2a31

Trypsin in complex with borate

Method: X-RAY DIFFRACTION D_max: 52.2 Å Quality: EXCELLENT

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

Trypsin

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 9–231	Not recorded	CA CALCIUM ION × 1 MG MAGNESIUM ION × 3 NA SODIUM ION × 1 SO4 SULFATE ION × 1 BO4 BORATE ION × 2 PG3 GUANIDINE-3-PROPANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8；300 K；MgSO4, HEPES, CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K	Resolution 1.25 Å R-free 0.162

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 2A31	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1AKS CRYSTAL STRUCTURE OF THE FIRST ACTIVE AUTOLYSATE FORM OF THE PORCINE ALPHA TRYPSIN Deposited 1996-07-24	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 9–133（125 aa） Chain B 134–231（98 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
1AN1 LEECH-DERIVED TRYPTASE INHIBITOR/TRYPSIN COMPLEX Deposited 1997-06-26	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 9–231（223 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；30% V/V 2-PROPANOL, 0.2M AMMONIUM ACETATE, 0.1M TRIS-HCL, PH 8.5 ROOM TEMPERATURE 27 MONTHS FOR GROWTH.	Resolution 2.03 Å R-free 0.228
1AVW COMPLEX PORCINE PANCREATIC TRYPSIN/SOYBEAN TRYPSIN INHIBITOR, ORTHORHOMBIC CRYSTAL FORM Deposited 1997-09-21	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 1.75 Å R-free 0.214
1AVX COMPLEX PORCINE PANCREATIC TRYPSIN/SOYBEAN TRYPSIN INHIBITOR, TETRAGONAL CRYSTAL FORM Deposited 1997-09-21	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；pH 6.5	Resolution 1.90 Å R-free 0.280
1C9P COMPLEX OF BDELLASTASIN WITH PORCINE TRYPSIN Deposited 1999-08-03	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 9–231（223 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M HEPES, 10% 2-PROPANOL, 20% PEG 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.80 Å R-free 0.227
1EJA STRUCTURE OF PORCINE TRYPSIN COMPLEXED WITH BDELLASTASIN, AN ANTISTASIN-TYPE INHIBITOR Deposited 2000-03-02	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 9–231（223 aa）	Not recorded	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；298 K；4.0 M Na-formate, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.70 Å R-free 0.248
1EPT REFINED 1.8 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF PORCINE EPSILON-TRYPSIN Deposited 1994-06-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 9–51（43 aa） Chain B 52–133（82 aa） Chain C 134–231（98 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å
1FMG CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.04% POLYDOCANOL Deposited 2000-08-17	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；pH 6.70, VAPOR DIFFUSION, HANGING DROP	Resolution 1.90 Å R-free 0.234
1FN6 CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.1% POLYDOCANOL Deposited 2000-08-21	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 2 MOH METHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；pH 6.70, VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.242
1FNI CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.01% POLYDOCANOL Deposited 2000-08-22	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	SO4 SULFATE ION × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；pH 6.70, VAPOR DIFFUSION, HANGING DROP	Resolution 1.60 Å R-free 0.233
1H9H COMPLEX OF EETI-II WITH PORCINE TRYPSIN Deposited 2001-03-12	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.7；pH 6.70	Resolution 1.50 Å R-free 0.276
1H9I COMPLEX OF EETI-II MUTANT WITH PORCINE TRYPSIN Deposited 2001-03-12	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.7；pH 6.70	Resolution 1.90 Å R-free 0.175
1LDT COMPLEX OF LEECH-DERIVED TRYPTASE INHIBITOR WITH PORCINE TRYPSIN Deposited 1997-05-15	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain T 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；10% PEG 6000, 2.3M PHOSPHATE, PH 8.0	Resolution 1.90 Å
1MCT THE REFINED 1.6 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN PORCINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY Deposited 1992-10-24	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.60 Å
1QQU CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH BOUND ACETATE ION Deposited 1999-06-09	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.7；pH 6.70	Resolution 1.63 Å R-free 0.255
1S5S Porcine trypsin complexed with guanidine-3-propanol inhibitor Deposited 2004-01-21	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 PG3 GUANIDINE-3-PROPANOL × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；298 K；1.8M MgSO4, 50mM HEPES, 5mM CaCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 8.00	Resolution 1.40 Å R-free 0.181
1S6F PORCINE TRYPSIN COVALENT COMPLEX WITH BORATE AND GUANIDINE-3 INHIBITOR Deposited 2004-01-23	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 SO4 SULFATE ION × 2 SBP [3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.80 Å R-free 0.198
1S6H PORCINE TRYPSIN COMPLEXED WITH GUANIDINE-3-PROPANOL INHIBITOR Deposited 2004-01-23	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	SO4 SULFATE ION × 2 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1 4BZ 4-(HYDROXYMETHYL)BENZAMIDINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.45 Å R-free 0.179
1S81 PORCINE TRYPSIN WITH NO INHIBITOR BOUND Deposited 2004-01-30	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 NA SODIUM ION × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.70 Å R-free 0.216
1S82 PORCINE TRYPSIN COMPLEXED WITH BORATE AND ETHYLENE GLYCOL Deposited 2004-01-30	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 SO4 SULFATE ION × 2 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 7 SBE 1,3,2-DIOXABOROLAN-2-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.85 Å R-free 0.214
1S83 PORCINE TRYPSIN COMPLEXED WITH 4-AMINO PROPANOL Deposited 2004-01-30	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 4HA 4-HYDROXYBUTAN-1-AMINIUM × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.25 Å R-free 0.178
1S84 PORCINE TRYPSIN COVALENT COMPLEX WITH 4-AMINO BUTANOL, BORATE AND ETHYLENE GLYCOL Deposited 2004-01-30	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 6 DYB 4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-1-AMINIUM × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.85 Å R-free 0.177
1S85 PORCINE TRYPSIN COMPLEXED WITH P-HYDROXYMETHYL BENZAMIDINE AND BORATE Deposited 2004-01-30	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 SO4 SULFATE ION × 1 SBZ [4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.20 Å R-free 0.254
1TFX COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN Deposited 1997-01-21	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.0	Resolution 2.60 Å
1TFX COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN Deposited 1997-01-21	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.0	Resolution 2.60 Å
1TX6 trypsin:BBI complex Deposited 2004-07-02	Different construct 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 A 9–231（223 aa） Chain B 9–231（223 aa）	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.59；291 K；PEG 8000, sodium citrate, DTT, pH 5.59, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 2.20 Å R-free 0.274
1TX6 trypsin:BBI complex Deposited 2004-07-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 9–231（223 aa） Chain D 9–231（223 aa）	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.59；291 K；PEG 8000, sodium citrate, DTT, pH 5.59, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 2.20 Å R-free 0.274
1UHB Crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native peptide at 2.15 A resolution Deposited 2003-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 9–133（125 aa） Chain B 134–231（98 aa） Chain P 177–185（9 aa）	Not recorded	CA CALCIUM ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；1.5M ammonium sulphate, pH 6.70, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.15 Å R-free 0.228
1V6D The crystal structure of the trypsin complex with synthetic heterochiral peptide Deposited 2003-11-28	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 ACT ACETATE ION × 1 TBF TERT-BUTYL FORMATE × 1 NME METHYLAMINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；2M ammonium sulphate, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.90 Å R-free 0.178
1YF4 Crystal Structure of trypsin-vasopressin complex Deposited 2004-12-30	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 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；acetate buffer, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.98 Å R-free 0.226
1Z7K Crystal Structure of Trypsin- Ovomucoid turkey egg white inhibitor complex Deposited 2005-03-25	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 9–231（223 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；293 K；1.5M ammonium sulphate, 10mM zinc acetate, 50mM Acetate buffer, pH 5.30, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.90 Å R-free 0.188
2A32 Trypsin in complex with benzene boronic acid Deposited 2005-06-23	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 9–231（223 aa）	Not recorded	CA CALCIUM ION × 1 NA SODIUM ION × 1 PG3 GUANIDINE-3-PROPANOL × 1 PBC PHENYL BORONIC ACID × 2 BO4 BORATE ION × 1 CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；300 K；MgSO4, HEPES, CaCl2, the crystal while grown at pH 8.0 was soaked in a solution at pH 10.5 before freezing and data collection. pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K	Resolution 1.50 Å R-free 0.188
3MYW The Bowman-Birk type inhibitor from mung bean in ternary complex with porcine trypsin Deposited 2010-05-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 9–231（223 aa） Chain B 9–231（223 aa）	Not recorded	CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；1.5M ammonium sulfate, 0.2M sodium potassium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.50 Å
4AN7 Kunitz type trypsin inhibitor complex with porcine trypsin Deposited 2012-03-15	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 A 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions 0.2 M AMMONIUM PHOSPHATE, 20% PEG3350	Resolution 2.23 Å R-free 0.246
4DOQ Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI Deposited 2012-02-10	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 9–231（223 aa）	Not recorded	XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 SO4 SULFATE ION × 3 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25% PEG4000, 0.1M Na-Citrate, 200mM Ammonium Sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.00 Å R-free 0.242
4DOQ Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI Deposited 2012-02-10	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 9–231（223 aa）	Not recorded	SO4 SULFATE ION × 3 CA CALCIUM ION × 1 P6G HEXAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25% PEG4000, 0.1M Na-Citrate, 200mM Ammonium Sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.00 Å R-free 0.242
4DOQ Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI Deposited 2012-02-10	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 9–231（223 aa）	Not recorded	SO4 SULFATE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25% PEG4000, 0.1M Na-Citrate, 200mM Ammonium Sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.00 Å R-free 0.242
5XW1 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH10 Deposited 2017-06-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–133（133 aa） Fragment：UNP residues 1-133 Chain B 134–231（98 aa） Fragment：UNP residues 134-231	Not recorded	CA CALCIUM ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；300 K；0.1M CHES PH10, 70% MPD	Resolution 1.90 Å R-free 0.173
5XW8 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7 Deposited 2017-06-29	Different construct 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 A 1–133（133 aa） Fragment：UNP residues 1-133 Chain B 134–231（98 aa） Fragment：UNP residues 134-231	Not recorded	CA CALCIUM ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；0.1M HEPES pH 7.5, 70% MPD	Resolution 2.00 Å R-free 0.178
5XW9 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 7 Deposited 2017-06-29	Different construct 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 A 1–133（133 aa） Fragment：UNP residues 1-133 Chain B 134–231（98 aa） Fragment：UNP residues 134-231	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；0.1M HEPES pH 7.5, 70% MPD	Resolution 2.00 Å R-free 0.194
5XWA Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 10 Deposited 2017-06-29	Different construct 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 A 1–133（133 aa） Fragment：UNP residues 1-133 Chain B 134–231（98 aa） Fragment：UNP residues 134-231	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；300 K；0.1M CHES pH 10, 70% MPD	Resolution 1.90 Å R-free 0.182
5XWJ Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7 Deposited 2017-06-29	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 A 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；0.1M HEPES pH7.5, 70% MPD	Resolution 1.80 Å R-free 0.182
5XWJ Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7 Deposited 2017-06-29	Different construct 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 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；0.1M HEPES pH7.5, 70% MPD	Resolution 1.80 Å R-free 0.182
5XWL Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 10 Deposited 2017-06-29	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 A 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；300 K；0.1M CHES pH 10, 70% MPD	Resolution 2.10 Å R-free 0.194
5XWL Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 10 Deposited 2017-06-29	Different construct 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 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；300 K；0.1M CHES pH 10, 70% MPD	Resolution 2.10 Å R-free 0.194
9CT1 Complex between the porcine trypsin and M271 a Kunitz-STI from Solanum tuberosum Deposited 2024-07-24	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 A 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 4.6；293 K；0.085 M Sodium acetate trihydrate pH 4.6, 0.17 M Ammonium acetate, 25.5% w/v Polyethylene glycol 4,000, 15% v/v Glycerol	Resolution 2.42 Å R-free 0.244
9CT1 Complex between the porcine trypsin and M271 a Kunitz-STI from Solanum tuberosum Deposited 2024-07-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH MODE；pH 4.6；293 K；0.085 M Sodium acetate trihydrate pH 4.6, 0.17 M Ammonium acetate, 25.5% w/v Polyethylene glycol 4,000, 15% v/v Glycerol	Resolution 2.42 Å R-free 0.244
9PCT Structure of Porcine Trypsin Crystals Grown from PEG Complexed with Crystallization Additives III Deposited 2025-06-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1 BEN BENZAMIDINE × 3 FLC CITRATE ANION × 2 PG4 TETRAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 9 GOL GLYCEROL × 2 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 5 MLT D-MALATE × 3 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 ACT ACETATE ION × 3 PO4 PHOSPHATE ION × 1 TAR D(-)-TARTARIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；Sitting drop vapor diffusion in Cryschem plates with 0.6 ml reservoirs of 30% PEG 3350 buffered at pH 6.5 with 0.1 M HEPES. Drops 3 ul of reservoir, 2 ul of additive mix ( TACSIMATE, glycerol, sucrose, sorbitol), 3 ul of 40 mg/ml stock protein solution buffered at pH 6.5 with 0.1 M HEPES.	Resolution 1.41 Å R-free 0.170
9PD9 The Structure of Porcine Trypsin in Complex with Crystallization Additives I Deposited 2025-06-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1 BEN BENZAMIDINE × 4 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 4 PEG DI(HYDROXYETHYL)ETHER × 15 PG4 TETRAETHYLENE GLYCOL × 8 OXL OXALATE ION × 1 A1CHW 4-aminobenzene-1-sulfonic acid × 1 OXM OXAMIC ACID × 6 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；Sitting drop vapor diffusion in Cryschem plates. Reservoirs 30% PEG 3350. Drops 3.0 ul of reservoir, plus 2 ul additives oxalic acid, sulfanilic acid, 4-amino benzoic acid mix, plus 3.0 ul of 40 mg/ml stock protein solution of 0.1 M HEPES at pH 6.5.	Resolution 1.28 Å R-free 0.147
9PDA Structure of Porcine Trypsin Crystals Grown From PEG and Complexed With Crystallization Additives IV Deposited 2025-06-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–231（231 aa）	Not recorded	BEN BENZAMIDINE × 1 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 3 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1 PEG DI(HYDROXYETHYL)ETHER × 8 CA CALCIUM ION × 1 MLI MALONATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；Sitting drop vapor diffusion in Cryschem plates with reservoirs of 30% PEG 3350 buffered at pH 6.5 with 0.1 M HEPES. Drops composed of 3 ul reservoir, 2 ul of additive mix (oxalic acid, malic acid, oxaloacetic acid, pyromellitic acid), and 3 ul of a 40 mg/ml protein stock	Resolution 1.18 Å R-free 0.230
9PDA Structure of Porcine Trypsin Crystals Grown From PEG and Complexed With Crystallization Additives IV Deposited 2025-06-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–231（231 aa）	Not recorded	BEN BENZAMIDINE × 3 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 4 PEG DI(HYDROXYETHYL)ETHER × 18 CA CALCIUM ION × 1 MLI MALONATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 3 PMA PYROMELLITIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；Sitting drop vapor diffusion in Cryschem plates with reservoirs of 30% PEG 3350 buffered at pH 6.5 with 0.1 M HEPES. Drops composed of 3 ul reservoir, 2 ul of additive mix (oxalic acid, malic acid, oxaloacetic acid, pyromellitic acid), and 3 ul of a 40 mg/ml protein stock	Resolution 1.18 Å R-free 0.230
9PDA Structure of Porcine Trypsin Crystals Grown From PEG and Complexed With Crystallization Additives IV Deposited 2025-06-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–231（231 aa）	Not recorded	BEN BENZAMIDINE × 3 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 2 PEG DI(HYDROXYETHYL)ETHER × 15 CA CALCIUM ION × 1 MLI MALONATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 5 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；Sitting drop vapor diffusion in Cryschem plates with reservoirs of 30% PEG 3350 buffered at pH 6.5 with 0.1 M HEPES. Drops composed of 3 ul reservoir, 2 ul of additive mix (oxalic acid, malic acid, oxaloacetic acid, pyromellitic acid), and 3 ul of a 40 mg/ml protein stock	Resolution 1.18 Å R-free 0.230
9PDA Structure of Porcine Trypsin Crystals Grown From PEG and Complexed With Crystallization Additives IV Deposited 2025-06-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 1–231（231 aa）	Not recorded	BEN BENZAMIDINE × 3 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 3 PEG DI(HYDROXYETHYL)ETHER × 20 CA CALCIUM ION × 2 MLI MALONATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 6 PMA PYROMELLITIC ACID × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；Sitting drop vapor diffusion in Cryschem plates with reservoirs of 30% PEG 3350 buffered at pH 6.5 with 0.1 M HEPES. Drops composed of 3 ul reservoir, 2 ul of additive mix (oxalic acid, malic acid, oxaloacetic acid, pyromellitic acid), and 3 ul of a 40 mg/ml protein stock	Resolution 1.18 Å R-free 0.230
9PDC Porcine Trypsin grown from PEG and Complexed with Crystallization Additives II Deposited 2025-06-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–231（231 aa）	Not recorded	CA CALCIUM ION × 1 TLA L(+)-TARTARIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 28 PG4 TETRAETHYLENE GLYCOL × 10 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 2 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 1 BEN BENZAMIDINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；Sitting drop vapor diffusion in Cryschem plates. Reservoirs 30% PEG 3350 buffered with 0.1 M HEPES at pH 6.5. Drops 3 ul of reservoir, 2 ul of additive mix ( TACSIMATE, PEG 3350), 3 ul of 40 mg/ml stock protein solution buffered with 0.1 M HEPES pH 6.5.	Resolution 1.27 Å R-free 0.154

44 other PDB entries and 54 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	TRYP_PIG
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–223； UniProt 9–231

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	2a31
Deposition date deposition_date	2005-06-23
Structure title title	Trypsin in complex with borate
Keywords keywords	HYDROLASE, Trypsin; 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	17.28 Å
Radius of gyration Rg (electron density) rg_electron	16.13 Å
Forward intensity I(0) i0	11229400.00
Molecular weight molecular_weight	23911.0 kDa
Excluded volume excluded_volume	29478 Å³
Envelope volume envelope_volume	32581 Å³
Hydration-shell volume shell_volume	16598 Å³
Envelope diameter envelope_diameter	52.7 Å
Shell Rg shell_rg	22.50 Å
Envelope Rg envelope_rg	16.46 Å
Shape Rg shape_rg	16.11 Å
Total Rg total_rg	17.17 Å
Total atoms total_atoms	3282
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	52.2 Å
Rg (real space) rg_real	17.16 Å
Rg uncertainty (real space) rg_real_error	0.25 Å
I(0) (real space) i0_real	1.1230e+07
I(0) uncertainty (real space) i0_real_error	1.4470e+05
Rg (reciprocal space) rg_reciprocal	17.17 Å
I(0) (reciprocal space) i0_reciprocal	11230000.0000
Solution quality estimate total_estimate	0.9036
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	51.6 Å
Skewness Skewness skewness	0.117
Kurtosis Kurtosis kurtosis	-0.462
Angular range angular_range	— – 0.4600 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2954000.0000
Real-space data points n_real_points	77
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.967

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (8)

Entity 1 Entity 1 polymer

Description description	Trypsin
Molecular weight formula_weight	23493.5 kDa
EC 编号 ec_number	3.4.21.4
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	4790

IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN

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	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 4 Entity 4 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

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

Entity 6 Entity 6 non-polymer

Description description	BORATE ION
Molecular weight formula_weight	78.8 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 7 Entity 7 non-polymer

Description description	GUANIDINE-3-PROPANOL
Molecular weight formula_weight	118.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 8 Entity 8 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	339

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d2a31a_
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	2a31A01
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	2a31A02
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 (2)

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Unit-cell length a length_a	76.304 Å
Unit-cell length b length_b	53.446 Å
Unit-cell length c length_c	46.466 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	4

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.250 Å
Low-resolution limit resolution_low	31.900 Å
R factor r_factor	—
R_work r_work	0.1400
R_free r_free	0.1620

fit	/app/data/saxs_computation/a3/2a31/2a31.fit
pddf	/app/data/pr_computation/a3/2a31/2a31.pr.out
profile	/app/data/saxs_computation/a3/2a31/2a31.dat