SAXSdb — 3bx1

▼

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

Subtilisin Savinase

Bacillus lentus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Alpha-amylase/subtilisin inhibitor × 1 （P07596） CALCIUM ION × 2 CHLORIDE ION × 15 SODIUM ION × 4 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Alpha-amylase/subtilisin inhibitor × 1 （P07596） CALCIUM ION × 2 CHLORIDE ION × 9 SODIUM ION × 2 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 8	Alpha-amylase/subtilisin inhibitor × 4 （P07596） CALCIUM ION × 8 CHLORIDE ION × 48 SODIUM ION × 12 water × 8	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SUBS_BACLE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–269； UniProt 1–269 Author chain B； PDBConstruct 1–269； UniProt 1–269

Alpha-amylase/subtilisin inhibitor

Hordeum vulgare

UniProt P07596

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Subtilisin Savinase × 1 （P29600） CALCIUM ION × 2 CHLORIDE ION × 15 SODIUM ION × 4 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Subtilisin Savinase × 1 （P29600） CALCIUM ION × 2 CHLORIDE ION × 9 SODIUM ION × 2 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 8	Subtilisin Savinase × 4 （P29600） CALCIUM ION × 8 CHLORIDE ION × 48 SODIUM ION × 12 water × 8	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	IAAS_HORVU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 1–181； UniProt 23–203 Author chain D； PDBConstruct 1–181； UniProt 23–203

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	3bx1
Deposition date deposition_date	2008-01-11
Structure title title	Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase
Keywords keywords	;Complex (Proteinase-Inhibitor) Enzyme inhibition, Savinase, Barley alpha-Amylase/Subtilisin Inhibitor, Calcium, Hydrolase, Metal-binding, Protease, Secreted, Serine protease, Sporulation, Alpha-amylase inhibitor, Protease inhibitor, Serine protease inhibitor, HYDROLASE-HYDROLASE INHIBITOR COMPLEX ;; HYDROLASE/HYDROLASE INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

▼

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.

3bx1__assembly_1__model_1

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

Download this curve (.dat)

3bx1__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3bx1__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	23.72 Å
Rg (electron density)	22.87 Å
Total Rg	23.67 Å
Atom count	3304
Residues	450
Excluded volume	57995 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3bx1__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3bx1__assembly_2__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`3bx1__assembly_3__model_1`	octameric （8）	Success	4.1.3-1-20251215 (887e7ef)	View Download

▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Subtilisin Savinase
Molecular weight formula_weight	26718.4 kDa
EC 编号 ec_number	3.4.21.62
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	7228

AQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFVPGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGASGSGSVSSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQSTYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATSLGSTNLYGSGLVNAEAATR

Source Source

Source organism organism	Bacillus lentus
Host organism host_organism	Bacillus subtilis

Entity 2 Entity 2 polymer

Description description	Alpha-amylase/subtilisin inhibitor
Molecular weight formula_weight	19908.3 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

ADPPPVHDTDGHELRADANYYVLSANRAHGGGLTMAPGHGRHCPLFVSQDPNGQHDGFPVRITPYGVAPSDKIIRLSTDVRISFRAYTTCLQSTEWHIDSELAAGRRHVITGPVKDPSPSGRENAFRIEKYSGAEVHEYKLMSCGDWCQDLGVFRDLKGGAWFLGATEPYHVVVFKKAPPA

Source Source

Source organism organism	Hordeum vulgare
Common name common_name	Barley
Host organism host_organism	Pichia pastoris

Entity 3 Entity 3 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	24

Entity 5 Entity 5 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	574

▼

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d3bx1a_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.41 — Subtilisin-like
Superfamily Superfamily superfamily	c.41.1 — Subtilisin-like
Family Family family	c.41.1.1 — Subtilases

Domain ID domain_id	d3bx1b_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.41 — Subtilisin-like
Superfamily Superfamily superfamily	c.41.1 — Subtilisin-like
Family Family family	c.41.1.1 — Subtilases

Domain ID domain_id	d3bx1c_
Class class	b — All beta proteins
Fold Fold fold	b.42 — beta-Trefoil
Superfamily Superfamily superfamily	b.42.4 — STI-like
Family Family family	b.42.4.1 — Kunitz (STI) inhibitors

Domain ID domain_id	d3bx1d_
Class class	b — All beta proteins
Fold Fold fold	b.42 — beta-Trefoil
Superfamily Superfamily superfamily	b.42.4 — STI-like
Family Family family	b.42.4.1 — Kunitz (STI) inhibitors

CATH v4.4 (4 domains)

Domain ID domain_id	3bx1A00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	200 — Peptidase S8/S53 domain

Domain ID domain_id	3bx1B00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	200 — Peptidase S8/S53 domain

Domain ID domain_id	3bx1C00
Class class	2 — Mainly Beta
Architecture architecture	80 — Trefoil
Topology topology	10 — Trefoil (Acidic Fibroblast Growth Factor, subunit A)
Homologous superfamily homologous superfamily	50 —

Domain ID domain_id	3bx1D00
Class class	2 — Mainly Beta
Architecture architecture	80 — Trefoil
Topology topology	10 — Trefoil (Acidic Fibroblast Growth Factor, subunit A)
Homologous superfamily homologous superfamily	50 —

▶

Unit-cell length a length_a	100.637 Å
Unit-cell length b length_b	100.637 Å
Unit-cell length c length_c	216.242 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	P 41 21 2
Space-group number int_tables_number	92
Crystal system crystal_system	—

Resolution resolution	1.850 Å
Low-resolution limit resolution_low	35.110 Å
R factor r_factor	0.2038
R_work r_work	0.2019
R_free r_free	0.2389

Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase

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

Subtilisin Savinase

State in the Current Structure

Other States of the Same Protein in the Database

Alpha-amylase/subtilisin inhibitor

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

3bx1__assembly_1__model_1

3bx1__assembly_1__model_1 | I(q)

3bx1__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (1)

Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase

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

Subtilisin Savinase

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Alpha-amylase/subtilisin inhibitor

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

3bx1__assembly_1__model_1

3bx1__assembly_1__model_1 | I(q)

3bx1__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (1)