|
1A50
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE
Deposited 1998-02-18
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
|
6XOY
Salmonella typhimurium tryptophan synthase complexed with D-tryptophan and D-glycerol-3-phosphate
Deposited 2020-07-07
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
Chain B
1–397（397 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF)
|
NA SODIUM ION × 1
|
Experimental method 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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
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
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
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
|
