1j14

BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT

Method: X-RAY DIFFRACTION D_max: 53.5 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

trypsin II, anionic

Rattus norvegicus

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 24–246	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

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 1J14	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 oligomeric state 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 oligomeric state 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 oligomeric state 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：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 oligomeric state 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 mutation/modification Different oligomeric state 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）	Not recorded	BEN BENZAMIDINE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.0	Resolution 2.20 Å
1BRA RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN Deposited 1992-12-17	Different mutation/modification Different oligomeric state 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）	Not recorded	CA CALCIUM ION × 2 BEN BENZAMIDINE × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å
1BRB CRYSTAL STRUCTURES OF RAT ANIONIC TRYPSIN COMPLEXED WITH THE PROTEIN INHIBITORS APPI AND BPTI Deposited 1992-12-17	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）	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 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）	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 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 experimental conditions 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 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 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
1J15 BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT Deposited 2002-11-30	Different mutation/modification Different ligand/ion 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 ligand/ion 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 ligand/ion 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 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 experimental conditions 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 experimental conditions 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 experimental conditions 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 experimental conditions 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 oligomeric state 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）	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 experimental conditions 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 experimental conditions 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 experimental conditions 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 mutation/modification 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 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）	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 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）	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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1j14
Deposition date deposition_date	2002-11-30
Structure title title	BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT
Keywords keywords	SERINE PROTEASE, HYDROLASE, SERINE PROTEINASE; HYDROLASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	17.16 Å
Radius of gyration Rg (electron density) rg_electron	16.09 Å
Forward intensity I(0) i0	11258400.00
Molecular weight molecular_weight	24096.0 kDa
Excluded volume excluded_volume	29718 Å³
Envelope volume envelope_volume	32717 Å³
Hydration-shell volume shell_volume	16709 Å³
Envelope diameter envelope_diameter	53.5 Å
Shell Rg shell_rg	22.46 Å
Envelope Rg envelope_rg	16.35 Å
Shape Rg shape_rg	16.10 Å
Total Rg total_rg	17.04 Å
Total atoms total_atoms	1685
Residues n_residues	220
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	53.5 Å
Rg (real space) rg_real	17.03 Å
Rg uncertainty (real space) rg_real_error	0.30 Å
I(0) (real space) i0_real	1.1260e+07
I(0) uncertainty (real space) i0_real_error	1.3780e+05
Rg (reciprocal space) rg_reciprocal	17.05 Å
I(0) (reciprocal space) i0_reciprocal	11260000.0000
Solution quality estimate total_estimate	0.8184
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	22.5 Å
Skewness Skewness skewness	0.104
Kurtosis Kurtosis kurtosis	-0.462
Angular range angular_range	— – 0.4650 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	3023000.0000
Real-space data points n_real_points	77
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	trypsin II, anionic
Molecular weight formula_weight	23864.8 kDa
EC 编号 ec_number	3.4.21.4
Mutation mutation	K97E, L99Y
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1749

IVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDRETYNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPGVYTKVCNYVDWIQDTIAAN

来源 Source

来源生物 organism	Rattus norvegicus
通用名 common_name	Norway rat
NCBI Class编号 ncbi_taxonomy_id	10116
宿主生物 host_organism	Saccharomyces cerevisiae

Entity 2 Entity 2 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	BENZAMIDINE
Molecular weight formula_weight	120.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	64

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1j14a_
Class class	b — All beta proteins
Fold Fold fold	b.47 — Trypsin-like serine proteases
Superfamily Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
Family Family family	b.47.1.2 — Eukaryotic proteases

CATH v4.4 (2 domains)

Domain ID domain_id	1j14A01
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	10 — Thrombin, subunit H
Homologous superfamily homologous superfamily	10 — Trypsin-like serine proteases

Domain ID domain_id	1j14A02
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	10 — Thrombin, subunit H
Homologous superfamily homologous superfamily	10 — Trypsin-like serine proteases

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8. Citations (5)

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Unit-cell length a length_a	124.520 Å
Unit-cell length b length_b	124.520 Å
Unit-cell length c length_c	124.520 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	I 2 3
Space-group number int_tables_number	197
Crystal system crystal_system	—

Resolution resolution	2.400 Å
Low-resolution limit resolution_low	10.000 Å
R factor r_factor	—
R_work r_work	0.1930
R_free r_free	—

fit	/app/data/saxs_computation/j1/1j14/1j14.fit
pddf	/app/data/pr_computation/j1/1j14/1j14.pr.out
profile	/app/data/saxs_computation/j1/1j14/1j14.dat