1buz

SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS NMR, MINIMIZED AVERAGE STRUCTURE

Method: SOLUTION NMR D_max: 46.3 Å Quality: GOOD

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

SPOIIAA

Bacillus subtilis

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 1–116	Not recorded	No other associated polymer	SOLUTION NMR NMR measurement conditions：pH 6.4；298 K；Pressure 1 NMR sample composition：1.0 mM SpoIIAA protein, 25 mM NaCl/25 mM K2HPO4/1 mM DTT, pH 7.0, 95% H2O/5% D2O \| 95% H2O/5% D2O NMR sample composition：0.7 mM [U-15N] SpoIIAA protein, 25 mM NaCl/25 mM K2HPO4/1 mM DTT, pH 7.0, 95% H2O/5% D2O \| 95% H2O/5% D2O NMR sample composition：0.7 mM [U-13C; U-15N] SpoIIAA protein, 25 mM NaCl/25 mM K2HPO4/1 mM DTT, pH 7.0, 95% H2O/5% D2O \| 95% H2O/5% D2O	Resolution not provided

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 1BUZ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1AUZ SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS, NMR, 24 STRUCTURES Deposited 1997-09-08	Parsed fields agree	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–116（116 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.4；298 K；Pressure 1 NMR sample composition 1.0 mM SpoIIAA protein, 25 mM NaCl/25 mM K2HPO4/1 mM DTT, pH 7.0, 95% H2O/5% D2O \| 95% H2O/5% D2O NMR sample composition 0.7 mM [U-15N] SpoIIAA protein, 25 mM NaCl/25 mM K2HPO4/1 mM DTT, pH 7.0, 95% H2O/5% D2O \| 95% H2O/5% D2O NMR sample composition 0.7 mM [U-13C; U-15N] SpoIIAA protein, 25 mM NaCl/25 mM K2HPO4/1 mM DTT, pH 7.0, 95% H2O/5% D2O \| 95% H2O/5% D2O	Resolution not provided

1 other PDB entries and 1 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SP2AA_BACSU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–116； UniProt 1–116

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.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1buz
Deposition date deposition_date	1997-09-08
Structure title title	SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS NMR, MINIMIZED AVERAGE STRUCTURE
Keywords keywords	TRANSCRIPTION REGULATOR, KINASE SUBSTRATE, ANTI-ANTI SIGMA FACTOR, NOVEL ALPHA/BETA FOLD, SPORULATION, PHOSPHORYLATION; TRANSCRIPTION REGULATOR
Experimental Method method	SOLUTION NMR

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	14.93 Å
Radius of gyration Rg (electron density) rg_electron	13.29 Å
Forward intensity I(0) i0	3308790.00
Molecular weight molecular_weight	12840.0 kDa
Excluded volume excluded_volume	16222 Å³
Envelope volume envelope_volume	18288 Å³
Hydration-shell volume shell_volume	11682 Å³
Envelope diameter envelope_diameter	44.0 Å
Shell Rg shell_rg	19.01 Å
Envelope Rg envelope_rg	13.53 Å
Shape Rg shape_rg	13.29 Å
Total Rg total_rg	14.59 Å
Total atoms total_atoms	1836
Residues n_residues	116
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	46.3 Å
Rg (real space) rg_real	14.81 Å
Rg uncertainty (real space) rg_real_error	0.21 Å
I(0) (real space) i0_real	3.3090e+06
I(0) uncertainty (real space) i0_real_error	3.8210e+04
Rg (reciprocal space) rg_reciprocal	14.82 Å
I(0) (reciprocal space) i0_reciprocal	3309000.0000
Solution quality estimate total_estimate	0.8946
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	45.7 Å
Skewness Skewness skewness	0.056
Kurtosis Kurtosis kurtosis	-0.413
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	633900.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.884; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.990

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1buza_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.13 — SpoIIaa-like
Superfamily Superfamily superfamily	c.13.2 — SpoIIaa-like
Family Family family	c.13.2.1 — Anti-sigma factor antagonist SpoIIaa

CATH v4.4 (1 domains)

Domain ID domain_id	1buzA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	750 — Transcription Regulator spoIIAA
Homologous superfamily homologous superfamily	24 — STAS domain

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8. Citations (6)

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Unit-cell length a length_a	1.000 Å
Unit-cell length b length_b	1.000 Å
Unit-cell length c length_c	1.000 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	1

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

Description description	SPOIIAA
Molecular weight formula_weight	12875.0 kDa
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1836

来源生物 organism	Bacillus subtilis
NCBI Class编号 ncbi_taxonomy_id	1423
宿主生物 host_organism	Escherichia coli BL21(DE3)

SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS NMR, MINIMIZED AVERAGE STRUCTURE

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

SPOIIAA

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

6. Entities and Polymers Entities & Polymers (1)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

CATH v4.4 (1 domains)

8. Citations (6)

9. Files and Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/bu/1buz/1buz.fit
pddf	/app/data/pr_computation/bu/1buz/1buz.pr.out
profile	/app/data/saxs_computation/bu/1buz/1buz.dat