Ornithine aminotransferase, mitochondrial
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 | 蛋白同源多聚体 同源多聚体 蛋白 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 | 链 A； UniProt 36–439 链 B； UniProt 36–439 | 未记录 | I1T (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid × 2 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, OAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplied supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 was being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen | 分辨率 2.63 Å R-free 0.288 |
| 2 | 蛋白同源多聚体 同源多聚体 蛋白 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 | 链 C； UniProt 36–439 链 I； UniProt 36–439 | 未记录 | I1T (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 1 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, OAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplied supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 was being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen | 分辨率 2.63 Å R-free 0.288 |
| 3 | 蛋白同源多聚体 同源多聚体 蛋白 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 | 链 D； UniProt 36–439 链 E； UniProt 36–439 | 未记录 | I1T (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid × 2 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, OAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplied supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 was being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen | 分辨率 2.63 Å R-free 0.288 |
| 4 | 蛋白同源多聚体 同源多聚体 蛋白 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 | 链 F； UniProt 36–439 | 未记录 | I1T (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid × 2 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, OAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplied supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 was being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen | 分辨率 2.63 Å R-free 0.288 |
| 5 | 蛋白同源多聚体 同源多聚体 蛋白 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 | 链 G； UniProt 36–439 链 H； UniProt 36–439 | 未记录 | I1T (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid × 2 | X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, OAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplied supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 was being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen | 分辨率 2.63 Å R-free 0.288 |
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 7TED | 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 |
|---|---|---|---|---|---|---|---|
| 10LW Final Adduct of Human Ornithine Aminotransferase Inactivated by (1R,4S)-4-Amino-3-(trifluoromethyl)cyclopent-2-ene-1-carboxylic Acid 提交 2026-01-27 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
1–439（439 aa）
|
未记录 | RMT (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；7.25%-8.50% PEG 6000, 100 mM-250 mM NaCl, 2-3.5% glycerol, and 100 mM Tricine pH 7.8.
|
分辨率 1.93 Å R-free 0.217 |
| 10LW Final Adduct of Human Ornithine Aminotransferase Inactivated by (1R,4S)-4-Amino-3-(trifluoromethyl)cyclopent-2-ene-1-carboxylic Acid 提交 2026-01-27 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
1–439（439 aa）
链 C
1–439（439 aa）
|
未记录 | RMT (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid × 2 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；7.25%-8.50% PEG 6000, 100 mM-250 mM NaCl, 2-3.5% glycerol, and 100 mM Tricine pH 7.8.
|
分辨率 1.93 Å R-free 0.217 |
| 10LX High Stable Quinonoid Intermediate of Human Ornithine Aminotransferase Complexed with (1R,4S)-4-Amino-3-(trifluoromethyl)cyclopent-2-ene-1-carboxylic Acid 提交 2026-01-27 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
1–439（439 aa）
链 C
1–439（439 aa）
|
未记录 | A1C6V (1S,4R)-4-(difluoromethyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；7.25%-8.50% PEG 6000, 100 mM-250 mM NaCl, 2-3.5% glycerol, and 100 mM Tricine pH 7.8.
|
分辨率 1.83 Å R-free 0.234 |
| 10LX High Stable Quinonoid Intermediate of Human Ornithine Aminotransferase Complexed with (1R,4S)-4-Amino-3-(trifluoromethyl)cyclopent-2-ene-1-carboxylic Acid 提交 2026-01-27 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
1–439（439 aa）
|
未记录 | A1C6V (1S,4R)-4-(difluoromethyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；7.25%-8.50% PEG 6000, 100 mM-250 mM NaCl, 2-3.5% glycerol, and 100 mM Tricine pH 7.8.
|
分辨率 1.83 Å R-free 0.234 |
| 1GBN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOXIN GABACULINE 提交 1997-05-29 | 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 × 3 PDB 声明：trimeric |
链 A
38–439（402 aa）
链 B
38–439（402 aa）
链 C
38–439（402 aa）
|
未记录 | GAB 3-AMINOBENZOIC ACID × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 3 GBC GABACULINE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.30 Å R-free 0.235 |
| 1GBN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOXIN GABACULINE 提交 1997-05-29 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
38–439（402 aa）
链 B
38–439（402 aa）
|
未记录 | GAB 3-AMINOBENZOIC ACID × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 2 GBC GABACULINE × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.30 Å R-free 0.235 |
| 1GBN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOXIN GABACULINE 提交 1997-05-29 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
38–439（402 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 GBC GABACULINE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.30 Å R-free 0.235 |
| 1GBN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOXIN GABACULINE 提交 1997-05-29 | 构建体不同 突变/修饰不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 4 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric |
链 A
38–439（402 aa）
链 B
38–439（402 aa）
链 C
38–439（402 aa）
|
未记录 | GAB 3-AMINOBENZOIC ACID × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 4 GBC GABACULINE × 3 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.30 Å R-free 0.235 |
| 1OAT ORNITHINE AMINOTRANSFERASE 提交 1997-03-26 | 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 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
1–439（439 aa）
链 B
1–439（439 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.8；pH 7.8
|
分辨率 2.50 Å R-free 0.235 |
| 1OAT ORNITHINE AMINOTRANSFERASE 提交 1997-03-26 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
1–439（439 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.8；pH 7.8
|
分辨率 2.50 Å R-free 0.235 |
| 2BYJ Ornithine aminotransferase mutant Y85I 提交 2005-08-02 | 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 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
1–439（439 aa）
链 B
1–439（439 aa）
|
突变：YES 突变：YES | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.9；6-10%PEG6000, 120-160MM NACL, 50MM TRICINE PH7.9, 1MM DTT, pH 7.90
|
分辨率 3.02 Å R-free 0.226 |
| 2BYJ Ornithine aminotransferase mutant Y85I 提交 2005-08-02 | 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 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
1–439（439 aa）
|
突变：YES | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.9；6-10%PEG6000, 120-160MM NACL, 50MM TRICINE PH7.9, 1MM DTT, pH 7.90
|
分辨率 3.02 Å R-free 0.226 |
| 2BYL Structure of ornithine aminotransferase triple mutant Y85I Y55A G320F 提交 2005-08-03 | 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 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
1–439（439 aa）
链 B
1–439（439 aa）
|
突变：YES 突变：YES | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.9；6-10%PEG6000, 120-160MM NACL, 50MM TRICINE PH7.9, 1MM DTT, pH 7.90
|
分辨率 2.15 Å R-free 0.191 |
| 2BYL Structure of ornithine aminotransferase triple mutant Y85I Y55A G320F 提交 2005-08-03 | 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 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
1–439（439 aa）
|
突变：YES | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.9；6-10%PEG6000, 120-160MM NACL, 50MM TRICINE PH7.9, 1MM DTT, pH 7.90
|
分辨率 2.15 Å R-free 0.191 |
| 2CAN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-CANALINE 提交 1997-05-29 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
38–439（402 aa）
链 B
38–439（402 aa）
|
未记录 | CAN CANALINE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.30 Å R-free 0.238 |
| 2CAN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-CANALINE 提交 1997-05-29 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
38–439（402 aa）
|
未记录 | CAN CANALINE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.30 Å R-free 0.238 |
| 2OAT ORNITHINE AMINOTRANSFERASE COMPLEXED WITH 5-FLUOROMETHYLORNITHINE 提交 1998-05-07 | 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 × 4 PDB 声明：tetrameric |
链 A
1–439（439 aa）
链 B
1–439（439 aa）
链 C
1–439（439 aa）
|
未记录 | PFM 1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE × 4 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.9；(2S,5S)5FMORN-OAT WAS CO-CRYSTALLIZED FROM 6-10% PEG 6000, 1MM DTT, 120-160 MM NACL, 10-20% GLYCEROL, 50 MM TRICIN, PH 7.9.
|
分辨率 1.95 Å R-free 0.232 |
| 2OAT ORNITHINE AMINOTRANSFERASE COMPLEXED WITH 5-FLUOROMETHYLORNITHINE 提交 1998-05-07 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
1–439（439 aa）
链 B
1–439（439 aa）
|
未记录 | PFM 1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.9；(2S,5S)5FMORN-OAT WAS CO-CRYSTALLIZED FROM 6-10% PEG 6000, 1MM DTT, 120-160 MM NACL, 10-20% GLYCEROL, 50 MM TRICIN, PH 7.9.
|
分辨率 1.95 Å R-free 0.232 |
| 2OAT ORNITHINE AMINOTRANSFERASE COMPLEXED WITH 5-FLUOROMETHYLORNITHINE 提交 1998-05-07 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
1–439（439 aa）
|
未记录 | PFM 1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
pH 7.9；(2S,5S)5FMORN-OAT WAS CO-CRYSTALLIZED FROM 6-10% PEG 6000, 1MM DTT, 120-160 MM NACL, 10-20% GLYCEROL, 50 MM TRICIN, PH 7.9.
|
分辨率 1.95 Å R-free 0.232 |
| 5VWO Ornithine aminotransferase inactivated by (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP) 提交 2017-05-22 | 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 × 3 PDB 声明：trimeric |
链 A
36–439（404 aa）
片段：UNP residues 36-439
链 B
36–439（404 aa）
片段：UNP residues 36-439
链 C
36–439（404 aa）
片段：UNP residues 36-439
|
未记录 | 9QJ (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid × 3 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；NaCl (175mM), 8-10% (v/v) PEG 6000
|
分辨率 1.77 Å R-free 0.210 |
| 6HX7 Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom 提交 2018-10-16 | 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 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
26–439（414 aa）
|
突变：R180T, A25M | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；Prot 115uM in 150mM NaCl 50mM Hepes pH 8.0 mixed with hit 1-5 of the LMB screen (Molecular Dimensions): 4 M Ammonium acetate 0.1 M Bis-Tris propane 7.0 (cryo + Glycerol 20%)
|
分辨率 1.80 Å R-free 0.228 |
| 6HX7 Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom 提交 2018-10-16 | 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
26–439（414 aa）
|
突变：R180T, A25M | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；Prot 115uM in 150mM NaCl 50mM Hepes pH 8.0 mixed with hit 1-5 of the LMB screen (Molecular Dimensions): 4 M Ammonium acetate 0.1 M Bis-Tris propane 7.0 (cryo + Glycerol 20%)
|
分辨率 1.80 Å R-free 0.228 |
| 6HX7 Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom 提交 2018-10-16 | 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
26–439（414 aa）
|
突变：R180T, A25M | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；Prot 115uM in 150mM NaCl 50mM Hepes pH 8.0 mixed with hit 1-5 of the LMB screen (Molecular Dimensions): 4 M Ammonium acetate 0.1 M Bis-Tris propane 7.0 (cryo + Glycerol 20%)
|
分辨率 1.80 Å R-free 0.228 |
| 6OIA (1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase 提交 2019-04-09 | 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
36–439（404 aa）
链 B
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 GOL GLYCEROL × 2 MQ4 (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；10% PEG 6000, 200 mM NaCl, 2.5 % Glycerol
|
分辨率 1.78 Å R-free 0.189 |
| 6OIA (1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase 提交 2019-04-09 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 MQ4 (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；10% PEG 6000, 200 mM NaCl, 2.5 % Glycerol
|
分辨率 1.78 Å R-free 0.189 |
| 6V8C Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators 提交 2019-12-10 | 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
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；16.5% PEG 1000
240 mM NaCl
25% glycerol.
|
分辨率 1.90 Å R-free 0.268 |
| 6V8C Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators 提交 2019-12-10 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；16.5% PEG 1000
240 mM NaCl
25% glycerol.
|
分辨率 1.90 Å R-free 0.268 |
| 6V8C Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators 提交 2019-12-10 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；16.5% PEG 1000
240 mM NaCl
25% glycerol.
|
分辨率 1.90 Å R-free 0.268 |
| 6V8D Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators 提交 2019-12-10 | 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
36–439（404 aa）
链 B
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 O78 (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；16.5% PEG 1000
240 mM NaCl
25% glycerol
50 mM Tricine pH 7.8
|
分辨率 2.25 Å R-free 0.196 |
| 6V8D Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators 提交 2019-12-10 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 O78 (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；16.5% PEG 1000
240 mM NaCl
25% glycerol
50 mM Tricine pH 7.8
|
分辨率 2.25 Å R-free 0.196 |
| 7JX9 The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. 提交 2020-08-26 | 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
36–439（404 aa）
|
未记录 | IF1 (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid × 2 VLS N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；290 K；10% PEG 6000, 100 mM NaCl, and 10% glycerol, Tricine 100 mM, pH 7.8
|
分辨率 1.96 Å R-free 0.213 |
| 7JX9 The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. 提交 2020-08-26 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
链 C
36–439（404 aa）
|
未记录 | IF1 (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid × 2 VLS N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；290 K；10% PEG 6000, 100 mM NaCl, and 10% glycerol, Tricine 100 mM, pH 7.8
|
分辨率 1.96 Å R-free 0.213 |
| 7LK0 Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) 提交 2021-02-01 | 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
36–439（404 aa）
|
未记录 | Y3D (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；OAT was buffer exchanged into crystallization buffer (50 mM Tricine pH 7.8) supplied with 1 mM 2-ketoglutarate. Then the protein was concentrated to 6 mg/mL. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of 10 mM SS-1-148. The crystals with the best morphology and size grew in a final condition containing 10% PEG 6000, 200 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8.
|
分辨率 1.96 Å R-free 0.268 |
| 7LK0 Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) 提交 2021-02-01 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
|
未记录 | Y3D (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；OAT was buffer exchanged into crystallization buffer (50 mM Tricine pH 7.8) supplied with 1 mM 2-ketoglutarate. Then the protein was concentrated to 6 mg/mL. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of 10 mM SS-1-148. The crystals with the best morphology and size grew in a final condition containing 10% PEG 6000, 200 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8.
|
分辨率 1.96 Å R-free 0.268 |
| 7LK0 Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) 提交 2021-02-01 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
36–439（404 aa）
|
未记录 | Y3D (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；OAT was buffer exchanged into crystallization buffer (50 mM Tricine pH 7.8) supplied with 1 mM 2-ketoglutarate. Then the protein was concentrated to 6 mg/mL. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of 10 mM SS-1-148. The crystals with the best morphology and size grew in a final condition containing 10% PEG 6000, 200 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8.
|
分辨率 1.96 Å R-free 0.268 |
| 7LK1 Ornithine Aminotransferase (OAT) with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) - 1 Hour Soaking 提交 2021-02-01 | 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
36–439（404 aa）
|
未记录 | Y37 (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 10% PEG 6000, 200 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8. Once the holoenzyme crystals reached their maximum size, 2 uL of 16 mM SS-1-148 was added to the drop with crystals. The crystals were soaked for 1 h, transferred into cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 1.79 Å R-free 0.241 |
| 7LK1 Ornithine Aminotransferase (OAT) with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) - 1 Hour Soaking 提交 2021-02-01 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
链 C
36–439（404 aa）
|
未记录 | Y37 (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 10% PEG 6000, 200 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8. Once the holoenzyme crystals reached their maximum size, 2 uL of 16 mM SS-1-148 was added to the drop with crystals. The crystals were soaked for 1 h, transferred into cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 1.79 Å R-free 0.241 |
| 7LNM Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid 提交 2021-02-07 | 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 B
36–439（404 aa）
链 C
36–439（404 aa）
|
未记录 | Y7S (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The freshly prepared enzyme was buffer exchanged into 50 mM Tricine pH 7.8 and concentrated to a protein concentration of 6 mg/mL. For each hanging drop, 2 ul of protein solution was mixed with equal volume of well solution and 0.5 ul of 10 mM compound. The crystals with the best morphology and size grew in a final condition containing 12% PEG 8000, 200 mM NaCl, 10% glycerol, 50 mM Tricine pH 7.8.
|
分辨率 2.00 Å R-free 0.186 |
| 7LNM Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid 提交 2021-02-07 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 E
36–439（404 aa）
链 F
36–439（404 aa）
|
未记录 | Y7S (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The freshly prepared enzyme was buffer exchanged into 50 mM Tricine pH 7.8 and concentrated to a protein concentration of 6 mg/mL. For each hanging drop, 2 ul of protein solution was mixed with equal volume of well solution and 0.5 ul of 10 mM compound. The crystals with the best morphology and size grew in a final condition containing 12% PEG 8000, 200 mM NaCl, 10% glycerol, 50 mM Tricine pH 7.8.
|
分辨率 2.00 Å R-free 0.186 |
| 7LNM Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid 提交 2021-02-07 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 I
36–439（404 aa）
链 J
36–439（404 aa）
|
未记录 | Y7S (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The freshly prepared enzyme was buffer exchanged into 50 mM Tricine pH 7.8 and concentrated to a protein concentration of 6 mg/mL. For each hanging drop, 2 ul of protein solution was mixed with equal volume of well solution and 0.5 ul of 10 mM compound. The crystals with the best morphology and size grew in a final condition containing 12% PEG 8000, 200 mM NaCl, 10% glycerol, 50 mM Tricine pH 7.8.
|
分辨率 2.00 Å R-free 0.186 |
| 7LOM Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid 提交 2021-02-10 | 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
36–439（404 aa）
|
未记录 | THR THREONINE × 2 Y8P (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once the holoenzyme crystals reached their maximum size within five days, 1 uL of 10 mM 181 was added to the drop with crystals. Within the first three minutes of 181 addition, the hOAT crystals turned their color from yellow to transparent. The crystals were soaked for 44 minutes, transferred into cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.10 Å R-free 0.235 |
| 7LOM Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid 提交 2021-02-10 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
链 C
36–439（404 aa）
|
未记录 | THR THREONINE × 2 Y8P (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid × 1 YCD (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once the holoenzyme crystals reached their maximum size within five days, 1 uL of 10 mM 181 was added to the drop with crystals. Within the first three minutes of 181 addition, the hOAT crystals turned their color from yellow to transparent. The crystals were soaked for 44 minutes, transferred into cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.10 Å R-free 0.235 |
| 7LON Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid 提交 2021-02-10 | 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 B
36–439（404 aa）
|
未记录 | THR THREONINE × 2 7QP (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The freshly prepared enzyme was buffer exchanged into 50 mM Tricine pH 7.8 and concentrated to a protein concentration of 6 mg/mL. For each hanging drop, 2 ul of protein solution was mixed with equal volume of well solution and 0.5 ul of 10 mM compound. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, 50 mM Tricine pH 7.8.
|
分辨率 1.95 Å R-free 0.278 |
| 7LON Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid 提交 2021-02-10 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
36–439（404 aa）
|
未记录 | THR THREONINE × 2 7QP (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The freshly prepared enzyme was buffer exchanged into 50 mM Tricine pH 7.8 and concentrated to a protein concentration of 6 mg/mL. For each hanging drop, 2 ul of protein solution was mixed with equal volume of well solution and 0.5 ul of 10 mM compound. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, 50 mM Tricine pH 7.8.
|
分辨率 1.95 Å R-free 0.278 |
| 7LON Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid 提交 2021-02-10 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
36–439（404 aa）
|
未记录 | THR THREONINE × 2 7QP (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The freshly prepared enzyme was buffer exchanged into 50 mM Tricine pH 7.8 and concentrated to a protein concentration of 6 mg/mL. For each hanging drop, 2 ul of protein solution was mixed with equal volume of well solution and 0.5 ul of 10 mM compound. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, 50 mM Tricine pH 7.8.
|
分辨率 1.95 Å R-free 0.278 |
| 7T9Z Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 A
1–439（439 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Purified holo-hOAT was buffer-exchanged into 100 mM MES, 200 mM NaCl, 100 uM PLP, pH 6.0 buffer, and then concentrated to ~6 mg/mL. The crystallization was performed via the hanging drop vapor diffusion method according to previously published conditions with 50 mM Tricine pH 7.8 substituted to 50 mM MES pH 6.0 buffer. The crystals grew at room temperature within three days and reached their maximum size in a week.
|
分辨率 2.15 Å R-free 0.276 |
| 7T9Z Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 B
1–439（439 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Purified holo-hOAT was buffer-exchanged into 100 mM MES, 200 mM NaCl, 100 uM PLP, pH 6.0 buffer, and then concentrated to ~6 mg/mL. The crystallization was performed via the hanging drop vapor diffusion method according to previously published conditions with 50 mM Tricine pH 7.8 substituted to 50 mM MES pH 6.0 buffer. The crystals grew at room temperature within three days and reached their maximum size in a week.
|
分辨率 2.15 Å R-free 0.276 |
| 7T9Z Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 C
1–439（439 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Purified holo-hOAT was buffer-exchanged into 100 mM MES, 200 mM NaCl, 100 uM PLP, pH 6.0 buffer, and then concentrated to ~6 mg/mL. The crystallization was performed via the hanging drop vapor diffusion method according to previously published conditions with 50 mM Tricine pH 7.8 substituted to 50 mM MES pH 6.0 buffer. The crystals grew at room temperature within three days and reached their maximum size in a week.
|
分辨率 2.15 Å R-free 0.276 |
| 7TA0 Human Ornithine Aminotransferase (hOAT) soaked with 5-aminovaleric acid 提交 2021-12-20 | 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 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 A
1–439（439 aa）
链 B
1–439（439 aa）
|
未记录 | I3B 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid × 2 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 5-aminovaleric acid was added to the drop with crystals. The crystals were soaked for different time periods from 3 to 59 minutes. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.33 Å R-free 0.236 |
| 7TA0 Human Ornithine Aminotransferase (hOAT) soaked with 5-aminovaleric acid 提交 2021-12-20 | 构建体不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
1–439（439 aa）
|
未记录 | I3B 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid × 2 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 5-aminovaleric acid was added to the drop with crystals. The crystals were soaked for different time periods from 3 to 59 minutes. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.33 Å R-free 0.236 |
| 7TA1 Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 A
1–439（439 aa）
|
未记录 | PLZ 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 10 mM GABA was added to the drop with crystals. The crystals were soaked for different time periods from 50 minutes to 2.5 hours. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.20 Å R-free 0.268 |
| 7TA1 Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 B
1–439（439 aa）
|
未记录 | PLZ 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 10 mM GABA was added to the drop with crystals. The crystals were soaked for different time periods from 50 minutes to 2.5 hours. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.20 Å R-free 0.268 |
| 7TA1 Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 C
1–439（439 aa）
|
未记录 | PLZ 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 10 mM GABA was added to the drop with crystals. The crystals were soaked for different time periods from 50 minutes to 2.5 hours. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.20 Å R-free 0.268 |
| 7TA1 Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 D
1–439（439 aa）
|
未记录 | PLZ 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 10 mM GABA was added to the drop with crystals. The crystals were soaked for different time periods from 50 minutes to 2.5 hours. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.20 Å R-free 0.268 |
| 7TA1 Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 5 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 E
1–439（439 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 10 mM GABA was added to the drop with crystals. The crystals were soaked for different time periods from 50 minutes to 2.5 hours. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.20 Å R-free 0.268 |
| 7TA1 Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid 提交 2021-12-20 | 构建体不同 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 | Assembly 6 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric |
链 F
1–439（439 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；Once hOAT was purified, it was transferred to a 10 kDa centrifugal filter tube and concentrated to ~6 mg/mL. The holoenzyme crystals were first grown via a hanging drop vapor diffusion method. Each drop contained 2 uL of protein and 2 uL of well solution. The best crystallization condition contained 8% PEG 6000, 100 mM NaCl, 5% glycerol, and 50 mM Tricine pH 7.8. Once holoenzyme crystals reached their maximum size within seven days, 1 uL of 10 mM GABA was added to the drop with crystals. The crystals were soaked for different time periods from 50 minutes to 2.5 hours. After soaking, crystals were transferred into a cryoprotective solution (well solution supplemented with 30% glycerol), and then flash-frozen in liquid nitrogen.
|
分辨率 2.20 Å R-free 0.268 |
| 7TEV Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate 提交 2022-01-05 | 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
36–439（404 aa）
|
未记录 | I1T (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, hOAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen.
|
分辨率 1.91 Å R-free 0.269 |
| 7TEV Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate 提交 2022-01-05 | 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
链 C
36–439（404 aa）
|
未记录 | I1T (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, hOAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen.
|
分辨率 1.91 Å R-free 0.269 |
| 7TFP Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. 提交 2022-01-06 | 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
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, hOAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen.
|
分辨率 2.71 Å R-free 0.268 |
| 7TFP Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. 提交 2022-01-06 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
链 C
36–439（404 aa）
|
未记录 | PLP PYRIDOXAL-5'-PHOSPHATE × 2 I2V (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；After purification, hOAT was buffer exchanged into the crystallization buffer (50 mM Tricine pH 7.8) supplemented with 1 mM 2-ketoglutarate. The protein was concentrated to 6.5 mg/mL. Previously reported crystallization conditions were optimized using the hanging drop vapor diffusion method by varying PEG 6000 (8-12%), NaCl (100-250 mM), and glycerol (0%-10%) with 100 mM Tricine pH 7.8 being kept constant as the buffer. For each hanging drop, 2 uL of protein solution was mixed with an equal volume of well solution and 0.5 uL of ligand. The crystals with the best morphology and size grew in a final condition containing 12% PEG 6000, 200 mM NaCl, 10% glycerol, and 100 mM Tricine pH 7.8. Crystals were transferred to a cryo-protectant solution (well solution supplemented with 30% glycerol) and flash-frozen in liquid nitrogen.
|
分辨率 2.71 Å R-free 0.268 |
| 8EZ1 Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic Acid 提交 2022-10-30 | 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
36–439（404 aa）
链 B
36–439（404 aa）
|
未记录 | X8B (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid × 1 X8H (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The crystals with the best morphology and size grew in a final condition containing 10% PEG 6000, 100 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8.
|
分辨率 1.91 Å R-free 0.237 |
| 8EZ1 Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic Acid 提交 2022-10-30 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 C
36–439（404 aa）
|
未记录 | X8B (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；The crystals with the best morphology and size grew in a final condition containing 10% PEG 6000, 100 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8.
|
分辨率 1.91 Å R-free 0.237 |
| 8V9M Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. 提交 2023-12-08 | 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
36–439（404 aa）
|
未记录 | YR5 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；10% PEG 6000, 100 mM NaCl, 20% glycerol, 100 mM tricine, pH 7.8
|
分辨率 1.61 Å R-free 0.193 |
| 8V9M Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. 提交 2023-12-08 | 配体/离子不同 实验环境不同 结构质量不同 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric |
链 B
36–439（404 aa）
链 C
36–439（404 aa）
|
未记录 | YR5 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid × 2 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；10% PEG 6000, 100 mM NaCl, 20% glycerol, 100 mM tricine, pH 7.8
|
分辨率 1.61 Å R-free 0.193 |
共 26 个其他 PDB 条目、64 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 | OAT_HUMAN |
| Isoform | — |
| PDB实体 | 1 |
| 链与序列区间 | 作者链 A； PDB构建体 1–404； UniProt 36–439 作者链 B； PDB构建体 1–404； UniProt 36–439 作者链 C； PDB构建体 1–404； UniProt 36–439 作者链 D； PDB构建体 1–404； UniProt 36–439 作者链 E； PDB构建体 1–404； UniProt 36–439 作者链 F； PDB构建体 1–404； UniProt 36–439 作者链 G； PDB构建体 1–404； UniProt 36–439 作者链 H； PDB构建体 1–404； UniProt 36–439 作者链 I； PDB构建体 1–404； UniProt 36–439 |
