SAXSdb — 1pxv

▼

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

cysteine protease

Staphylococcus aureus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	cysteine protease Inhibitor × 1 （Q9EYW6） SULFATE ION × 3 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	cysteine protease Inhibitor × 1 （Q9EYW6） SULFATE ION × 2 GUANIDINE × 1 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 4	cysteine protease Inhibitor × 2 （Q9EYW6） SULFATE ION × 5 GUANIDINE × 1 water × 4	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 4	cysteine protease Inhibitor × 2 （Q9EYW6） SULFATE ION × 5 GUANIDINE × 1 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SSPB_STAAU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 10–183； UniProt 220–393 Author chain B； PDBConstruct 10–183； UniProt 220–393

cysteine protease Inhibitor

Staphylococcus aureus

UniProt Q9EYW6

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	cysteine protease × 1 （Q70UQ8） SULFATE ION × 3 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	cysteine protease × 1 （Q70UQ8） SULFATE ION × 2 GUANIDINE × 1 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 4	cysteine protease × 2 （Q70UQ8） SULFATE ION × 5 GUANIDINE × 1 water × 4	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 4	cysteine protease × 2 （Q70UQ8） SULFATE ION × 5 GUANIDINE × 1 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SSPC_STAAU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 3–111； UniProt 1–109 Author chain D； PDBConstruct 3–111； UniProt 1–109

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	1pxv
Deposition date deposition_date	2003-07-07
Structure title title	The staphostatin-staphopain complex: a forward binding inhibitor in complex with its target cysteine protease
Keywords keywords	cysteine protease inhibitor, HYDROLASE; HYDROLASE
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.

1pxv__assembly_4__model_1

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

Download this curve (.dat)

1pxv__assembly_4__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

1pxv__assembly_4__model_1 | P(r) · Pending

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

Rg（Guinier）	32.45 Å
Rg (electron density)	32.16 Å
Total Rg	32.56 Å
Atom count	4845
Residues	588
Excluded volume	84445 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`1pxv__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`1pxv__assembly_2__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`1pxv__assembly_3__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`1pxv__assembly_4__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download

▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	cysteine protease
Molecular weight formula_weight	21062.1 kDa
EC 编号 ec_number	3.4.22.-
Mutation mutation	C243A
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	5303

GHHHHHHEFDQVQYENTLKNFKIREQQFDNSWAAGFSMAALLNATKNTDTYNAHDIMRTLYPEVSEQDLPNCATFPNQMIEYGKSQGRDIHYQEGVPSYNQVDQLTKDNVGIMILAQSVSQNPNDPHLGHALAVVGNAKINDQEKLIYWNPWDTELSIQDADSSLLHLSFNRDYNWYGSMIGY

Source Source

Source organism organism	Staphylococcus aureus
NCBI taxonomy ID ncbi_taxonomy_id	1280
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	cysteine protease Inhibitor
Molecular weight formula_weight	13074.6 kDa
EC 编号 ec_number	3.4.22.-
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

GSMYQLQFINLVYDTTKLTHLEQTNINLFIGNWSNHQLQKSICIRHGDDTSHNQYHILFIDTAHQRIKFSSFDNEEIIYILDYDDTQHILMQTSSKQGIGTSRPIVYERLV

Source Source

Source organism organism	Staphylococcus aureus
NCBI taxonomy ID ncbi_taxonomy_id	1280
Host organism host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 4 Entity 4 non-polymer

Description description	GUANIDINE
Molecular weight formula_weight	59.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	458

▼

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (8 domains)

Domain ID domain_id	d1pxva1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.3 — Cysteine proteinases
Superfamily Superfamily superfamily	d.3.1 — Cysteine proteinases
Family Family family	d.3.1.1 — Papain-like

Domain ID domain_id	d1pxva2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d1pxvb1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.3 — Cysteine proteinases
Superfamily Superfamily superfamily	d.3.1 — Cysteine proteinases
Family Family family	d.3.1.1 — Papain-like

Domain ID domain_id	d1pxvb2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d1pxvc1
Class class	b — All beta proteins
Fold Fold fold	b.61 — Streptavidin-like
Superfamily Superfamily superfamily	b.61.2 — beta-Barrel protease inhibitors
Family Family family	b.61.2.2 — Staphostatin

Domain ID domain_id	d1pxvc2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d1pxvd1
Class class	b — All beta proteins
Fold Fold fold	b.61 — Streptavidin-like
Superfamily Superfamily superfamily	b.61.2 — beta-Barrel protease inhibitors
Family Family family	b.61.2.2 — Staphostatin

Domain ID domain_id	d1pxvd2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id	1pxvA00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	70 — Cathepsin B; Chain A
Homologous superfamily homologous superfamily	10 — Cysteine proteinases

Domain ID domain_id	1pxvB00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	70 — Cathepsin B; Chain A
Homologous superfamily homologous superfamily	10 — Cysteine proteinases

Domain ID domain_id	1pxvC00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	310 — Staphostatins
Homologous superfamily homologous superfamily	10 — beta-Barrel protease inhibitors

Domain ID domain_id	1pxvD00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	310 — Staphostatins
Homologous superfamily homologous superfamily	10 — beta-Barrel protease inhibitors

▶

Unit-cell length a length_a	73.485 Å
Unit-cell length b length_b	94.966 Å
Unit-cell length c length_c	110.927 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	8

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.800 Å
Low-resolution limit resolution_low	10.000 Å
R factor r_factor	0.1921
R_work r_work	0.1905
R_free r_free	0.2213

The staphostatin-staphopain complex: a forward binding inhibitor in complex with its target cysteine protease

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

cysteine protease

State in the Current Structure

Other States of the Same Protein in the Database

cysteine protease 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

1pxv__assembly_4__model_1

1pxv__assembly_4__model_1 | I(q)

1pxv__assembly_4__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 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (8 domains)

CATH v4.4 (4 domains)

7. Citations (4)

The staphostatin-staphopain complex: a forward binding inhibitor in complex with its target cysteine protease

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

cysteine protease

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

cysteine protease 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

1pxv__assembly_4__model_1

1pxv__assembly_4__model_1 | I(q)

1pxv__assembly_4__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 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (8 domains)

CATH v4.4 (4 domains)

7. Citations (4)