引用文献 (1)

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9. 文件与曲线 (10)