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7m3s

The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring

Method: X-RAY DIFFRACTION Dmax: 91.6 Å Quality: REASONABLE
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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Tryptophan synthase alpha chain

Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)

UniProt P00929

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 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 链 A； UniProt 1–268 未记录 Tryptophan synthase beta chain × 1 （P0A2K1） F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 7 CL CHLORIDE ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8 分辨率 1.55 Å R-free 0.201
2 蛋白异源复合物 异源复合物 蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白拷贝数一致 链 A； UniProt 1–268 未记录 Tryptophan synthase beta chain × 2 （P0A2K1） F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 EDO 1,2-ETHANEDIOL × 14 CL CHLORIDE ION × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8 分辨率 1.55 Å R-free 0.201

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB 相对当前条目 7M3S 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
1A50 CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE 提交 1998-02-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 FIP 5-FLUOROINDOLE PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 2.30 Å R-free 0.247
1A5A CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 提交 1998-02-12 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：D60N K POTASSIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 1.90 Å R-free 0.298
1A5B CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHA D60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 提交 1998-02-12 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：D60N IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 K POTASSIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 2.00 Å R-free 0.283
1A5S CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE 提交 1998-02-17 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 FIP 5-FLUOROINDOLE PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 SER SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 2.30 Å R-free 0.247
1BEU TRP SYNTHASE (D60N-IPP-SER) WITH K+ 提交 1998-05-18 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：CHAIN A, D60N IPL INDOLE-3-PROPANOL PHOSPHATE × 2 K POTASSIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 1.90 Å R-free 0.278
1BKS TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) FROM SALMONELLA TYPHIMURIUM 提交 1998-07-10 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 2.20 Å
1C29 CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID 提交 1999-07-23 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa） 片段：ALPHA CHAIN
未记录 HE1 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.30 Å R-free 0.275
1C8V CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID 提交 1999-07-30 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 HE1 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75mM spermine, 50mM sodium bicine, 1mM EDTA, 5mM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.20 Å R-free 0.268
1C9D CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID 提交 1999-08-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 HF1 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.30 Å R-free 0.269
1CW2 CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID 提交 1999-08-25 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 HSP 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.00 Å R-free 0.250
1CX9 CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID 提交 1999-08-29 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NHP 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.30 Å R-free 0.276
1FUY CRYSTAL STRUCTURE OF BETAA169L/BETAC170W DOUBLE MUTANT OF TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUORO-INDOLE-PROPANOL PHOSPHATE 提交 2000-09-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 FIP 5-FLUOROINDOLE PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；ENZYME SOLUTION: 10 MG/ML TRPS IN 50 MM BICINE PH 7.8, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 20 MUM PYRIDOXAL-5'-PHOSPHATE RESERVOI SOLUTION: 50 MM BICINE PH 7.8, 5 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.1 MM PYRIDOXAL-5'-PHOSPHATE, 2 MM SPERMINE, 8-12 % PEG 8000 CRYSTALLIZATION DROP CONSISTED AN INITIAL FIP CONCENTRATION OF 7 MM, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.25 Å R-free 0.224
1K3U CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID 提交 2001-10-04 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 IAD N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.70 Å R-free 0.188
1K7E CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID 提交 2001-10-19 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 IAG N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；PEG 8000, pH 7.80
分辨率 2.30 Å R-free 0.244
1K7F CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]VALINE ACID 提交 2001-10-19 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 IAV N-[1H-INDOL-3-YL-ACETYL]VALINE ACID × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 8000, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.251
1K7X CRYSTAL STRUCTURE OF THE BETA-SER178PRO MUTANT OF TRYPTOPHAN SYNTHASE 提交 2001-10-22 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.238
1K8X Crystal Structure Of AlphaT183V Mutant Of Tryptophan Synthase From Salmonella Typhimurium 提交 2001-10-26 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：T183V NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.90 Å R-free 0.232
1K8Y CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH D,L-ALPHA-GLYCEROL-3-PHOSPHATE 提交 2001-10-26 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 13P 1,3-DIHYDROXYACETONEPHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.50 Å R-free 0.209
1K8Z CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID 提交 2001-10-26 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 IAG N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.265
1KFB CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH Indole Glycerol Phosphate 提交 2001-11-20 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：T183V IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.90 Å R-free 0.210
1KFC CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate 提交 2001-11-20 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：T183V IPL INDOLE-3-PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, SPERMINE, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.50 Å R-free 0.223
1KFE CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH L-Ser Bound To The Beta Site 提交 2001-11-20 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：T183V NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.75 Å R-free 0.225
1KFJ CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH L-SERINE 提交 2001-11-21 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；PEG 8000, pH 7.80
分辨率 1.80 Å R-free 0.211
1KFK Crystal structure of Tryptophan Synthase From Salmonella Typhimurium 提交 2001-11-21 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 2.40 Å R-free 0.225
1QOP CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH INDOLE PROPANOL PHOSPHATE 提交 1999-11-15 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 IPL INDOLE-3-PROPANOL PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；ENZYME SOLUTION: 10 MG/ML TRPS IN 50 MM BICINE PH 7.8, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 20 MUM PYRIDOXAL-5'-PHOSPHATE. RESERVOIR SOLUTION: 50 MM BICINE PH 7.8, 5 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.1 MM PYRIDOXAL-5'-PHOSPHATE, 2 MM SPERMINE, 8-12 % PEG 8000. HANGING DROP GEOMETRY, CRYSTALLIZATION DROP CONSISTED AN INITIAL INDOLE PROPANOLE PHOSPHATE (IPL) CONCENTRATION OF 7 MM
分辨率 1.40 Å R-free 0.177
1QOQ CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH INDOLE GLYCEROL PHOSPHATE 提交 1999-11-15 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；ENZYME SOLUTION: 10 MG/ML TRPS IN 50 MM BICINE PH 7.8, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 20 MUM PYRIDOXAL-5'-PHOSPHATE, RESERVOIR SOLUTION: 50 MM BICINE PH 7.8, 5 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.1 MM PYRIDOXAL-5'-PHOSPHATE, 2 MM SPERMINE, 8-12 % PEG 8000, HANGING DROP GEOMETRY IN CONTRAST TO WHAT HAS BEEN IMPLICATED IN THE PUBLICATION ASSOCIATED WITH THIS PDB-ENTRY (WEYAND & SCHLICHTING, BIOCHEMISTRY 38: 16469-16480, (1999)), THE PH OF THE COMPLEX WAS NOT NEUTRAL BUT 5.0-5.2. THEREFORE, THE STRUCTURE WAS RE-DETERMINED AT PH 7.0 (PDB CODE 2RHG) AND ALSO AT PH 9.0 (PDB CODE 2RH9). THIS DATA SHOWS THAT CLOSURE OF LOOP ALPHA-L6 IS CAUSED BY THE LOW PH AND NOT BY BINDING OF IGP
分辨率 1.80 Å R-free 0.210
1TJP Crystal Structure Of Wild-Type Tryptophan Synthase Complexed With 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate 提交 2004-06-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 HPF 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；BICINE, EDTA, DITHIOERYTHRITOL, PYRIDOXAL-5'-PHOSPHATE, SPERMINE, PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.50 Å R-free 0.193
1TTP TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE 提交 1995-10-11 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 CS CESIUM ION × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.30 Å R-free 0.302
1TTQ TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE 提交 1995-10-11 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 K POTASSIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION mmCIF 未提供已读取条件 分辨率 2.00 Å R-free 0.285
1UBS TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) WITH A MUTATION OF LYS 87->THR IN THE B SUBUNIT AND IN THE PRESENCE OF LIGAND L-SERINE 提交 1995-12-14 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：CHAIN B, K87T NA SODIUM ION × 2 SER SERINE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 1.90 Å
1WBJ wildtype tryptophan synthase complexed with glycerol phosphate 提交 2004-11-01 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 G3P SN-GLYCEROL-3-PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；10 MG/ML PROTEIN, RESERVOIR:50 MM TRIS-BIS-PROPANE PH 7.8, 100 MM NACL, 12% PEG8000, 50 MM GLYCEROL PHOSPHATE, 1.5 MM SPERMIDINE, 20 DEG, HANGING DROP IN THE DARK
分辨率 1.50 Å R-free 0.202
2CLE Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 complex 提交 2006-04-27 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.50 Å R-free 0.210
2CLF Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - highF6 complex 提交 2006-04-27 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.196
2CLH Tryptophan Synthase in complex with (naphthalene-2'-sulfonyl)-2-amino- 1-ethylphosphate (F19) 提交 2006-04-27 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 F19 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.220
2CLI Tryptophan Synthase in complex with N-(4'- trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9) 提交 2006-04-27 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.206
2CLK Tryptophan Synthase in complex with D-glyceraldehyde 3-phosphate (G3P) 提交 2006-04-27 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 G3H GLYCERALDEHYDE-3-PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.50 Å R-free 0.202
2CLL Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9) 提交 2006-04-28 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.60 Å R-free 0.245
2CLM Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) 提交 2006-04-28 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.51 Å R-free 0.239
2CLO Tryptophan Synthase (external aldimine state) in complex with (naphthalene-2'-sulfonyl)-2-amino-1-ethylphosphate (F19) 提交 2006-04-28 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F19 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 1.50 Å R-free 0.249
2J9X Tryptophan Synthase in complex with GP, alpha-D,L-glycerol-phosphate, Cs, pH6.5 - alpha aminoacrylate form - (GP)E(A-A) 提交 2006-11-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 G3P SN-GLYCEROL-3-PHOSPHATE × 2 P1T 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID × 2 CS CESIUM ION × 6 DMS DIMETHYL SULFOXIDE × 6 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.90 Å R-free 0.240
2J9Y Tryptophan Synthase Q114N mutant in complex with Compound II 提交 2006-11-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 FOO (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 1.80 Å R-free 0.263
2J9Z Tryptophan Synthase T110 mutant complex 提交 2006-11-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 1.80 Å R-free 0.218
2RH9 Tryptophan synthase complexed with IGP, internal aldimine, pH 9.0 提交 2007-10-08 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa） 片段：tryptophan synthase, alpha chain
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；Protein: 50 mM Bicine pH 7.8, 10 mM Na-EDTA, 1 mM DTE, 20 uM PLP. Reservoir: 50 mM Bicine pH 7.8, 5 mM DTE, 5 mM Na-EDTA, 0.1 M PLP, 2 mM Spermine, 2 mM NaN3, 8-12% PEG 8000. Crystal soaked in 15% PEG 8000, 20% Glycerol, 23 mM IGP, pH controlled at pH 9.0 before flash-cooling, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.70 Å R-free 0.200
2RHG Tryptophan synthase complexed with IGP, pH 7.0, internal aldimine 提交 2007-10-09 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Protein: 50 mM Bicine pH 7.8, 10 mM Na-EDTA, 1 mM DTE, 20 uM PLP. Reservoir: 50 mM Bicine pH 7.8, 5 mM DTE, 5 mM Na-EDTA, 0.1 M PLP, 2 mM spermine, 2 mM NaN3, 8-12% PEG8000. Crystal soaked in 15% PEG8000, 20% glycerol, 23 mM IGP, pH controlled at pH 9.0 before flash-cooling, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.0
分辨率 2.00 Å R-free 0.239
2TRS CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES 提交 1997-01-07 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：CHAIN B, K87T IPL INDOLE-3-PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 2.04 Å
2TSY CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES 提交 1997-01-03 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：CHAIN B, K87T G3P SN-GLYCEROL-3-PHOSPHATE × 2 NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 2.50 Å
2TYS CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES 提交 1997-01-08 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
突变：CHAIN B, K87T NA SODIUM ION × 2 PLT [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 1.90 Å
2WSY CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE 提交 1998-02-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 3.05 Å R-free 0.299
3CEP Structure of a tryptophan synthase quinonoid intermediate 提交 2008-02-29 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 G3P SN-GLYCEROL-3-PHOSPHATE × 2 IDM INDOLINE × 4 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 MH6 3-hydroxy-2-iminopropanoic acid × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；50mM bicine (pH 7.8), 1mM EDTA, 5mM dithioerythritol, 0.02mM pyridoxal phosphate solution, 2mM spermine, and 10% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.10 Å R-free 0.238
3PR2 Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site 提交 2010-11-29 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 2–267（266 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 7MN (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium × 2 CS CESIUM ION × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；50 MM BICINE, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.02 MM PYRIDOXAL PHOSPHATE SOLUTION, 2 MM SPERMINE, AND 10% PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.85 Å R-free 0.227
4HN4 Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site 提交 2012-10-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 PEG DI(HYDROXYETHYL)ETHER × 6 BCN BICINE × 6 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.64 Å R-free 0.200
4HPJ Crystal structure of Tryptophan Synthase at 1.45 A resolution in complex with 2-aminophenol quinonoid in the beta site and the F9 inhibitor in the alpha site 提交 2012-10-23 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CL CHLORIDE ION × 14 1D0 (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid × 2 BCN BICINE × 2 PEG DI(HYDROXYETHYL)ETHER × 8 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.45 Å R-free 0.189
4HPX Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site 提交 2012-10-24 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 5 BZI BENZIMIDAZOLE × 3 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 BCN BICINE × 3 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.65 Å R-free 0.190
4HPX Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site 提交 2012-10-24 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 10 BZI BENZIMIDAZOLE × 6 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 BCN BICINE × 6 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.65 Å R-free 0.190
4HT3 The crystal structure of Salmonella typhimurium Tryptophan Synthase at 1.30A complexed with N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE (F9) inhibitor in the alpha site, internal aldimine 提交 2012-10-31 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 BCN BICINE × 8 CL CHLORIDE ION × 14 CS CESIUM ION × 6 PGE TRIETHYLENE GLYCOL × 6 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 2 EDO 1,2-ETHANEDIOL × 20 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.30 Å R-free 0.169
4KKX Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site 提交 2013-05-06 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 NA SODIUM ION × 6 EDO 1,2-ETHANEDIOL × 20 PEG DI(HYDROXYETHYL)ETHER × 4 AQ3 N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-D-alanine × 2 PGE TRIETHYLENE GLYCOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10-14% PEG 8000, 2 mM spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.77 Å R-free 0.196
4WX2 Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site 提交 2014-11-13 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, pH 7.8; 10% PEG 8,000; 2 mM spermine
分辨率 1.75 Å R-free 0.189
4XUG Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site. 提交 2015-01-25 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NH4 AMMONIUM ION × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-NH4OH, 7-12% PEG 8,000, 2 mM Spermine, pH 7.8, 100mM NH4Cl
分辨率 1.65 Å R-free 0.194
4Y6G Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and beta-site. 提交 2015-02-13 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM spermine, pH 7.8, 100mM NaCl
分辨率 1.65 Å R-free 0.179
4ZQC Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution. 提交 2015-05-08 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 6 DMS DIMETHYL SULFOXIDE × 24 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, containing 10-14% PEG 8,000, and 2 mM spermine
分辨率 1.54 Å R-free 0.187
5BW6 Tryptophan Synthase from Salmonella typhimurium in complex with a single molecule of 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate (F6) in the alpha-site. 提交 2015-06-06 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50mM Bicine-NaOH, pH 7.8, containing 50mM NaCl, 2mM spermine, and 10% PEG 8000
分辨率 1.82 Å R-free 0.214
5CGQ Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with F9 ligand in the alpha-site and the product L-Tryptophan in the beta-site. 提交 2015-07-09 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 TRP TRYPTOPHAN × 2 BCN BICINE × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, pH 7.6, 10% PEG 8,000, 100 mM CsCl2, 1 mM spermine
分辨率 1.18 Å R-free 0.161
6C73 Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site 提交 2018-01-19 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 40 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 10 CS CESIUM ION × 8 PLP PYRIDOXAL-5'-PHOSPHATE × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；100 mM Bicine-CsOH, pH 7.8, 5-10% PEG8000, 1 mM DTT, 1 mM EDTA, 2 mM F9F
分辨率 1.65 Å R-free 0.183
6D0V Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site 提交 2018-04-11 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 32 CL CHLORIDE ION × 10 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 16 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 CS CESIUM ION × 6 SER SERINE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM bicine-CsOH, 8-10% PEG8000, 2-6 mM spermine, 1 mM DTT
分辨率 1.64 Å R-free 0.175
6DZ4 Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site 提交 2018-07-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 CL CHLORIDE ION × 16 DMS DIMETHYL SULFOXIDE × 24 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；297 K；50mM Bicine-NaOH, pH 7.8, containing 9% PEG3350, 50mM NaCl, 2mM spermine
分辨率 1.45 Å R-free 0.186
6DZO Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site 提交 2018-07-05 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 DMS DIMETHYL SULFOXIDE × 18 CL CHLORIDE ION × 26 CS CESIUM ION × 4 EDO 1,2-ETHANEDIOL × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；297 K；50mM Bicine-CsOH pH 7.8, 50mM Cesium chloride, 9% PEG 8,000, 2mM spermine
分辨率 1.64 Å R-free 0.196
6OSO The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 Angstrom resolution 提交 2019-05-01 聚集状态不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 SO4 SULFATE ION × 16 CL CHLORIDE ION × 12 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；1.5-2.0 M ammonium sulfate
分辨率 1.75 Å R-free 0.204
6OUY The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.60 Angstrom resolution 提交 2019-05-06 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 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 6 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；1.5-2.0 M ammonium sulfate
分辨率 1.60 Å R-free 0.206
6VNT Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution 提交 2020-01-29 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 10 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 NA SODIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.25 Å R-free 0.181
6WDU The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. 提交 2020-04-01 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 14 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8, 50mM NaCl
分辨率 1.40 Å R-free 0.195
6X0C Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and aminoacrylate and benzimidazole at the enzyme beta site 提交 2020-05-15 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 BZI BENZIMIDAZOLE × 3 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 3 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.45 Å R-free 0.202
6XE3 Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site. 提交 2020-06-11 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 14 CS CESIUM ION × 4 CL CHLORIDE ION × 15 1D0 (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.236
6XSY The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine (KOU) at the beta-site 提交 2020-07-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 20 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 9 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 7% PEG 8,000, 6 mM Spermine
分辨率 1.55 Å R-free 0.179
7JHW The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site and Cesium ion at the metal coordination site 提交 2020-07-21 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 DMS DIMETHYL SULFOXIDE × 40 CL CHLORIDE ION × 22 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 2 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 8.0
分辨率 1.65 Å R-free 0.217
7JLL The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site 提交 2020-07-29 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 48 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CS CESIUM ION × 6 TRP TRYPTOPHAN × 4 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 46 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.215
7JMQ The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 66 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CS CESIUM ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 6 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.184
7JMQ The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 33 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 CS CESIUM ION × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 6 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.184
7JQW The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-11 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 18 2AF 2-AMINOPHENOL × 2 CL CHLORIDE ION × 12 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 EDO 1,2-ETHANEDIOL × 1 SER SERINE × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 8.0
分辨率 1.70 Å R-free 0.230
7JTT The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 DMS DIMETHYL SULFOXIDE × 24 CL CHLORIDE ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 7 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
分辨率 1.64 Å R-free 0.218
7K0B The internal aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with cesium ion at the metal coordination site. A random beta-P270L mutation was inserted during PCR step 提交 2020-09-04 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 8 SER SERINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 17 CL CHLORIDE ION × 7 PLP PYRIDOXAL-5'-PHOSPHATE × 1 GOL GLYCEROL × 1 BCN BICINE × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine
分辨率 1.57 Å R-free 0.236
7K5A The external aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A in complex with cesium ion at the metal coordination site. 提交 2020-09-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 PEG DI(HYDROXYETHYL)ETHER × 1 SER SERINE × 1 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 4 EDO 1,2-ETHANEDIOL × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 3 mM Spermine, pH 7.8
分辨率 1.50 Å R-free 0.220
7KA1 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site 提交 2020-09-29 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 16 CL CHLORIDE ION × 5 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 8 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 CS CESIUM ION × 2 SER SERINE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.185
7KBN 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site 提交 2020-10-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 19 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 7 CL CHLORIDE ION × 7 1D0 (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 3 2AF 2-AMINOPHENOL × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.196
7KH6 1.45 Angstrom resolution internal aldimine crystal structure of the beta-Q114A mutant of TryptophanSynthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site 提交 2020-10-20 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 13 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 1 CS CESIUM ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine
分辨率 1.45 Å R-free 0.201
7KI7 The external aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.75 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site 提交 2020-10-23 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 CL CHLORIDE ION × 22 CS CESIUM ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 EDO 1,2-ETHANEDIOL × 6 DMS DIMETHYL SULFOXIDE × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 8.0
分辨率 1.75 Å R-free 0.236
7KMC The internal aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.50 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-11-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 10 CL CHLORIDE ION × 7 EDO 1,2-ETHANEDIOL × 9 PLP PYRIDOXAL-5'-PHOSPHATE × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.50 Å R-free 0.196
7KQ9 The aminoacrylate form of the beta-Q114A mutant Tryptophan Synthase at 1.50 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-11-13 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 CL CHLORIDE ION × 5 CS CESIUM ION × 3 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 7 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 SER SERINE × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.50 Å R-free 0.217
7KQF The internal aldimine form of the wild-type Tryptophan Synthase from Salmonella in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.47 Angstrom resolution 提交 2020-11-15 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 6 DMS DIMETHYL SULFOXIDE × 1 CS CESIUM ION × 4 CL CHLORIDE ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.47 Å R-free 0.159
7KU9 The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site, two molecules of F6F inhibitor at the enzyme alpha-site and another F6F molecule at the enzyme beta-site at 1.40 Angstrom resolution 提交 2020-11-24 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 3 DMS DIMETHYL SULFOXIDE × 24 EDO 1,2-ETHANEDIOL × 7 CL CHLORIDE ION × 3 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 3 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.40 Å R-free 0.177
7L1H The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.50 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site 提交 2020-12-14 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 8 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 10 CL CHLORIDE ION × 12 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 BCN BICINE × 6 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.50 Å R-free 0.185
7L47 The internal aldimine form of the beta-K167T mutant Tryptophan Synthase from Salmonella at 1.55 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-12-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 28 EDO 1,2-ETHANEDIOL × 12 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 CL CHLORIDE ION × 22 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.55 Å R-free 0.212
7L4D The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with cesium ion at the metal coordination site at 1.60 Angstrom resolution 提交 2020-12-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 20 DMS DIMETHYL SULFOXIDE × 50 GOL GLYCEROL × 2 CL CHLORIDE ION × 14 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.195
7L5H The external aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase at 1.80 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-12-22 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 4 CS CESIUM ION × 2 CL CHLORIDE ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.80 Å R-free 0.250
7LGX The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution 提交 2021-01-21 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 10 CL CHLORIDE ION × 8 BZI BENZIMIDAZOLE × 4 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 DMS DIMETHYL SULFOXIDE × 4 PEG DI(HYDROXYETHYL)ETHER × 2 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 6 mM spermine, pH 7.6
分辨率 1.80 Å R-free 0.237
7LPF The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution 提交 2021-02-11 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.10 Å R-free 0.199
7LT4 The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site 提交 2021-02-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 18 CL CHLORIDE ION × 16 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 12 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 CS CESIUM ION × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.80 Å R-free 0.242
7LTP The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution 提交 2021-02-19 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 CS CESIUM ION × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 1 BCN BICINE × 1 TRP TRYPTOPHAN × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.47 Å R-free 0.167
7LUT The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution 提交 2021-02-23 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 DMS DIMETHYL SULFOXIDE × 8 EDO 1,2-ETHANEDIOL × 3 CS CESIUM ION × 6 CL CHLORIDE ION × 5 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 TRP TRYPTOPHAN × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.217
7LV5 The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution 提交 2021-02-23 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 5 CS CESIUM ION × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 1 BCN BICINE × 1 HIS HISTIDINE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, 50mM L-Histidine, pH 7.8
分辨率 1.60 Å R-free 0.179
7LVX The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution 提交 2021-02-26 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 8 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 1 DMS DIMETHYL SULFOXIDE × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.189
7LX1 The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution 提交 2021-03-02 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 32 CL CHLORIDE ION × 12 PEG DI(HYDROXYETHYL)ETHER × 2 CS CESIUM ION × 10 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.61 Å R-free 0.234
7LY8 The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2021-03-06 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 3 CL CHLORIDE ION × 5 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.194
7M2L The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. Two of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2021-03-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 5 PGE TRIETHYLENE GLYCOL × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.202
7ME8 The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the beta-site, sodium ion at the metal coordination site and dual beta-Q114 rotamer conformation at 1.60 Angstrom resolution 提交 2021-04-06 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 EDO 1,2-ETHANEDIOL × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.246
8B03 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 PLP PYRIDOXAL-5'-PHOSPHATE × 2 CS CESIUM ION × 2 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.22 Å R-free 0.233
8B05 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 CS CESIUM ION × 1 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 1 IND INDOLE × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.10 Å R-free 0.227
8B06 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 PLP PYRIDOXAL-5'-PHOSPHATE × 1 CS CESIUM ION × 1 SER SERINE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.49 Å R-free 0.266
8B08 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 G3P SN-GLYCEROL-3-PHOSPHATE × 1 CS CESIUM ION × 1 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.50 Å R-free 0.242
8EYP Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal 提交 2022-10-28 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 1 实验方法未声明
X-ray结晶条件 LIQUID DIFFUSION；pH 7.8；295 K；50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6-8% PEG 8000
分辨率未提供
8EYS X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine at pH 5.0 提交 2022-10-28 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6% PEG 8000; acidified with sodium acetate pH 5.0
分辨率 2.20 Å R-free 0.197
8EZC X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine 提交 2022-10-31 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 A 1–268（268 aa）
未记录 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 LIQUID DIFFUSION；pH 7.8；295 K；50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6-8% PEG 8000
分辨率 1.60 Å R-free 0.203
8RSX TRYPTOPHAN SYNTHASE measured via serial crystallography from a silicon HARE-chip 提交 2024-01-25 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 CS CESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloirde
分辨率 2.00 Å R-free 0.220
8RSY TRYPTOPHAN SYNTHASE measured via serial crystallography from a kapton HARE-chip (50 micron) 提交 2024-01-25 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 CS CESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloride
分辨率 2.11 Å R-free 0.221
8RSZ TRYPTOPHAN SYNTHASE measured via serial crystallography from a kapton HARE-chip (125 micron) 提交 2024-01-25 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 A 1–268（268 aa）
未记录 CS CESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloride
分辨率 2.20 Å R-free 0.232

共 112 个其他 PDB 条目、114 个 assembly。 打开独立比较页并筛选聚集状态

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UniProt名称 TRPA_SALTY
Isoform —
PDB实体 1
链与序列区间 作者链 A； PDB构建体 1–268； UniProt 1–268

Tryptophan synthase beta chain

Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)

UniProt P0A2K1

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 蛋白异源复合物 异源复合物 蛋白 × 2 PDB 声明：dimeric（2） 与蛋白拷贝数一致 链 B； UniProt 1–397 未记录 Tryptophan synthase alpha chain × 1 （P00929） F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 7 CL CHLORIDE ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8 分辨率 1.55 Å R-free 0.201
2 蛋白异源复合物 异源复合物 蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白拷贝数一致 链 B； UniProt 1–397 未记录 Tryptophan synthase alpha chain × 2 （P00929） F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 EDO 1,2-ETHANEDIOL × 14 CL CHLORIDE ION × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8 分辨率 1.55 Å R-free 0.201

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB 相对当前条目 7M3S 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
1A50 CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE 提交 1998-02-18 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 FIP 5-FLUOROINDOLE PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 2.30 Å R-free 0.247
1A5A CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 提交 1998-02-12 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 K POTASSIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 1.90 Å R-free 0.298
1A5B CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHA D60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 提交 1998-02-12 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 K POTASSIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 2.00 Å R-free 0.283
1BEU TRP SYNTHASE (D60N-IPP-SER) WITH K+ 提交 1998-05-18 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：CHAIN A, D60N IPL INDOLE-3-PROPANOL PHOSPHATE × 2 K POTASSIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 1.90 Å R-free 0.278
1BKS TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) FROM SALMONELLA TYPHIMURIUM 提交 1998-07-10 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 2.20 Å
1C29 CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID 提交 1999-07-23 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa） 片段：BETA CHAIN
未记录 HE1 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.30 Å R-free 0.275
1C8V CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID 提交 1999-07-30 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 HE1 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75mM spermine, 50mM sodium bicine, 1mM EDTA, 5mM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.20 Å R-free 0.268
1C9D CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID 提交 1999-08-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 HF1 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.30 Å R-free 0.269
1CW2 CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID 提交 1999-08-25 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 HSP 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.00 Å R-free 0.250
1CX9 CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID 提交 1999-08-29 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 NHP 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；12% PEG 4000, 0.75MM SPERMINE, 50MM SODIUM BICINE, 1MM EDTA, 5MM DTT, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
分辨率 2.30 Å R-free 0.276
1FUY CRYSTAL STRUCTURE OF BETAA169L/BETAC170W DOUBLE MUTANT OF TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUORO-INDOLE-PROPANOL PHOSPHATE 提交 2000-09-18 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：R34S, A169L, C170W FIP 5-FLUOROINDOLE PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；ENZYME SOLUTION: 10 MG/ML TRPS IN 50 MM BICINE PH 7.8, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 20 MUM PYRIDOXAL-5'-PHOSPHATE RESERVOI SOLUTION: 50 MM BICINE PH 7.8, 5 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.1 MM PYRIDOXAL-5'-PHOSPHATE, 2 MM SPERMINE, 8-12 % PEG 8000 CRYSTALLIZATION DROP CONSISTED AN INITIAL FIP CONCENTRATION OF 7 MM, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.25 Å R-free 0.224
1K3U CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID 提交 2001-10-04 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 IAD N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.70 Å R-free 0.188
1K7E CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID 提交 2001-10-19 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 IAG N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；PEG 8000, pH 7.80
分辨率 2.30 Å R-free 0.244
1K7F CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]VALINE ACID 提交 2001-10-19 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 IAV N-[1H-INDOL-3-YL-ACETYL]VALINE ACID × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 8000, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.90 Å R-free 0.251
1K7X CRYSTAL STRUCTURE OF THE BETA-SER178PRO MUTANT OF TRYPTOPHAN SYNTHASE 提交 2001-10-22 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：S178P NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.238
1K8X Crystal Structure Of AlphaT183V Mutant Of Tryptophan Synthase From Salmonella Typhimurium 提交 2001-10-26 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.90 Å R-free 0.232
1K8Y CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH D,L-ALPHA-GLYCEROL-3-PHOSPHATE 提交 2001-10-26 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：S178P 13P 1,3-DIHYDROXYACETONEPHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.50 Å R-free 0.209
1K8Z CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID 提交 2001-10-26 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：S178P IAG N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.265
1KFB CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH Indole Glycerol Phosphate 提交 2001-11-20 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.90 Å R-free 0.210
1KFC CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate 提交 2001-11-20 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 IPL INDOLE-3-PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, SPERMINE, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.50 Å R-free 0.223
1KFE CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH L-Ser Bound To The Beta Site 提交 2001-11-20 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 2–395（394 aa）
未记录 NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 1.75 Å R-free 0.225
1KFJ CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH L-SERINE 提交 2001-11-21 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；PEG 8000, pH 7.80
分辨率 1.80 Å R-free 0.211
1KFK Crystal structure of Tryptophan Synthase From Salmonella Typhimurium 提交 2001-11-21 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
分辨率 2.40 Å R-free 0.225
1QOQ CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH INDOLE GLYCEROL PHOSPHATE 提交 1999-11-15 构建体不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；ENZYME SOLUTION: 10 MG/ML TRPS IN 50 MM BICINE PH 7.8, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 20 MUM PYRIDOXAL-5'-PHOSPHATE, RESERVOIR SOLUTION: 50 MM BICINE PH 7.8, 5 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.1 MM PYRIDOXAL-5'-PHOSPHATE, 2 MM SPERMINE, 8-12 % PEG 8000, HANGING DROP GEOMETRY IN CONTRAST TO WHAT HAS BEEN IMPLICATED IN THE PUBLICATION ASSOCIATED WITH THIS PDB-ENTRY (WEYAND & SCHLICHTING, BIOCHEMISTRY 38: 16469-16480, (1999)), THE PH OF THE COMPLEX WAS NOT NEUTRAL BUT 5.0-5.2. THEREFORE, THE STRUCTURE WAS RE-DETERMINED AT PH 7.0 (PDB CODE 2RHG) AND ALSO AT PH 9.0 (PDB CODE 2RH9). THIS DATA SHOWS THAT CLOSURE OF LOOP ALPHA-L6 IS CAUSED BY THE LOW PH AND NOT BY BINDING OF IGP
分辨率 1.80 Å R-free 0.210
2CLE Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 complex 提交 2006-04-27 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 NA SODIUM ION × 2 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.50 Å R-free 0.210
2CLF Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - highF6 complex 提交 2006-04-27 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.196
2CLH Tryptophan Synthase in complex with (naphthalene-2'-sulfonyl)-2-amino- 1-ethylphosphate (F19) 提交 2006-04-27 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 2–397（396 aa）
未记录 NA SODIUM ION × 2 F19 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.220
2CLI Tryptophan Synthase in complex with N-(4'- trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9) 提交 2006-04-27 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 NA SODIUM ION × 2 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.70 Å R-free 0.206
2CLK Tryptophan Synthase in complex with D-glyceraldehyde 3-phosphate (G3P) 提交 2006-04-27 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 G3H GLYCERALDEHYDE-3-PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.50 Å R-free 0.202
2CLL Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9) 提交 2006-04-28 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.60 Å R-free 0.245
2CLM Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) 提交 2006-04-28 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.51 Å R-free 0.239
2CLO Tryptophan Synthase (external aldimine state) in complex with (naphthalene-2'-sulfonyl)-2-amino-1-ethylphosphate (F19) 提交 2006-04-28 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 F19 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 1.50 Å R-free 0.249
2J9X Tryptophan Synthase in complex with GP, alpha-D,L-glycerol-phosphate, Cs, pH6.5 - alpha aminoacrylate form - (GP)E(A-A) 提交 2006-11-16 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 G3P SN-GLYCEROL-3-PHOSPHATE × 2 P1T 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID × 2 CS CESIUM ION × 6 DMS DIMETHYL SULFOXIDE × 6 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.80
分辨率 1.90 Å R-free 0.240
2J9Y Tryptophan Synthase Q114N mutant in complex with Compound II 提交 2006-11-16 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：YES FOO (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 1.80 Å R-free 0.263
2J9Z Tryptophan Synthase T110 mutant complex 提交 2006-11-16 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：YES PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 1.80 Å R-free 0.218
2RH9 Tryptophan synthase complexed with IGP, internal aldimine, pH 9.0 提交 2007-10-08 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa） 片段：tryptophan synthase, beta chain
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；Protein: 50 mM Bicine pH 7.8, 10 mM Na-EDTA, 1 mM DTE, 20 uM PLP. Reservoir: 50 mM Bicine pH 7.8, 5 mM DTE, 5 mM Na-EDTA, 0.1 M PLP, 2 mM Spermine, 2 mM NaN3, 8-12% PEG 8000. Crystal soaked in 15% PEG 8000, 20% Glycerol, 23 mM IGP, pH controlled at pH 9.0 before flash-cooling, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.70 Å R-free 0.200
2RHG Tryptophan synthase complexed with IGP, pH 7.0, internal aldimine 提交 2007-10-09 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Protein: 50 mM Bicine pH 7.8, 10 mM Na-EDTA, 1 mM DTE, 20 uM PLP. Reservoir: 50 mM Bicine pH 7.8, 5 mM DTE, 5 mM Na-EDTA, 0.1 M PLP, 2 mM spermine, 2 mM NaN3, 8-12% PEG8000. Crystal soaked in 15% PEG8000, 20% glycerol, 23 mM IGP, pH controlled at pH 9.0 before flash-cooling, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.0
分辨率 2.00 Å R-free 0.239
2TRS CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES 提交 1997-01-07 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：CHAIN B, K87T IPL INDOLE-3-PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 2.04 Å
2TSY CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES 提交 1997-01-03 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：CHAIN B, K87T G3P SN-GLYCEROL-3-PHOSPHATE × 2 NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 2.50 Å
2TYS CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES 提交 1997-01-08 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
突变：CHAIN B, K87T NA SODIUM ION × 2 PLT [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
分辨率 1.90 Å
2WSY CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE 提交 1998-02-18 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–396（396 aa）
未记录 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 pH 7.8；pH 7.8
分辨率 3.05 Å R-free 0.299
3CEP Structure of a tryptophan synthase quinonoid intermediate 提交 2008-02-29 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 2–397（396 aa）
未记录 G3P SN-GLYCEROL-3-PHOSPHATE × 2 IDM INDOLINE × 4 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 MH6 3-hydroxy-2-iminopropanoic acid × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；50mM bicine (pH 7.8), 1mM EDTA, 5mM dithioerythritol, 0.02mM pyridoxal phosphate solution, 2mM spermine, and 10% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 2.10 Å R-free 0.238
3PR2 Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site 提交 2010-11-29 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 3–393（391 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 7MN (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium × 2 CS CESIUM ION × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；50 MM BICINE, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.02 MM PYRIDOXAL PHOSPHATE SOLUTION, 2 MM SPERMINE, AND 10% PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
分辨率 1.85 Å R-free 0.227
4HN4 Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site 提交 2012-10-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 PEG DI(HYDROXYETHYL)ETHER × 6 BCN BICINE × 6 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.64 Å R-free 0.200
4HPJ Crystal structure of Tryptophan Synthase at 1.45 A resolution in complex with 2-aminophenol quinonoid in the beta site and the F9 inhibitor in the alpha site 提交 2012-10-23 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CL CHLORIDE ION × 14 1D0 (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid × 2 BCN BICINE × 2 PEG DI(HYDROXYETHYL)ETHER × 8 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.45 Å R-free 0.189
4HPX Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site 提交 2012-10-24 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 5 BZI BENZIMIDAZOLE × 3 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 BCN BICINE × 3 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.65 Å R-free 0.190
4HPX Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site 提交 2012-10-24 配体/离子不同 实验环境不同 结构质量不同 Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 10 BZI BENZIMIDAZOLE × 6 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 BCN BICINE × 6 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.65 Å R-free 0.190
4HT3 The crystal structure of Salmonella typhimurium Tryptophan Synthase at 1.30A complexed with N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE (F9) inhibitor in the alpha site, internal aldimine 提交 2012-10-31 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 BCN BICINE × 8 CL CHLORIDE ION × 14 CS CESIUM ION × 6 PGE TRIETHYLENE GLYCOL × 6 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 2 EDO 1,2-ETHANEDIOL × 20 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.30 Å R-free 0.169
4KKX Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site 提交 2013-05-06 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 NA SODIUM ION × 6 EDO 1,2-ETHANEDIOL × 20 PEG DI(HYDROXYETHYL)ETHER × 4 AQ3 N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-D-alanine × 2 PGE TRIETHYLENE GLYCOL × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10-14% PEG 8000, 2 mM spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
分辨率 1.77 Å R-free 0.196
4WX2 Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site 提交 2014-11-13 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, pH 7.8; 10% PEG 8,000; 2 mM spermine
分辨率 1.75 Å R-free 0.189
4XUG Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site. 提交 2015-01-25 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NH4 AMMONIUM ION × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-NH4OH, 7-12% PEG 8,000, 2 mM Spermine, pH 7.8, 100mM NH4Cl
分辨率 1.65 Å R-free 0.194
4Y6G Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and beta-site. 提交 2015-02-13 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM spermine, pH 7.8, 100mM NaCl
分辨率 1.65 Å R-free 0.179
4ZQC Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution. 提交 2015-05-08 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 6 DMS DIMETHYL SULFOXIDE × 24 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, containing 10-14% PEG 8,000, and 2 mM spermine
分辨率 1.54 Å R-free 0.187
5BW6 Tryptophan Synthase from Salmonella typhimurium in complex with a single molecule of 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate (F6) in the alpha-site. 提交 2015-06-06 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50mM Bicine-NaOH, pH 7.8, containing 50mM NaCl, 2mM spermine, and 10% PEG 8000
分辨率 1.82 Å R-free 0.214
5CGQ Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with F9 ligand in the alpha-site and the product L-Tryptophan in the beta-site. 提交 2015-07-09 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 TRP TRYPTOPHAN × 2 BCN BICINE × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, pH 7.6, 10% PEG 8,000, 100 mM CsCl2, 1 mM spermine
分辨率 1.18 Å R-free 0.161
6C73 Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site 提交 2018-01-19 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 2–396（395 aa）
突变：Q114A DMS DIMETHYL SULFOXIDE × 40 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 10 CS CESIUM ION × 8 PLP PYRIDOXAL-5'-PHOSPHATE × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；100 mM Bicine-CsOH, pH 7.8, 5-10% PEG8000, 1 mM DTT, 1 mM EDTA, 2 mM F9F
分辨率 1.65 Å R-free 0.183
6D0V Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site 提交 2018-04-11 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 2–394（393 aa）
突变：Q114A DMS DIMETHYL SULFOXIDE × 32 CL CHLORIDE ION × 10 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 16 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 CS CESIUM ION × 6 SER SERINE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM bicine-CsOH, 8-10% PEG8000, 2-6 mM spermine, 1 mM DTT
分辨率 1.64 Å R-free 0.175
6DZ4 Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site 提交 2018-07-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 CL CHLORIDE ION × 16 DMS DIMETHYL SULFOXIDE × 24 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；297 K；50mM Bicine-NaOH, pH 7.8, containing 9% PEG3350, 50mM NaCl, 2mM spermine
分辨率 1.45 Å R-free 0.186
6DZO Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site 提交 2018-07-05 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 2–395（394 aa）
突变：Q114A F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 DMS DIMETHYL SULFOXIDE × 18 CL CHLORIDE ION × 26 CS CESIUM ION × 4 EDO 1,2-ETHANEDIOL × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；297 K；50mM Bicine-CsOH pH 7.8, 50mM Cesium chloride, 9% PEG 8,000, 2mM spermine
分辨率 1.64 Å R-free 0.196
6O1H Tryptophan synthase Q114A mutant in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site 提交 2019-02-19 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 2–396（395 aa）
突变：Q114A DMS DIMETHYL SULFOXIDE × 16 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CS CESIUM ION × 6 CL CHLORIDE ION × 32 HVK pyridin-2-amine × 2 1D0 (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；100 mM Bicine-CsOH, pH 7.8, 5-10% PEG8000, 2 mM F9F, 0.01 mM PLP
分辨率 1.64 Å R-free 0.199
6VNT Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution 提交 2020-01-29 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 EDO 1,2-ETHANEDIOL × 10 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 NA SODIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.25 Å R-free 0.181
6WDU The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. 提交 2020-04-01 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 14 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8, 50mM NaCl
分辨率 1.40 Å R-free 0.195
6WX3 High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. 提交 2020-05-09 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CL CHLORIDE ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 CS CESIUM ION × 4 BCN BICINE × 8 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.20 Å R-free 0.181
6X0C Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and aminoacrylate and benzimidazole at the enzyme beta site 提交 2020-05-15 突变/修饰不同 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：Q114A BZI BENZIMIDAZOLE × 3 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 3 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.45 Å R-free 0.202
6XE3 Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site. 提交 2020-06-11 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：S377A F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 14 CS CESIUM ION × 4 CL CHLORIDE ION × 15 1D0 (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.236
6XIN The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site. 提交 2020-06-20 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 CL CHLORIDE ION × 28 DMS DIMETHYL SULFOXIDE × 48 EDO 1,2-ETHANEDIOL × 32 PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 V41 (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide × 2 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 2 mM Spermine, pH 7.8, 50mM (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide
分辨率 1.75 Å R-free 0.204
6XNC Salmonella typhimurium tryptophan synthase complexed with L-tryptophan and D-glycerol-3-phosphate 提交 2020-07-02 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 DMS DIMETHYL SULFOXIDE × 56 1GP SN-GLYCEROL-1-PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 TRP TRYPTOPHAN × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.05 M Bicine-Na, pH 7.8, 1 mM EDTA, 1 mM DTT, 0.1 mM PLP, 1 mM spermine tetrahydrochloride, 10-12% PEG 3350, 6-10% glycerol
分辨率 2.11 Å R-free 0.213
6XOY Salmonella typhimurium tryptophan synthase complexed with D-tryptophan and D-glycerol-3-phosphate 提交 2020-07-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 DMS DIMETHYL SULFOXIDE × 20 1GP SN-GLYCEROL-1-PHOSPHATE × 2 VB4 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.05 M Bicine-Na, pH 7.8, 5 mM Na2EDTA, 0.1 mM PLP, 1 mM DTT, 1 mM spermine tetrahydrochloride, 10-12% PEG 3350, 6-10% glycerol
分辨率 1.64 Å R-free 0.213
6XRH Salmonella typhimurium tryptophan synthase complexed with oxindolyl-L-alanine and D-glycerol-3-phosphate 提交 2020-07-12 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 DMS DIMETHYL SULFOXIDE × 28 1GP SN-GLYCEROL-1-PHOSPHATE × 2 VCP (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine × 2 VCS 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.05 M Bicine-Na, pH 7.8, 1 mM EDTA, 0.1 mM PLP, 1 mM DTT, and 1 mM spermine tetrahydrochloride, containing 10-12% PEG 3350 and 6-10% glycerol
分辨率 1.44 Å R-free 0.198
6XSY The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine (KOU) at the beta-site 提交 2020-07-16 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：S377A DMS DIMETHYL SULFOXIDE × 20 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 9 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 7% PEG 8,000, 6 mM Spermine
分辨率 1.55 Å R-free 0.179
6XT0 Salmonella typhimurium tryptophan synthase complexed with dioxindolyl-L-alanine and D-glycerol-3-phosphate 提交 2020-07-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 DMS DIMETHYL SULFOXIDE × 30 1GP SN-GLYCEROL-1-PHOSPHATE × 2 X9D 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate × 2 VE4 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.05 M bicine, pH 7.8, 5 mM EDTA, 0.1 mM PLP, 1 mM DTT, and 1 mM spermine tetrahydrochloride with 6-8% glycerol and 10-12% PEG 3350
分辨率 1.37 Å R-free 0.198
7JHW The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site and Cesium ion at the metal coordination site 提交 2020-07-21 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：S377A F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 DMS DIMETHYL SULFOXIDE × 40 CL CHLORIDE ION × 22 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 2 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 8.0
分辨率 1.65 Å R-free 0.217
7JLL The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site 提交 2020-07-29 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：S377A DMS DIMETHYL SULFOXIDE × 48 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CS CESIUM ION × 6 TRP TRYPTOPHAN × 4 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 46 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.215
7JMQ The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-02 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：S377A DMS DIMETHYL SULFOXIDE × 66 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 CS CESIUM ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 6 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.184
7JMQ The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-02 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 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：S377A DMS DIMETHYL SULFOXIDE × 33 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 CS CESIUM ION × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 6 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.184
7JQW The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-11 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：S377A DMS DIMETHYL SULFOXIDE × 18 2AF 2-AMINOPHENOL × 2 CL CHLORIDE ION × 12 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 EDO 1,2-ETHANEDIOL × 1 SER SERINE × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 8.0
分辨率 1.70 Å R-free 0.230
7JTT The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-08-18 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：S377A F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 DMS DIMETHYL SULFOXIDE × 24 CL CHLORIDE ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 7 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
分辨率 1.64 Å R-free 0.218
7K0B The internal aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with cesium ion at the metal coordination site. A random beta-P270L mutation was inserted during PCR step 提交 2020-09-04 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：Q114A, P270L EDO 1,2-ETHANEDIOL × 8 SER SERINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 17 CL CHLORIDE ION × 7 PLP PYRIDOXAL-5'-PHOSPHATE × 1 GOL GLYCEROL × 1 BCN BICINE × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine
分辨率 1.57 Å R-free 0.236
7K5A The external aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A in complex with cesium ion at the metal coordination site. 提交 2020-09-16 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：Q114A PEG DI(HYDROXYETHYL)ETHER × 1 SER SERINE × 1 DMS DIMETHYL SULFOXIDE × 7 CL CHLORIDE ION × 4 EDO 1,2-ETHANEDIOL × 2 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 3 mM Spermine, pH 7.8
分辨率 1.50 Å R-free 0.220
7KA1 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site 提交 2020-09-29 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：Q114A DMS DIMETHYL SULFOXIDE × 16 CL CHLORIDE ION × 5 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 8 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 CS CESIUM ION × 2 SER SERINE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.185
7KBN 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site 提交 2020-10-02 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：Q114A DMS DIMETHYL SULFOXIDE × 19 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 7 CL CHLORIDE ION × 7 1D0 (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 3 2AF 2-AMINOPHENOL × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.60 Å R-free 0.196
7KH6 1.45 Angstrom resolution internal aldimine crystal structure of the beta-Q114A mutant of TryptophanSynthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site 提交 2020-10-20 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：Q114A DMS DIMETHYL SULFOXIDE × 13 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 1 CS CESIUM ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine
分辨率 1.45 Å R-free 0.201
7KI7 The external aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.75 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site 提交 2020-10-23 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：K167T F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 CL CHLORIDE ION × 22 CS CESIUM ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 EDO 1,2-ETHANEDIOL × 6 DMS DIMETHYL SULFOXIDE × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 8.0
分辨率 1.75 Å R-free 0.236
7KMC The internal aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.50 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-11-02 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：K167T PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 10 CL CHLORIDE ION × 7 EDO 1,2-ETHANEDIOL × 9 PLP PYRIDOXAL-5'-PHOSPHATE × 1 CS CESIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.50 Å R-free 0.196
7KQ9 The aminoacrylate form of the beta-Q114A mutant Tryptophan Synthase at 1.50 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-11-13 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 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
突变：Q114A CL CHLORIDE ION × 5 CS CESIUM ION × 3 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 7 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 SER SERINE × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.50 Å R-free 0.217
7KQF The internal aldimine form of the wild-type Tryptophan Synthase from Salmonella in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.47 Angstrom resolution 提交 2020-11-15 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 6 DMS DIMETHYL SULFOXIDE × 1 CS CESIUM ION × 4 CL CHLORIDE ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.47 Å R-free 0.159
7KU9 The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site, two molecules of F6F inhibitor at the enzyme alpha-site and another F6F molecule at the enzyme beta-site at 1.40 Angstrom resolution 提交 2020-11-24 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 3 DMS DIMETHYL SULFOXIDE × 24 EDO 1,2-ETHANEDIOL × 7 CL CHLORIDE ION × 3 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 3 GOL GLYCEROL × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.40 Å R-free 0.177
7KWV The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.30 Angstrom resolution 提交 2020-12-02 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 10 CL CHLORIDE ION × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 PEG DI(HYDROXYETHYL)ETHER × 2 BCN BICINE × 6 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.30 Å R-free 0.199
7KXC The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, sodium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.30 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2020-12-03 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 5 CL CHLORIDE ION × 1 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 BZI BENZIMIDAZOLE × 2 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.51 Å R-free 0.231
7KYT The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.35 Angstrom resolution 提交 2020-12-08 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 6 CS CESIUM ION × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 BZI BENZIMIDAZOLE × 2 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.35 Å R-free 0.209
7L03 The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.60 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site 提交 2020-12-11 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 6 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.224
7L1H The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.50 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site 提交 2020-12-14 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 EDO 1,2-ETHANEDIOL × 8 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 10 CL CHLORIDE ION × 12 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 BCN BICINE × 6 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.50 Å R-free 0.185
7L47 The internal aldimine form of the beta-K167T mutant Tryptophan Synthase from Salmonella at 1.55 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-12-18 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：K167T DMS DIMETHYL SULFOXIDE × 28 EDO 1,2-ETHANEDIOL × 12 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 CL CHLORIDE ION × 22 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.55 Å R-free 0.212
7L4D The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with cesium ion at the metal coordination site at 1.60 Angstrom resolution 提交 2020-12-18 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 EDO 1,2-ETHANEDIOL × 20 DMS DIMETHYL SULFOXIDE × 50 GOL GLYCEROL × 2 CL CHLORIDE ION × 14 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.195
7L5H The external aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase at 1.80 Angstrom resolution with cesium ion at the metal coordination site 提交 2020-12-22 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 EDO 1,2-ETHANEDIOL × 4 CS CESIUM ION × 2 CL CHLORIDE ION × 4 KOU (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.80 Å R-free 0.250
7LEV The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with ammonium ion at the metal coordination site at 1.70 Angstrom resolution 提交 2021-01-15 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 DMS DIMETHYL SULFOXIDE × 8 EDO 1,2-ETHANEDIOL × 3 CL CHLORIDE ION × 5 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 1 NH4 AMMONIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.70 Å R-free 0.246
7LGX The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution 提交 2021-01-21 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：K167T F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 10 CL CHLORIDE ION × 8 BZI BENZIMIDAZOLE × 4 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 DMS DIMETHYL SULFOXIDE × 4 PEG DI(HYDROXYETHYL)ETHER × 2 CS CESIUM ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 6 mM spermine, pH 7.6
分辨率 1.80 Å R-free 0.237
7LKL The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2021-02-02 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 DMS DIMETHYL SULFOXIDE × 26 TRP TRYPTOPHAN × 4 EDO 1,2-ETHANEDIOL × 18 CS CESIUM ION × 10 CL CHLORIDE ION × 8 PEG DI(HYDROXYETHYL)ETHER × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.05 Å R-free 0.176
7LPF The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution 提交 2021-02-11 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 DMS DIMETHYL SULFOXIDE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.10 Å R-free 0.199
7LT4 The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site 提交 2021-02-18 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
突变：K167T DMS DIMETHYL SULFOXIDE × 18 CL CHLORIDE ION × 16 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 12 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 CS CESIUM ION × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 7.6
分辨率 1.80 Å R-free 0.242
7LTP The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution 提交 2021-02-19 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 CS CESIUM ION × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 1 BCN BICINE × 1 TRP TRYPTOPHAN × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.47 Å R-free 0.167
7LUT The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution 提交 2021-02-23 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 DMS DIMETHYL SULFOXIDE × 8 EDO 1,2-ETHANEDIOL × 3 CS CESIUM ION × 6 CL CHLORIDE ION × 5 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 TRP TRYPTOPHAN × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.217
7LV5 The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution 提交 2021-02-23 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 5 CS CESIUM ION × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 1 BCN BICINE × 1 HIS HISTIDINE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, 50mM L-Histidine, pH 7.8
分辨率 1.60 Å R-free 0.179
7LVX The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution 提交 2021-02-26 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 8 CS CESIUM ION × 6 PLP PYRIDOXAL-5'-PHOSPHATE × 1 DMS DIMETHYL SULFOXIDE × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.189
7LX1 The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution 提交 2021-03-02 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 32 CL CHLORIDE ION × 12 PEG DI(HYDROXYETHYL)ETHER × 2 CS CESIUM ION × 10 PLP PYRIDOXAL-5'-PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.61 Å R-free 0.234
7LY8 The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2021-03-06 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 3 CL CHLORIDE ION × 5 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.55 Å R-free 0.194
7M2L The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. Two of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 提交 2021-03-16 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 5 PGE TRIETHYLENE GLYCOL × 1 PLP PYRIDOXAL-5'-PHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.202
7ME8 The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the beta-site, sodium ion at the metal coordination site and dual beta-Q114 rotamer conformation at 1.60 Angstrom resolution 提交 2021-04-06 配体/离子不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 EDO 1,2-ETHANEDIOL × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
分辨率 1.60 Å R-free 0.246
7MT4 Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A) 提交 2021-05-12 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 NH4 AMMONIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；50 mM Bicine-NaOH pH 7.8, 10% PEG 8000, 2 mM spermine
分辨率 1.40 Å R-free 0.203
7MT5 Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A) 提交 2021-05-12 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 CS CESIUM ION × 6 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；50 mM Bicine-CsOH pH 7.8, 10% PEG 8000, 2 mM spermine
分辨率 1.50 Å R-free 0.208
7MT6 Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI) 提交 2021-05-12 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 F9F 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE × 2 0JO 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid × 2 CS CESIUM ION × 4 BZI BENZIMIDAZOLE × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION；293 K；50 mM Bicine-CsOH pH 7.8, 10% PEG 8000, 2 mM spermine
分辨率 1.70 Å R-free 0.193
8B03 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
未记录 PLP PYRIDOXAL-5'-PHOSPHATE × 2 CS CESIUM ION × 2 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.22 Å R-free 0.233
8B05 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 CS CESIUM ION × 1 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 1 IND INDOLE × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.10 Å R-free 0.227
8B06 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 PLP PYRIDOXAL-5'-PHOSPHATE × 1 CS CESIUM ION × 1 SER SERINE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.49 Å R-free 0.266
8B08 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec 提交 2022-09-07 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
未记录 G3P SN-GLYCEROL-3-PHOSPHATE × 1 CS CESIUM ION × 1 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
分辨率 2.50 Å R-free 0.242
8EYP Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal 提交 2022-10-28 突变/修饰不同 配体/离子不同 实验方法不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 B 1–397（397 aa）
非标准单体：是（mmCIF未提供具体位点） NA SODIUM ION × 1 实验方法未声明
X-ray结晶条件 LIQUID DIFFUSION；pH 7.8；295 K；50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6-8% PEG 8000
分辨率未提供
8EYS X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine at pH 5.0 提交 2022-10-28 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
非标准单体：是（mmCIF未提供具体位点） 未记录非水小分子 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6% PEG 8000; acidified with sodium acetate pH 5.0
分辨率 2.20 Å R-free 0.197
8EZC X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine 提交 2022-10-31 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 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric
链 B 1–397（397 aa）
非标准单体：是（mmCIF未提供具体位点） NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 LIQUID DIFFUSION；pH 7.8；295 K；50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6-8% PEG 8000
分辨率 1.60 Å R-free 0.203
8RSX TRYPTOPHAN SYNTHASE measured via serial crystallography from a silicon HARE-chip 提交 2024-01-25 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 E 2–395（394 aa）
非标准单体：是（mmCIF未提供具体位点） CS CESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloirde
分辨率 2.00 Å R-free 0.220
8RSY TRYPTOPHAN SYNTHASE measured via serial crystallography from a kapton HARE-chip (50 micron) 提交 2024-01-25 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 E 2–395（394 aa）
非标准单体：是（mmCIF未提供具体位点） CS CESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloride
分辨率 2.11 Å R-free 0.221
8RSZ TRYPTOPHAN SYNTHASE measured via serial crystallography from a kapton HARE-chip (125 micron) 提交 2024-01-25 构建体不同 突变/修饰不同 配体/离子不同 实验环境不同 结构质量不同 Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric
链 E 2–395（394 aa）
非标准单体：是（mmCIF未提供具体位点） CS CESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloride
分辨率 2.20 Å R-free 0.232

共 119 个其他 PDB 条目、121 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 TRPB_SALTY
Isoform —
PDB实体 2
链与序列区间 作者链 B； PDB构建体 1–397； UniProt 1–397

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 7m3s

P(r) 距离分布 P(r) Distribution

P(r) distribution for 7m3s
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id7m3s
沉积日期 deposition_date2021-03-18
结构标题 titleThe internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
关键词 keywordsinhibitor, internal aldimine form, LYASE, LYASE-LYASE INHIBITOR complex; LYASE/LYASE INHIBITOR
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_guinier27.20 Å
回转半径 Rg (电子) rg_electron26.42 Å
零角强度 I(0) i084072900.00
分子量 molecular_weight71507.0 kDa
排除体积 excluded_volume89209 ų
包络体积 envelope_volume102410 ų
水化壳体积 shell_volume32390 ų
包络直径 envelope_diameter93.9 Å
壳层 Rg shell_rg33.96 Å
包络 Rg envelope_rg26.74 Å
形状 Rg shape_rg26.41 Å
总 Rg total_rg27.18 Å
总原子数 total_atoms5014
残基数 n_residues661
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 dmax91.6 Å
Rg (实空间) rg_real27.27 Å
Rg 误差 (实空间) rg_real_error0.62 Å
I(0) (实空间) i0_real8.4070e+07
I(0) 误差 (实空间) i0_real_error1.3000e+06
Rg (倒空间) rg_reciprocal27.25 Å
I(0) (倒空间) i0_reciprocal84070000.0000
解质量估计 total_estimate0.6674
解质量评级 solution_quality REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary28.4 Å
偏度 Skewness skewness0.464
峰度 Kurtosis kurtosis-0.239
角度范围 angular_range— – 0.2900 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha30430000.0000
实空间数据点数 n_real_points59
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.786; Stabil: 1.000; Sysdev: 0.127; Positv: 1.000; Valcen: 0.984; Smooth: 0.950
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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 (10)

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8. 引用文献 (1)

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9. 文件与曲线 (10)