Trypsin inhibitor 1
OrganismNot specified
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 40–53 | Mutation：C3(ABA), C11(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | SOLUTION NMR NMR measurement conditions：pH 4.5；290 K；Pressure ambient NMR sample composition：10 mM peptide in 0.5 ml solvent | 90% H2O/10% D2O NMR sample composition：10 mM peptide in 0.5 ml solvent | 100% D2O | Resolution not provided |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 1T9E | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1JBL Solution structure of SFTI-1, A cyclic trypsin inhibitor from sunflower seeds Deposited 2001-06-05 | Different construct Different mutation/modification Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–14（14 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.5；273 K；Ionic strength (raw mmCIF value) 20mM；Pressure ambient
NMR measurement conditions
pH 4.5；313 K；Ionic strength (raw mmCIF value) 20mM；Pressure ambient
NMR sample composition
1mM SFTI-1 | 20mM sodium phosphate,pH 4.5,
20% trifluoroethanol,
10% D2O
NMR sample composition
1mM SFTI-1 | 20mM sodium phosphate,pH 4.5,
10% D2O
NMR sample composition
1mM SFTI-1 | 20mM sodium phosphate,pH 4.5,
20% trifluoroethanol,
100% D2O
|
Resolution not provided |
| 1JBN Solution structure of an acyclic permutant of SFTI-1, A trypsin inhibitor from sunflower seeds Deposited 2001-06-06 | Different construct Different mutation/modification Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–14（14 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4.5；273 K；Ionic strength (raw mmCIF value) 20mM；Pressure ambient
NMR measurement conditions
pH 4.5；313 K；Ionic strength (raw mmCIF value) 20mM；Pressure ambient
NMR sample composition
1mM 14/1-lSFTI-1 | 20mM sodium phosphate, pH4.5,
20% trifluoroethanol,
10%D2O
NMR sample composition
1mM 14/1-lSFTI-1 | 20mM sodium phosphate, pH4.5,
10%D2O
NMR sample composition
1mM 14/1-lSFTI-1 | 20mM sodium phosphate, pH4.5,
20% trifluoroethanol,
80%D2O
|
Resolution not provided |
| 1SFI High resolution structure of a potent, cyclic protease inhibitor from sunflower seeds Deposited 1998-12-16 | Different construct 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 I
1–14（14 aa）
|
Not recorded | SO4 SULFATE ION × 3 CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 1.65 Å R-free 0.204 |
| 2AB9 Discovery, structural determination and processing of the precursor protein that produces the cyclic trypsin inhibitor SFTI-1 Deposited 2005-07-15 | Different construct Different mutation/modification Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
26–56（31 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 4；298 K；Ionic strength (raw mmCIF value) NA；Pressure ambient
NMR sample composition
approx 1mM pro-SFTI-1, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition
approx 1mM pro-SFTI-1, 100% D2O | 100% D2O
|
Resolution not provided |
| 3P8F Crystal Structure of MT-SP1 in complex with SFTI-1 Deposited 2010-10-13 | Different construct 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 I
40–53（14 aa）
Fragment：UNP RESIDUES 40-53
|
Not recorded | GSH Glutathione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；0.1M Tris.HCl pH 8.0, 22% PEG 8K, 20mM CaCl2, vapor diffusion, hanging drop, temperature 297K
|
Resolution 2.00 Å R-free 0.245 |
| 4ABI Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond Deposited 2011-12-08 | 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
40–53（14 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CA CALCIUM ION × 1 DMF DIMETHYLFORMAMIDE × 3 GOL GLYCEROL × 7 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
1.85 M (NH4)2SO4,50 MM TRIS PH 8.5 WITH 60 MG/ML TRYPSIN (SIGMA T1246) IN 0.3 M (NH4)2SO4, 6 MM CACL2, 0.1 M TRIS PH 8.15, 60 MM BENZAMIDINE. TO 10 UL PROTEIN SOL 0.5 UL DIMETHYLFORMAMID WAS ADDED PRIOR CRYSTAL SET UP. CRYSTALS WERE SOAKED WITH PTA-SFTI (ADDED IN LYOPHYLIZED FORM TO THE CRYSTALLIZATION DROP AFTER 2 WEEKS CRYSTAL GROWTH). TOTAL SOAKING TIME 8 DAYS.
|
Resolution 1.55 Å R-free 0.220 |
| 4ABJ Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond Deposited 2011-12-08 | 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
40–53（14 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CA CALCIUM ION × 1 DMF DIMETHYLFORMAMIDE × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
2.0 M (NH4)2SO4,50 MM TRIS PH 8.5 WITH 30 MG/ML TRYPSIN (SIDMA T1246) IN 0.3 M (NH4)2SO4, 6 MM CACL2, 0.1 M TRIS PH 8.15, 60 MM BENZAMIDINE) TO 10 UL PROTEIN SOL 0.5 UL DIMETHYLFORMAMID WAS ADDED PRIOR CRYSTAL SET UP CRYSTALS WERE SOAKED WITH ICA-SFTI (ADDED IN LYOPHYLIZED FORM TO THE CRYSTALLIZATION DROP AFTER 2 WEEKS). TOTAL SOAKING TIME 8 DAYS.
|
Resolution 1.45 Å R-free 0.204 |
| 4HGC Crystal structure of bovine trypsin complexed with sfti-1 analog containing a peptoid residue at position p1 Deposited 2012-10-08 | Different construct 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 I
40–53（14 aa）
Fragment：unp residues 40-53
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CA CALCIUM ION × 1 GOL GLYCEROL × 5 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；2.3 M ammonium sulphate, 1 mM benzamidine and 0.1 M Mes, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
Resolution 1.29 Å R-free 0.157 |
| 4K1E Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR Deposited 2013-04-04 | 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
40–53（14 aa）
|
Mutation：modified FCQR | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 LI LITHIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1M lithium sulfate, 0.1M sodium acetate, 30% PEG 8000 , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.30 Å R-free 0.170 |
| 4K8Y Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) Deposited 2013-04-19 | Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
40–53（14 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 20%(w/v) PEG 8000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.00 Å R-free 0.170 |
| 4KEL Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N) Deposited 2013-04-25 | Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
40–53（14 aa）
|
Mutation：modified FCQR(N) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1M lithium sulfate, 0.1M sodium acetate, 30% PEG 8000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.15 Å R-free 0.163 |
| 4XOJ Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1) Deposited 2015-01-16 | Different construct 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
40–52（13 aa）
Fragment：UNP residues 40-52
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 7 CA CALCIUM ION × 1 NA SODIUM ION × 3 NH4 AMMONIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；sodium acetate trihydrate, PEG 8000, ammonium sulphate
|
Resolution 0.91 Å R-free 0.114 |
| 6D3X Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Deposited 2018-04-17 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
40–53（14 aa）
Fragment：UNP residues 40-53
|
Mutation：T4Y, I7K | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；21% PEG4000, 0.1 M magnesium chloride, 0.1 M sodium citrate
|
Resolution 1.80 Å R-free 0.216 |
| 6D3X Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Deposited 2018-04-17 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
40–53（14 aa）
Fragment：UNP residues 40-53
|
Mutation：T4Y, I7K | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；21% PEG4000, 0.1 M magnesium chloride, 0.1 M sodium citrate
|
Resolution 1.80 Å R-free 0.216 |
| 6D3Y Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Deposited 2018-04-17 | Different construct 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 C
40–53（14 aa）
Fragment：UNP residues 40-53
|
Mutation：I7R | SO4 SULFATE ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M 2-ethanesulfonic acid, 0.15 M ammonium sulfate, 13% PEG4000
|
Resolution 1.32 Å R-free 0.213 |
| 6D3Z Protease SFTI complex Deposited 2018-04-17 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
40–53（14 aa）
Fragment：UNP residues 40-53
|
Mutation：T4Y, I7R, D14N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1 M sodium acetate, 1 M sodium formate
|
Resolution 2.00 Å R-free 0.203 |
| 6D40 Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Deposited 2018-04-17 | Different construct 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 C
40–53（14 aa）
Fragment：UNP residues 40-53
|
Mutation：T4Y | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；15% PEG4000, 0.1 M MES, 0.15 M ammonium sulfate
|
Resolution 1.43 Å R-free 0.210 |
| 6U7Q NMR solution structure of SFTI-R10 Deposited 2019-09-03 | Different mutation/modification Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
40–53（14 aa）
|
Mutation：I10R | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 3.5；298 K；Ionic strength (raw mmCIF value) TFA；Pressure Ambient
NMR measurement conditions
pH 3.5；298 K；Ionic strength (raw mmCIF value) TFA；Pressure Ambient
NMR sample composition
1.5 mM SFTI-R10, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 6U7R NMR solution structure of SFTI1 based KLK7 protease inhibitor Deposited 2019-09-03 | Different mutation/modification Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
40–53（14 aa）
|
Mutation：R2K, T4L, K5N, I7N, D14N | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 3.5；298 K；Ionic strength (raw mmCIF value) TFA；Pressure Ambient
NMR measurement conditions
pH 3.5；298 K；Ionic strength (raw mmCIF value) TFA；Pressure Ambient
NMR sample composition
1.5 mM SFTI-KLK7, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 6U7S NMR solution structure of SFTI-1 based plasmin inhibitor Deposited 2019-09-03 | Different mutation/modification Different experimental conditions | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
40–53（14 aa）
|
Mutation：T4Y, I7K | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 3.5；298 K；Ionic strength (raw mmCIF value) TFA；Pressure Ambient
NMR measurement conditions
pH 3.5；298 K；Ionic strength (raw mmCIF value) TFA；Pressure Ambient
NMR sample composition
1.5 mM SFTI-YKK, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
19 other PDB entries and 20 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | SFTI1_HELAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–14； UniProt 40–53 |
