SAXSdb — 7jrx

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

Chymotrypsin A chain A

OrganismNot specified

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Kunitz-type inihibitor × 1 （Q6VEQ7） water × 4	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Kunitz-type inihibitor × 1 （Q6VEQ7） water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	CTRA_BOVIN
Isoform	—
PDB entities	1, 2, 3
Chains and sequence ranges	Author chain A； PDBConstruct 1–13； UniProt 1–13 Author chain a； PDBConstruct 1–13； UniProt 1–13 Author chain B； PDBConstruct 1–131； UniProt 16–146 Author chain b； PDBConstruct 1–131； UniProt 16–146 Author chain C； PDBConstruct 1–97； UniProt 149–245 Author chain c； PDBConstruct 1–97； UniProt 149–245

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 4	Chymotrypsin A chain A × 1 （P00766） Chymotrypsin A chain B × 1 （P00766） Chymotrypsin A chain C × 1 （P00766） water × 4	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Chymotrypsin A chain A × 1 （P00766） Chymotrypsin A chain B × 1 （P00766） Chymotrypsin A chain C × 1 （P00766） water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q6VEQ7_BAUBA
Isoform	—
PDB entities	4
Chains and sequence ranges	Author chain I； PDBConstruct 2–166； UniProt 19–183 Author chain i； PDBConstruct 2–166； UniProt 19–183

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_id	7jrx
Deposition date deposition_date	2020-08-13
Structure title title	Crystal structure of the R64F mutant of Bauhinia Bauhinioides complexed with Bovine Chymotrypsin
Keywords keywords	Bovine Chymotrypsin, R64F, Bauhinia Bauhinioides Kallikrein Inhibitor, STRUCTURAL PROTEIN, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
Experimental Method method	X-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.

7jrx__assembly_1__model_1

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

Download this curve (.dat)

7jrx__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

7jrx__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	23.05 Å
Rg (electron density)	22.17 Å
Total Rg	22.98 Å
Atom count	3022
Residues	404
Excluded volume	53922 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`7jrx__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`7jrx__assembly_2__model_1`	tetrameric （4）	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)

Entity 1 Entity 1 polymer

Description description	Chymotrypsin A chain A
Molecular weight formula_weight	1253.5 kDa
EC 编号 ec_number	3.4.21.1
Source method src_method	nat
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,a
Atom count atom_count	6902

CGVPAIQPVLSGL

Entity 2 Entity 2 polymer

Description description	Chymotrypsin A chain B
Molecular weight formula_weight	13934.6 kDa
EC 编号 ec_number	3.4.21.1
Source method src_method	nat
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,b

IVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRY

Entity 3 Entity 3 polymer

Description description	Chymotrypsin A chain C
Molecular weight formula_weight	10074.5 kDa
EC 编号 ec_number	3.4.21.1
Source method src_method	nat
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,c

ANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN

Entity 4 Entity 4 polymer

Description description	Kunitz-type inihibitor
Molecular weight formula_weight	18130.5 kDa
Mutation mutation	R64F
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	I,i

GSSVVVDTNGQPVSNGADAYYLVPVSHGHAGLALAKIGNEAEPRAVVLDPHHRPGLPVRFESPLFINIIKESYFLNIKFGPSSSDSGVWDVIQQDPIGLAVKVTDTKSLLGPFKVEKEGEGYKIVYYPERGQTGLDIGLVHRNDKYYLAVKDGEPCVFKIRKATDE

Source Source

Source organism organism	Bauhinia bauhinioides
NCBI taxonomy ID ncbi_taxonomy_id	166014
Host organism host_organism	Escherichia coli

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	773

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Unit-cell length a length_a	60.018 Å
Unit-cell length b length_b	60.693 Å
Unit-cell length c length_c	425.535 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	16

Space group space_group	C 2 2 21
Space-group number int_tables_number	20
Crystal system crystal_system	—

Resolution resolution	1.770 Å
Low-resolution limit resolution_low	71.020 Å
R factor r_factor	0.1761
R_work r_work	0.1755
R_free r_free	0.2080

Crystal structure of the R64F mutant of Bauhinia Bauhinioides complexed with Bovine Chymotrypsin

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

Chymotrypsin A chain A

State in the Current Structure

Other States of the Same Protein in the Database

Kunitz-type inihibitor

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

7jrx__assembly_1__model_1

7jrx__assembly_1__model_1 | I(q)

7jrx__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer Polymer

Entity 4 Entity 4 polymer

Polymer Polymer

Source Source

Entity 5 Entity 5 water

7. Citations (1)

Crystal structure of the R64F mutant of Bauhinia Bauhinioides complexed with Bovine Chymotrypsin

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

Chymotrypsin A chain A

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Kunitz-type inihibitor

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

7jrx__assembly_1__model_1

7jrx__assembly_1__model_1 | I(q)

7jrx__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer Polymer

Entity 4 Entity 4 polymer

Polymer Polymer

Source Source

Entity 5 Entity 5 water

7. Citations (1)