SAXSdb — 8c0p

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

Regulatory protein BlaR1

Staphylococcus aureus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron × 1 water × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron × 1 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	BLAR_STAAU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–254； UniProt 332–585 Author chain B； PDBConstruct 1–254； UniProt 332–585

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	8c0p
Deposition date deposition_date	2022-12-19
Structure title title	Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor
Keywords keywords	Antibiotic resistance, Beta-lactam sensor of Staphylococcus aureus, MRSA, SIGNALING PROTEIN; SIGNALING PROTEIN
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.

8c0p__assembly_2__model_1

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

Download this curve (.dat)

8c0p__assembly_2__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

8c0p__assembly_2__model_1 | P(r) · Pending

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

Rg（Guinier）	18.85 Å
Rg (electron density)	17.58 Å
Total Rg	18.60 Å
Atom count	2105
Residues	251
Excluded volume	37279 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`8c0p__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`8c0p__assembly_2__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 (3)

Entity 1 Entity 1 polymer

Description description	Regulatory protein BlaR1
Molecular weight formula_weight	29770.4 kDa
Mutation mutation	K369A K370A K372A
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	4347

QSITDYNYKKPLHNDYQILDKSKIFGSNSGSFVMYSMAADAYYIYNEKESRKRYSPNSTYKIYLAMFGLDRHIINDENSRMSWNHKHYPFDAWNKEQDLNTAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGVLNGQ

Source Source

Source organism organism	Staphylococcus aureus
NCBI taxonomy ID ncbi_taxonomy_id	1280
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Molecular weight formula_weight	451.2 kDa
Mutation mutation	K369A K370A K372A
Source method src_method	man
Copy count entity_count	2

Source Source

Source organism organism	Staphylococcus aureus
NCBI taxonomy ID ncbi_taxonomy_id	1280
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	84

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Unit-cell length a length_a	46.904 Å
Unit-cell length b length_b	106.780 Å
Unit-cell length c length_c	56.278 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	108.09 °
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	1.970 Å
Low-resolution limit resolution_low	47.829 Å
R factor r_factor	—
R_work r_work	0.1950
R_free r_free	0.2367

Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor

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

Regulatory protein BlaR1

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

8c0p__assembly_2__model_1

8c0p__assembly_2__model_1 | I(q)

8c0p__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Source Source

Entity 3 Entity 3 water

7. Citations (1)

Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor

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

Regulatory protein BlaR1

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

8c0p__assembly_2__model_1

8c0p__assembly_2__model_1 | I(q)

8c0p__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Source Source

Entity 3 Entity 3 water

7. Citations (1)