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7jr1

Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin

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

Cationic trypsin

OrganismNot specified

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 Kunitz-type inihibitor × 1 （Q6VEQ7） SULFATE ION × 2 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 Kunitz-type inihibitor × 1 （Q6VEQ7） SULFATE ION × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 Kunitz-type inihibitor × 1 （Q6VEQ7） SULFATE ION × 2 SODIUM ION × 2 water × 2 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 Kunitz-type inihibitor × 1 （Q6VEQ7） SULFATE ION × 3 water × 2 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 2 Kunitz-type inihibitor × 1 （Q6VEQ7） SULFATE ION × 4 SODIUM ION × 1 water × 2 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 2 Kunitz-type inihibitor × 1 （Q6VEQ7） SULFATE ION × 4 SODIUM ION × 1 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 A； PDBConstruct 1–223； UniProt 24–246 Author chain B； PDBConstruct 1–223； UniProt 24–246 Author chain C； PDBConstruct 1–223； UniProt 24–246 Author chain D； PDBConstruct 1–223； UniProt 24–246 Author chain E； PDBConstruct 1–223； UniProt 24–246 Author chain F； PDBConstruct 1–223； UniProt 24–246

Kunitz-type inihibitor

Bauhinia bauhinioides

UniProt Q6VEQ7

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） SULFATE ION × 2 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 Cationic trypsin × 1 （P00760） SULFATE ION × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 Cationic trypsin × 1 （P00760） SULFATE ION × 2 SODIUM ION × 2 water × 2 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 Cationic trypsin × 1 （P00760） SULFATE ION × 3 water × 2 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 2 Cationic trypsin × 1 （P00760） SULFATE ION × 4 SODIUM ION × 1 water × 2 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 2 Cationic trypsin × 1 （P00760） SULFATE ION × 4 SODIUM ION × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer

None

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
6dwf 6dwf 6dwf 6dwf 6dwf 6dwf 6dwh 6dwh 6dwh 6dwu 6dwu 6dwu

81 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name Q6VEQ7_BAUBA
Isoform —
PDB entities 2
Chains and sequence ranges Author chain G； PDBConstruct 2–164； UniProt 19–181 Author chain H； PDBConstruct 2–164； UniProt 19–181 Author chain I； PDBConstruct 2–164； UniProt 19–181 Author chain J； PDBConstruct 2–164； UniProt 19–181 Author chain K； PDBConstruct 2–164； UniProt 19–181 Author chain L； PDBConstruct 2–164； UniProt 19–181

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_id7jr1
Deposition date deposition_date2020-08-11
Structure title titleCrystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin
Keywords keywords;Human Kallikrein 4, Bauhinia Bauhiniordes Kallikrein Inhibitor, Bovine Trypsin, R64F mutant, BbKI, STRUCTURAL PROTEIN, HYDROLASE-INHIBITOR complex ;; 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.

7jr1__assembly_4__model_1

Assembly 4 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

7jr1__assembly_4__model_1 | I(q)

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

7jr1__assembly_4__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）22.68 Å
Rg (electron density)21.76 Å
Total Rg22.60 Å
Atom count2904
Residues386
Excluded volume51529 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 7jr1__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 7jr1__assembly_2__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 7jr1__assembly_3__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
4 1 7jr1__assembly_4__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
5 1 7jr1__assembly_5__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
6 1 7jr1__assembly_6__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 (5)

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6. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd7jr1a_
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_idd7jr1b_
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_idd7jr1c_
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_idd7jr1d_
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_idd7jr1e_
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_idd7jr1f_
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 (12 domains)

Domain ID domain_id7jr1A01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1A02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1B01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1B02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1C01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1C02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1D01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1D02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1E01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1E02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1F01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id7jr1F02
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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7. Citations (1)