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2fi5

Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Cationic trypsin

Bos taurus

UniProt P00760

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 Pancreatic trypsin inhibitor × 1 （P00974） SODIUM ION × 1 CALCIUM ION × 2 SULFATE ION × 8 1,2-ETHANEDIOL × 7 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 8 Pancreatic trypsin inhibitor × 4 （P00974） SODIUM ION × 4 CALCIUM ION × 8 SULFATE ION × 32 1,2-ETHANEDIOL × 28 water × 8 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 4 Pancreatic trypsin inhibitor × 2 （P00974） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 4 Pancreatic trypsin inhibitor × 2 （P00974） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 4 Pancreatic trypsin inhibitor × 2 （P00974） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 4 Pancreatic trypsin inhibitor × 2 （P00974） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
7 Protein heterocomplex Heteromer Protein 2 Pancreatic trypsin inhibitor × 1 （P00974） SODIUM ION × 1 CALCIUM ION × 2 SULFATE ION × 8 1,2-ETHANEDIOL × 7 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1auj 1az8 1bju 1bjv 1btp 1btw 1btx 1bty 1btz 1c1n 1c1o 1c1p

521 assemblies; showing the first 12

Homodimer
3pmj 5gxp

2 assemblies

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
1aq7 1c9t 1c9t 1c9t 1c9t 1c9t 1c9t 1d6r 1ejm 1ejm 1ejm 1ezx

248 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name TRY1_BOVIN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain E； PDBConstruct 1–216； UniProt 21–243

Pancreatic trypsin inhibitor

Bos taurus

UniProt P00974

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 Cationic trypsin × 1 （P00760） SODIUM ION × 1 CALCIUM ION × 2 SULFATE ION × 8 1,2-ETHANEDIOL × 7 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 8 Cationic trypsin × 4 （P00760） SODIUM ION × 4 CALCIUM ION × 8 SULFATE ION × 32 1,2-ETHANEDIOL × 28 water × 8 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 4 Cationic trypsin × 2 （P00760） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 4 Cationic trypsin × 2 （P00760） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 4 Cationic trypsin × 2 （P00760） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 4 Cationic trypsin × 2 （P00760） SODIUM ION × 2 CALCIUM ION × 4 SULFATE ION × 16 1,2-ETHANEDIOL × 14 water × 4 Consistent with protein count
7 Protein heterocomplex Heteromer Protein 2 Cationic trypsin × 1 （P00760） SODIUM ION × 1 CALCIUM ION × 2 SULFATE ION × 8 1,2-ETHANEDIOL × 7 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1aal 1aal 1bpi 1bpt 1bti 1fan 1g6x 1jv8 1jv9 1k6u 1ld5 1ld6

59 assemblies; showing the first 12

Homodimer
1g6x 1k09 2zjx 2zvx

4 assemblies

Homotetramer

None

Other homooligomers
1b0c 1bhc 1bz5 2hex 2hex 3ldi 3ldm 6f1f

8 assemblies

Heteromeric or nucleic-acid complex
1brb 1bth 1bth 1bzx 1cbw 1cbw 1cbw 1co7 1d0d 1eaw 1eaw 1ejm

195 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name BPT1_BOVIN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain I； PDBConstruct 1–58； UniProt 36–93

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id2fi5
Deposition date deposition_date2005-12-27
Structure title titleCrystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin
Keywords keywordsPROTEASE-INHIBITOR COMPLEX, hydrolase-hydrolase inhibitor COMPLEX; hydrolase/hydrolase inhibitor
Experimental Method methodX-RAY DIFFRACTION
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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

2fi5__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

2fi5__assembly_1__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

2fi5__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg（Guinier）19.83 Å
Rg (electron density)18.65 Å
Total Rg19.73 Å
Atom count2152
Residues280
Excluded volume37992 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 2fi5__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 2fi5__assembly_2__model_1 octameric （8） Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 2fi5__assembly_3__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
4 1 2fi5__assembly_4__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
5 1 2fi5__assembly_5__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
6 1 2fi5__assembly_6__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
7 1 2fi5__assembly_7__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (7)

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6. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd2fi5e_
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
Domain ID domain_idd2fi5i_
Class classg — Small proteins
Fold Fold foldg.8 — BPTI-like
Superfamily Superfamily superfamilyg.8.1 — BPTI-like
Family Family familyg.8.1.1 — Small Kunitz-type inhibitors & BPTI-like toxins

CATH v4.4 (3 domains)

Domain ID domain_id2fi5E01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id2fi5E02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id2fi5I00
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology410 — Factor Xa Inhibitor
Homologous superfamily homologous superfamily10 — Pancreatic trypsin inhibitor Kunitz domain
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7. Citations (1)