Current Protein Identity：P0A2K1
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1A50 CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE Deposited 1998-02-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | FIP 5-FLUOROINDOLE PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.8
|
Resolution 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 Deposited 1998-02-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | K POTASSIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
|
Resolution 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 Deposited 1998-02-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 K POTASSIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
|
Resolution 2.00 Å R-free 0.283 |
| 1BEU TRP SYNTHASE (D60N-IPP-SER) WITH K+ Deposited 1998-05-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：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 crystallization conditions
pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
|
Resolution 1.90 Å R-free 0.278 |
| 1BKS TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) FROM SALMONELLA TYPHIMURIUM Deposited 1998-07-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.8
|
Resolution 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 Deposited 1999-07-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
Fragment：BETA CHAIN
|
Not recorded | HE1 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1999-07-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | HE1 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1999-08-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | HF1 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1999-08-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | HSP 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1999-08-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | NHP 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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 Deposited 2000-09-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：R34S, A169L, C170W | FIP 5-FLUOROINDOLE PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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 Deposited 2001-10-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | IAD N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 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 Deposited 2001-10-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | IAG N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；PEG 8000, pH 7.80
|
Resolution 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 Deposited 2001-10-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | IAV N-[1H-INDOL-3-YL-ACETYL]VALINE ACID × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 8000, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.251 |
| 1K7X CRYSTAL STRUCTURE OF THE BETA-SER178PRO MUTANT OF TRYPTOPHAN SYNTHASE Deposited 2001-10-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：S178P | NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.70 Å R-free 0.238 |
| 1K8X Crystal Structure Of AlphaT183V Mutant Of Tryptophan Synthase From Salmonella Typhimurium Deposited 2001-10-26 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 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 Deposited 2001-10-26 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：S178P | 13P 1,3-DIHYDROXYACETONEPHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.80
|
Resolution 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 Deposited 2001-10-26 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：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 crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.70 Å R-free 0.265 |
| 1KFB CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH Indole Glycerol Phosphate Deposited 2001-11-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.90 Å R-free 0.210 |
| 1KFC CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate Deposited 2001-11-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | IPL INDOLE-3-PROPANOL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, SPERMINE, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 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 Deposited 2001-11-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
2–395（394 aa）
|
Not recorded | NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 1.75 Å R-free 0.225 |
| 1KFJ CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH L-SERINE Deposited 2001-11-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | NA SODIUM ION × 2 PLS [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；PEG 8000, pH 7.80
|
Resolution 1.80 Å R-free 0.211 |
| 1KFK Crystal structure of Tryptophan Synthase From Salmonella Typhimurium Deposited 2001-11-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；296 K；PEG 8000, EDTA, spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 2.40 Å R-free 0.225 |
| 1QOQ CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH INDOLE GLYCEROL PHOSPHATE Deposited 1999-11-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 1.80 Å R-free 0.210 |
| 2CLE Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 complex Deposited 2006-04-27 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | NA SODIUM ION × 2 F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.50 Å R-free 0.210 |
| 2CLF Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - highF6 complex Deposited 2006-04-27 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.70 Å R-free 0.196 |
| 2CLH Tryptophan Synthase in complex with (naphthalene-2'-sulfonyl)-2-amino- 1-ethylphosphate (F19) Deposited 2006-04-27 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
2–397（396 aa）
|
Not recorded | NA SODIUM ION × 2 F19 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；pH 7.80
|
Resolution 1.70 Å R-free 0.220 |
| 2CLI Tryptophan Synthase in complex with N-(4'- trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9) Deposited 2006-04-27 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | 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 crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.70 Å R-free 0.206 |
| 2CLK Tryptophan Synthase in complex with D-glyceraldehyde 3-phosphate (G3P) Deposited 2006-04-27 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | G3H GLYCERALDEHYDE-3-PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.50 Å R-free 0.202 |
| 2CLL Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9) Deposited 2006-04-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | 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 crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.60 Å R-free 0.245 |
| 2CLM Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) Deposited 2006-04-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | 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 crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.51 Å R-free 0.239 |
| 2CLO Tryptophan Synthase (external aldimine state) in complex with (naphthalene-2'-sulfonyl)-2-amino-1-ethylphosphate (F19) Deposited 2006-04-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | 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 crystallization conditions
pH 7.8；pH 7.8
|
Resolution 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) Deposited 2006-11-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | 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 crystallization conditions
pH 7.8；pH 7.80
|
Resolution 1.90 Å R-free 0.240 |
| 2J9Y Tryptophan Synthase Q114N mutant in complex with Compound II Deposited 2006-11-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
pH 7.8；pH 7.8
|
Resolution 1.80 Å R-free 0.263 |
| 2J9Z Tryptophan Synthase T110 mutant complex Deposited 2006-11-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：YES | PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.8
|
Resolution 1.80 Å R-free 0.218 |
| 2RH9 Tryptophan synthase complexed with IGP, internal aldimine, pH 9.0 Deposited 2007-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
Fragment：tryptophan synthase, beta chain
|
Not recorded | IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 1.70 Å R-free 0.200 |
| 2RHG Tryptophan synthase complexed with IGP, pH 7.0, internal aldimine Deposited 2007-10-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | IGP INDOLE-3-GLYCEROL PHOSPHATE × 2 NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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 Deposited 1997-01-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：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 crystallization conditions
pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
|
Resolution 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 Deposited 1997-01-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：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 crystallization conditions
pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
|
Resolution 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 Deposited 1997-01-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Mutation：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 crystallization conditions
pH 7.8；50MM NABICINE (PH 7.8), 1MM NA-EDTA, 0.8-1.5MM SPERMINE, 12% PEG8000
|
Resolution 1.90 Å |
| 2WSY CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE Deposited 1998-02-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–396（396 aa）
|
Not recorded | NA SODIUM ION × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.8；pH 7.8
|
Resolution 3.05 Å R-free 0.299 |
| 3CEP Structure of a tryptophan synthase quinonoid intermediate Deposited 2008-02-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
2–397（396 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 2.10 Å R-free 0.238 |
| 3PR2 Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site Deposited 2010-11-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
3–393（391 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2012-10-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2012-10-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2012-10-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2012-10-24 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2012-10-31 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2013-05-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2014-11-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, pH 7.8; 10% PEG 8,000; 2 mM spermine
|
Resolution 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. Deposited 2015-01-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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. Deposited 2015-02-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 4 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 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. Deposited 2015-05-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, containing 10-14% PEG 8,000, and 2 mM spermine
|
Resolution 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. Deposited 2015-06-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | F6F 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE × 2 PLP PYRIDOXAL-5'-PHOSPHATE × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50mM Bicine-NaOH, pH 7.8, containing 50mM NaCl, 2mM spermine, and 10% PEG 8000
|
Resolution 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. Deposited 2015-07-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2018-01-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
2–396（395 aa）
|
Mutation：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 crystallization conditions
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
|
Resolution 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 Deposited 2018-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
2–394（393 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM bicine-CsOH, 8-10% PEG8000, 2-6 mM spermine, 1 mM DTT
|
Resolution 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 Deposited 2018-07-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；297 K；50mM Bicine-NaOH, pH 7.8, containing 9% PEG3350, 50mM NaCl, 2mM spermine
|
Resolution 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 Deposited 2018-07-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
2–395（394 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；297 K；50mM Bicine-CsOH pH 7.8, 50mM Cesium chloride, 9% PEG 8,000, 2mM spermine
|
Resolution 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 Deposited 2019-02-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
2–396（395 aa）
|
Mutation：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 crystallization conditions
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
|
Resolution 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 Deposited 2020-01-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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. Deposited 2020-04-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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. Deposited 2020-05-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-05-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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. Deposited 2020-06-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
|
Resolution 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. Deposited 2020-06-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.75 Å R-free 0.204 |
| 6XNC Salmonella typhimurium tryptophan synthase complexed with L-tryptophan and D-glycerol-3-phosphate Deposited 2020-07-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 2.11 Å R-free 0.213 |
| 6XOY Salmonella typhimurium tryptophan synthase complexed with D-tryptophan and D-glycerol-3-phosphate Deposited 2020-07-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.64 Å R-free 0.213 |
| 6XRH Salmonella typhimurium tryptophan synthase complexed with oxindolyl-L-alanine and D-glycerol-3-phosphate Deposited 2020-07-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2020-07-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 7% PEG 8,000, 6 mM Spermine
|
Resolution 1.55 Å R-free 0.179 |
| 6XT0 Salmonella typhimurium tryptophan synthase complexed with dioxindolyl-L-alanine and D-glycerol-3-phosphate Deposited 2020-07-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2020-07-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 8.0
|
Resolution 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 Deposited 2020-07-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-08-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 6 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2020-08-02 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 6 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2020-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 8.0
|
Resolution 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 Deposited 2020-08-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-09-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine
|
Resolution 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. Deposited 2020-09-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 3 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-09-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2020-10-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2020-10-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine
|
Resolution 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 Deposited 2020-10-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 8.0
|
Resolution 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 Deposited 2020-11-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2020-11-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2020-11-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-11-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-12-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-12-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-12-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-12-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-12-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-12-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2020-12-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 9% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2020-12-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-01-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-01-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 6 mM spermine, pH 7.6
|
Resolution 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 Deposited 2021-02-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-02-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-02-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Mutation：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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.6；298 K；50 mM Bicine-CsOH, 8% PEG 8,000, 4 mM Spermine, pH 7.6
|
Resolution 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 Deposited 2021-02-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-02-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-02-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2021-02-26 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-03-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-03-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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 Deposited 2021-03-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-NaOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 1.60 Å R-free 0.202 |
| 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 Deposited 2021-03-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 1.55 Å R-free 0.201 |
| 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 Deposited 2021-03-18 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 1.55 Å R-free 0.201 |
| 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 Deposited 2021-04-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8
|
Resolution 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) Deposited 2021-05-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION；293 K；50 mM Bicine-NaOH pH 7.8, 10% PEG 8000, 2 mM spermine
|
Resolution 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) Deposited 2021-05-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION；293 K；50 mM Bicine-CsOH pH 7.8, 10% PEG 8000, 2 mM spermine
|
Resolution 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) Deposited 2021-05-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION；293 K；50 mM Bicine-CsOH pH 7.8, 10% PEG 8000, 2 mM spermine
|
Resolution 1.70 Å R-free 0.193 |
| 8B03 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec Deposited 2022-09-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | PLP PYRIDOXAL-5'-PHOSPHATE × 2 CS CESIUM ION × 2 CL CHLORIDE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
|
Resolution 2.22 Å R-free 0.233 |
| 8B05 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec Deposited 2022-09-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
|
Resolution 2.10 Å R-free 0.227 |
| 8B06 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec Deposited 2022-09-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | PLP PYRIDOXAL-5'-PHOSPHATE × 1 CS CESIUM ION × 1 SER SERINE × 1 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
|
Resolution 2.49 Å R-free 0.266 |
| 8B08 TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec Deposited 2022-09-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 300, Tris-HCl
|
Resolution 2.50 Å R-free 0.242 |
| 8EYP Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal Deposited 2022-10-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–397（397 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NA SODIUM ION × 1 | Not declared |
X-ray crystallization conditions
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
|
Resolution not provided |
| 8EYS X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine at pH 5.0 Deposited 2022-10-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 2.20 Å R-free 0.197 |
| 8EZC X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine Deposited 2022-10-31 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
1–397（397 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
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
|
Resolution 1.60 Å R-free 0.203 |
| 8RSX TRYPTOPHAN SYNTHASE measured via serial crystallography from a silicon HARE-chip Deposited 2024-01-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–395（394 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CS CESIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloirde
|
Resolution 2.00 Å R-free 0.220 |
| 8RSY TRYPTOPHAN SYNTHASE measured via serial crystallography from a kapton HARE-chip (50 micron) Deposited 2024-01-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–395（394 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CS CESIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloride
|
Resolution 2.11 Å R-free 0.221 |
| 8RSZ TRYPTOPHAN SYNTHASE measured via serial crystallography from a kapton HARE-chip (125 micron) Deposited 2024-01-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–395（394 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CS CESIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
BATCH MODE；pH 7.5；293 K；PEG 300, Tris-HCl, Cesium chloride
|
Resolution 2.20 Å R-free 0.232 |