5fbz

Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A

Method: X-RAY DIFFRACTION

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

Subtilisin-chymotrypsin inhibitor-2A

Hordeum vulgare

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Enzyme subtilase SubHal from Bacillus halmapalus × 1 CALCIUM ION × 3 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Enzyme subtilase SubHal from Bacillus halmapalus × 1 CALCIUM ION × 3 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	ICI2_HORVU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–72； UniProt 13–84 Author chain D； PDBConstruct 1–72； UniProt 13–84

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	5fbz
Deposition date deposition_date	2015-12-14
Structure title title	Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A
Keywords keywords	Protease, Subtilase, Calcium binding, CI2A inhibitor, hydrolase; HYDROLASE
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.

5fbz__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

5fbz__assembly_2__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

5fbz__assembly_2__model_1 | P(r) · Pending

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

Rg（Guinier）	22.90 Å
Rg (electron density)	22.00 Å
Total Rg	22.87 Å
Atom count	3716
Residues	496
Excluded volume	65532 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`5fbz__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`5fbz__assembly_2__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`5fbz__assembly_3__model_1`	monomeric （1）	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	Enzyme subtilase SubHal from Bacillus halmapalus
Molecular weight formula_weight	45357.0 kDa
EC 编号 ec_number	3.4.21.14
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C
Atom count atom_count	8682

NDVARGIVKADVAQNNFGLYGQGQIVAVADTGLDTGRNDSSMHEAFRGKITALYALGRTNNANDPNGHGTHVAGSVLGNATNKGMAPQANLVFQSIMDSGGGLGGLPANLQTLFSQAYSAGARIHTNSWGAPVNGAYTTDSRNVDDYVRKNDMTILFAAGNEGPGSGTISAPGTAKNAITVGATENLRPSFGSYADNINHVAQFSSRGPTRDGRIKPDVMAPGTYILSARSSLAPDSSFWANHDSKYAYMGGTSMATPIVAGNVAQLREHFVKNRGVTPKPSLLKAALIAGAADVGLGFPNGNQGWGRVTLDKSLNVAFVNETSPLSTSQKATYSFTAQAGKPLKISLVWSDAPGSTTASLTLVNDLDLVITAPNGTKYVGNDFTAPYDNNWDGRNNVENVFINAPQSGTYTVEVQAYNVPVGPQTFSLAIVH

Source Source

Source organism organism	Bacillus halmapalus
NCBI taxonomy ID ncbi_taxonomy_id	79882
Host organism host_organism	Bacillus subtilis

Entity 2 Entity 2 polymer

Description description	Subtilisin-chymotrypsin inhibitor-2A
Molecular weight formula_weight	8107.4 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

TGAGDRHNLKTEWPELVGKSVEEAKKVILQDKPEAQIIVLPVGTIVTMEYRIDRVRLFVDKLDNIAEVPRVG

Source Source

Source organism organism	Hordeum vulgare
Common name common_name	Barley
NCBI taxonomy ID ncbi_taxonomy_id	4513
Host organism host_organism	Escherichia coli

Entity 3 Entity 3 polymer

Description description	Autoproteolytic fragment of enzyme subtilase SubHal
Molecular weight formula_weight	557.7 kDa
EC 编号 ec_number	3.4.21.14
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	E

KPSLL

Source Source

Source organism organism	Bacillus halmapalus
NCBI taxonomy ID ncbi_taxonomy_id	79882
Host organism host_organism	Bacillus subtilis

Entity 4 Entity 4 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	1098

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6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

Domain ID domain_id	d5fbza1
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	d5fbza2
Class class	b — All beta proteins
Fold Fold fold	b.18 — Galactose-binding domain-like
Superfamily Superfamily superfamily	b.18.1 — Galactose-binding domain-like
Family Family family	b.18.1.0 — automated matches

Domain ID domain_id	d5fbzb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.40 — CI-2 family of serine protease inhibitors
Superfamily Superfamily superfamily	d.40.1 — CI-2 family of serine protease inhibitors
Family Family family	d.40.1.1 — CI-2 family of serine protease inhibitors

Domain ID domain_id	d5fbzc1
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	d5fbzc2
Class class	b — All beta proteins
Fold Fold fold	b.18 — Galactose-binding domain-like
Superfamily Superfamily superfamily	b.18.1 — Galactose-binding domain-like
Family Family family	b.18.1.0 — automated matches

Domain ID domain_id	d5fbzd1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.40 — CI-2 family of serine protease inhibitors
Superfamily Superfamily superfamily	d.40.1 — CI-2 family of serine protease inhibitors
Family Family family	d.40.1.1 — CI-2 family of serine protease inhibitors

CATH v4.4 (6 domains)

Domain ID domain_id	5fbzA01
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	5fbzA02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	120 — Jelly Rolls
Homologous superfamily homologous superfamily	380 —

Domain ID domain_id	5fbzB00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	10 — Trypsin Inhibitor V; Chain A
Homologous superfamily homologous superfamily	10 — Trypsin Inhibitor V, subunit A

Domain ID domain_id	5fbzC01
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	5fbzC02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	120 — Jelly Rolls
Homologous superfamily homologous superfamily	380 —

Domain ID domain_id	5fbzD00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	10 — Trypsin Inhibitor V; Chain A
Homologous superfamily homologous superfamily	10 — Trypsin Inhibitor V, subunit A

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Unit-cell length a length_a	58.387 Å
Unit-cell length b length_b	151.411 Å
Unit-cell length c length_c	64.054 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	117.11 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.900 Å
Low-resolution limit resolution_low	19.970 Å
R factor r_factor	0.1250
R_work r_work	0.1288
R_free r_free	0.1810

Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A

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

Subtilisin-chymotrypsin inhibitor-2A

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

5fbz__assembly_2__model_1

5fbz__assembly_2__model_1 | I(q)

5fbz__assembly_2__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

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 polymer

Polymer Polymer

Source Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

CATH v4.4 (6 domains)

7. Citations (1)

Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A

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

Subtilisin-chymotrypsin inhibitor-2A

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

5fbz__assembly_2__model_1

5fbz__assembly_2__model_1 | I(q)

5fbz__assembly_2__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

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 polymer

Polymer Polymer

Source Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

CATH v4.4 (6 domains)

7. Citations (1)