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1bra

RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN

Method: X-RAY DIFFRACTION Dmax: 52.4 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

TRYPSIN

Rattus rattus

UniProt P00763

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 24–246 Not recorded CA CALCIUM ION × 2 BEN BENZAMIDINE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.20 Å

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 1BRA Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AMH UNCOMPLEXED RAT TRYPSIN MUTANT WITH ASP 189 REPLACED WITH SER (D189S) Deposited 1997-06-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Chain B 24–246（223 aa）
Mutation：D189S Mutation：D189S CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；277 K；CRYSTALLIZED AT 277 K FROM 10 MG/ML PROTEIN SOLUTION USING 22% PEG 3350, 10 MM CACL2 AND 0.15M NH4CL AS PRECIPITANT AT PH=5.6 (0.1 M SODIUM CITRATE).
Resolution 2.50 Å R-free 0.242
1ANB ANIONIC TRYPSIN MUTANT WITH SER 214 REPLACED BY GLU Deposited 1994-12-21 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Mutation：S214E CA CALCIUM ION × 2 BEN BENZAMIDINE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.80 Å
1ANC ANIONIC TRYPSIN MUTANT WITH SER 214 REPLACED BY LYS Deposited 1994-12-21 Different mutation/modification Different ligand/ion Different experimental conditions Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Mutation：S214K CA CALCIUM ION × 2 BEN BENZAMIDINE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.20 Å
1AND ANIONIC TRYPSIN MUTANT WITH ARG 96 REPLACED BY HIS Deposited 1994-12-21 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Mutation：R96H CU COPPER (II) ION × 2 BEN BENZAMIDINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.30 Å
1ANE ANIONIC TRYPSIN WILD TYPE Deposited 1994-12-21 Different ligand/ion Different experimental conditions Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Not recorded BEN BENZAMIDINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.20 Å
1BRB CRYSTAL STRUCTURES OF RAT ANIONIC TRYPSIN COMPLEXED WITH THE PROTEIN INHIBITORS APPI AND BPTI Deposited 1992-12-17 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 24–246（223 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
1BRC RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN Deposited 1992-12-17 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 24–246（223 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1CO7 R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI) Deposited 1999-06-07 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 2–246（245 aa）
Mutation：R117H CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 1.90 Å R-free 0.210
1DPO STRUCTURE OF RAT TRYPSIN Deposited 1997-03-31 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–246（223 aa）
Mutation：S195C CA CALCIUM ION × 1 SO4 SULFATE ION × 2 BEN BENZAMIDINE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 1.59 Å
1EZS CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II Deposited 2000-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 24–246（223 aa）
Chain D 24–246（223 aa）
Mutation：D102N Mutation：D102N CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；protein: 15mg/ml complex in 10mM Tris pH 8.0 well: 0.15M Sodium Cacodylate, 0.3M Sodium Acetate, 14% Peg 4K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.30 Å R-free 0.235
1EZU ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN Deposited 2000-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 24–246（223 aa）
Chain D 24–246（223 aa）
Mutation：D102N Mutation：D102N CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；protein: 15mg/ml in 10mM Tris pH 8.0 well: 16.5% Peg 4k, 0.15 M Sodium Cacodylate, 0.3M Sodium Acetate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.40 Å R-free 0.265
1F5R RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 2000-06-15 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 A 15–246（232 aa）
Mutation：DELTA-I16-V17, Q156K CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；22% PEG 3380, 300 mM Ammonium acetate, 100 mM Sodium acetate, , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.65 Å R-free 0.220
1F7Z RAT TRYPSINOGEN K15A COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR Deposited 2000-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 15–246（232 aa）
Mutation：K15A CA CALCIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.55 Å R-free 0.209
1FY8 CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONIC TRYPSINOGEN-BPTI COMPLEX Deposited 2000-09-28 Different construct 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 14–246（233 aa）
Not recorded CA CALCIUM ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 4000, lithium sulfate, tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.214
1J14 BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT Deposited 2002-11-30 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–246（223 aa）
Mutation：K97E, L99Y CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BEN BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.0
Resolution 2.40 Å
1J15 BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT Deposited 2002-11-30 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–246（223 aa）
Mutation：K97E, L99Y, S190A, Y172S, P173S, G174F, K175I CA CALCIUM ION × 1 SO4 SULFATE ION × 1 BEN BENZAMIDINE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.0
Resolution 2.00 Å
1J16 BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT Deposited 2002-11-30 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–246（223 aa）
Mutation：K97E, L99Y, S190A, Y172S, P173S, G174F, K175I CA CALCIUM ION × 1 SO4 SULFATE ION × 4 BEN BENZAMIDINE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.0
Resolution 1.60 Å
1J17 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT Deposited 2002-11-30 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain T 24–246（223 aa）
Mutation：K97E, L99Y, S190A, Y172S, P173S, G174F, K175I CA CALCIUM ION × 1 SO4 SULFATE ION × 1 ZEN [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7.0
Resolution 2.00 Å
1K9O CRYSTAL STRUCTURE OF MICHAELIS SERPIN-TRYPSIN COMPLEX Deposited 2001-10-29 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 E 24–246（223 aa）
Mutation：S195A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 3350, DTT, POTASSIUM PHOSPHATE, SODIUM PHOSPHATE, 2-PROPANOL, AMMONIUM CHLORIDE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.30 Å R-free 0.231
1QL9 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT Deposited 1999-08-24 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–246（223 aa）
Mutation：YES CA CALCIUM ION × 1 SO4 SULFATE ION × 1 ZEN [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；25MM TRIS PH7, 10MM CACL2, 40% MGSO4, pH 7.00
Resolution 2.30 Å
1SLU RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN Deposited 1996-02-07 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 24–246（223 aa）
Mutation：CHAIN B, N143H, E151H CA CALCIUM ION × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.285
1SLV RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; COPPER-BOUND Deposited 1996-02-07 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 24–246（223 aa）
Mutation：CHAIN B, N143H, E151H CA CALCIUM ION × 2 ACT ACETATE ION × 2 CU COPPER (II) ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.278
1SLW RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; NICKEL-BOUND Deposited 1996-02-07 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 24–246（223 aa）
Mutation：CHAIN B, V121I, N143H, E151H CA CALCIUM ION × 2 ACT ACETATE ION × 2 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.253
1SLX RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; ZINC-BOUND Deposited 1996-02-07 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 24–246（223 aa）
Mutation：CHAIN B, N143H, E151H CA CALCIUM ION × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.267
1TRM THE THREE-DIMENSIONAL STRUCTURE OF ASN102 MUTANT OF TRYPSIN. ROLE OF ASP102 IN SERINE PROTEASE CATALYSIS Deposited 1987-10-21 Different construct Different mutation/modification Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Chain B 24–246（223 aa）
Not recorded CA CALCIUM ION × 2 BEN BENZAMIDINE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1YKT Trypsin/Bpti complex mutant Deposited 2005-01-18 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Mutation：S195A CA CALCIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å R-free 0.212
1YLC Trypsin/BPTI complex mutant Deposited 2005-01-19 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Mutation：S195A CA CALCIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å R-free 0.224
1YLD Trypsin/BPTI complex mutant Deposited 2005-01-19 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 24–246（223 aa）
Mutation：S195A CA CALCIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å R-free 0.217
2TRM THE THREE-DIMENSIONAL STRUCTURE OF ASN102 MUTANT OF TRYPSIN. ROLE OF ASP102 IN SERINE PROTEASE CATALYSIS Deposited 1988-04-25 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 24–246（223 aa）
Not recorded CA CALCIUM ION × 1 BEN BENZAMIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions THE CRYSTALS WERE GROWN AT PH 8 WHICH IS WITHIN THE PH RANGE (7 - 9) WHERE NATIVE TRYPSIN IS OPTIMALLY ACTIVE.
Resolution 2.80 Å
3FP6 Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit Deposited 2009-01-04 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 24–246（223 aa）
Not recorded EDO 1,2-ETHANEDIOL × 8 PG4 TETRAETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；295 K；0.2M lithium sulfate, 0.1M tris, 16% (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.49 Å R-free 0.205
3FP7 Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit Deposited 2009-01-04 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 24–246（223 aa）
Mutation：S195A EDO 1,2-ETHANEDIOL × 5 PG4 TETRAETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；295 K；0.2M lithium sulfate, 0.1M tris, 34% (w/v) PEG 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.46 Å R-free 0.186
3FP8 Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.46 A resolution limit Deposited 2009-01-04 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 E 24–246（223 aa）
Mutation：S195A EDO 1,2-ETHANEDIOL × 6 PG4 TETRAETHYLENE GLYCOL × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；295 K；0.2M lithium sulfate, 0.1M tris, 34% (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.46 Å R-free 0.189
3TGI WILD-TYPE RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) Deposited 1998-07-15 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 24–246（223 aa）
Not recorded CA CALCIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；30% PEG 4000 0.2 M LISO4 0.1 M TRIS PH 8.5
Resolution 1.80 Å R-free 0.210
3TGJ S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) Deposited 1998-07-16 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 15–246（232 aa）
Mutation：S195A CA CALCIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；24% PEG 4000 0.2 M LISO4 0.1 M TRIS PH 8.5
Resolution 2.20 Å R-free 0.240
3TGK TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) Deposited 1998-07-19 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 15–246（232 aa）
Mutation：DEL(I16,V17), D194N CA CALCIUM ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；0.2 M LISO4, 0.1 M TRIS, pH 8.5
Resolution 1.70 Å R-free 0.218

35 other PDB entries and 35 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TRY2_RAT
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–223； UniProt 24–246

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 1bra

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1bra
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1bra
Deposition date deposition_date1992-12-17
Structure title titleRELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN
Keywords keywordsPROTEINASE/INHIBITOR, PROTEINASE-INHIBITOR complex; PROTEINASE/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier17.17 Å
Radius of gyration Rg (electron density) rg_electron16.08 Å
Forward intensity I(0) i010913200.00
Molecular weight molecular_weight23951.0 kDa
Excluded volume excluded_volume29649 ų
Envelope volume envelope_volume32510 ų
Hydration-shell volume shell_volume16617 ų
Envelope diameter envelope_diameter53.2 Å
Shell Rg shell_rg22.46 Å
Envelope Rg envelope_rg16.34 Å
Shape Rg shape_rg16.08 Å
Total Rg total_rg17.05 Å
Total atoms total_atoms1676
Residues n_residues223
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax52.4 Å
Rg (real space) rg_real17.04 Å
Rg uncertainty (real space) rg_real_error0.24 Å
I(0) (real space) i0_real1.0910e+07
I(0) uncertainty (real space) i0_real_error1.3400e+05
Rg (reciprocal space) rg_reciprocal17.06 Å
I(0) (reciprocal space) i0_reciprocal10910000.0000
Solution quality estimate total_estimate0.9018
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.1 Å
Skewness Skewness skewness0.095
Kurtosis Kurtosis kurtosis-0.478
Angular range angular_range— – 0.4650 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2728000.0000
Real-space data points n_real_points77
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.986
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1braa_
Class classb — All beta proteins
Fold Fold foldb.47 — Trypsin-like serine proteases
Superfamily Superfamily superfamilyb.47.1 — Trypsin-like serine proteases
Family Family familyb.47.1.2 — Eukaryotic proteases

CATH v4.4 (2 domains)

Domain ID domain_id1braA01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id1braA02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
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8. Citations (2)

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9. Files and Curves (10)