SAXSdb — 1b0n

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

PROTEIN (SINR PROTEIN)

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–111	Not recorded	PROTEIN (SINI PROTEIN) × 1 （P23308） ZN ZINC ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 1–111	Not recorded	PROTEIN (SINI PROTEIN) × 2 （P23308） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
3	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 1–111	Not recorded	PROTEIN (SINI PROTEIN) × 2 （P23308） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
4	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 1–111	Not recorded	PROTEIN (SINI PROTEIN) × 2 （P23308） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
5	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 1–111	Not recorded	PROTEIN (SINI PROTEIN) × 2 （P23308） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
6	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 1–111	Not recorded	PROTEIN (SINI PROTEIN) × 2 （P23308） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245

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 1B0N	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2YAL SinR, Master Regulator of biofilm formation in Bacillus subtilis Deposited 2011-02-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 75–111（37 aa） Fragment：OLIGOMERISATION DOMAIN, RESIDUES 75-111 Chain B 75–111（37 aa） Fragment：OLIGOMERISATION DOMAIN, RESIDUES 75-111	Not recorded	NI NICKEL (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；18% PEG MME2000, 0.16 M TRIS PH 8.5,0.01 M NI(II) CHLORIDE, 0.1 M MGCL2.	Resolution 2.27 Å R-free 0.435
3QQ6 The N-terminal DNA binding domain of SinR from Bacillus subtilis Deposited 2011-02-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–69（69 aa） Fragment：N-terminal domain of SinR residues 1-69 Chain B 1–69（69 aa） Fragment：N-terminal domain of SinR residues 1-69	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M TRIS pH 8.5, 27% PEG3350, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.90 Å R-free 0.256
3QQ6 The N-terminal DNA binding domain of SinR from Bacillus subtilis Deposited 2011-02-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–69（69 aa） Fragment：N-terminal domain of SinR residues 1-69	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M TRIS pH 8.5, 27% PEG3350, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.90 Å R-free 0.256
3QQ6 The N-terminal DNA binding domain of SinR from Bacillus subtilis Deposited 2011-02-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–69（69 aa） Fragment：N-terminal domain of SinR residues 1-69	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M TRIS pH 8.5, 27% PEG3350, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.90 Å R-free 0.256
3ZKC Crystal structure of the master regulator for biofilm formation SinR in complex with DNA. Deposited 2013-01-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric	Chain A 1–111（111 aa） Chain B 1–111（111 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；0.01M ZNCL2, 0.1M SODIUM ACTEATE, PH 5.0, 20% (W/V) PEG 6000	Resolution 3.00 Å R-free 0.264
5TN0 Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis Deposited 2016-10-13	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–69（69 aa） Fragment：residues 1-69	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；293 K；Ionic strength (raw mmCIF value) 200；Pressure 1 NMR sample composition 1 mM [U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-13C; U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-13C; U-15N] SinRN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 100% D2O \| 100% D2O	Resolution not provided
5TN2 Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis Deposited 2016-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 69–111（43 aa） Fragment：residues 69-111 Chain B 69–111（43 aa） Fragment：residues 69-111 Chain C 69–111（43 aa） Fragment：residues 69-111 Chain D 69–111（43 aa） Fragment：residues 69-111	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；293 K；Ionic strength (raw mmCIF value) 200；Pressure 1 NMR sample composition 1 mM [U-15N] SinRC, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-13C; U-15N] SinRC, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-13C; U-15N] SinRC, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 100% D2O \| 100% D2O	Resolution not provided

5 other PDB entries and 7 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SINR_BACSU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–111； UniProt 1–111

PROTEIN (SINI PROTEIN)

Bacillus subtilis

UniProt P23308

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 1–57	Not recorded	PROTEIN (SINR PROTEIN) × 1 （P06533） ZN ZINC ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 1–57	Not recorded	PROTEIN (SINR PROTEIN) × 2 （P06533） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
3	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 1–57	Not recorded	PROTEIN (SINR PROTEIN) × 2 （P06533） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
4	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 1–57	Not recorded	PROTEIN (SINR PROTEIN) × 2 （P06533） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
5	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 1–57	Not recorded	PROTEIN (SINR PROTEIN) × 2 （P06533） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245
6	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 1–57	Not recorded	PROTEIN (SINR PROTEIN) × 2 （P06533） ZN ZINC ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6.00	Resolution 1.90 Å R-free 0.245

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 1B0N	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5TMX Solution Structure of SinI, antagonist to the master biofilm-regulator SinR in Bacillus subtilis Deposited 2016-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–57（57 aa） Fragment：residues 1-57 Chain B 1–57（57 aa） Fragment：residues 1-57	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；293 K；Ionic strength (raw mmCIF value) 200；Pressure 1 NMR sample composition 1 mM [U-15N] SinI, 20 mM MES, 200 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-13C; U-15N] SinI, 20 mM MES, 200 mM NaCl, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-13C; U-15N] SinI, 20 mM MES, 200 mM NaCl, 100% D2O \| 100% 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	SINI_BACSU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–57； UniProt 1–57

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	1b0n
Deposition date deposition_date	1998-11-11
Structure title title	SINR PROTEIN/SINI PROTEIN COMPLEX
Keywords keywords	TRANSCRIPTION REGULATOR, ANTAGONIST, SPORULATION; TRANSCRIPTION REGULATOR
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	17.10 Å
Radius of gyration Rg (electron density) rg_electron	16.42 Å
Forward intensity I(0) i0	5063370.00
Molecular weight molecular_weight	16051.0 kDa
Excluded volume excluded_volume	19975 Å³
Envelope volume envelope_volume	22762 Å³
Hydration-shell volume shell_volume	12328 Å³
Envelope diameter envelope_diameter	55.4 Å
Shell Rg shell_rg	21.25 Å
Envelope Rg envelope_rg	16.63 Å
Shape Rg shape_rg	16.44 Å
Total Rg total_rg	17.22 Å
Total atoms total_atoms	1113
Residues n_residues	134
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	56.4 Å
Rg (real space) rg_real	17.12 Å
Rg uncertainty (real space) rg_real_error	0.39 Å
I(0) (real space) i0_real	5.0630e+06
I(0) uncertainty (real space) i0_real_error	6.4350e+04
Rg (reciprocal space) rg_reciprocal	17.12 Å
I(0) (reciprocal space) i0_reciprocal	5063000.0000
Solution quality estimate total_estimate	0.7949
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	18.6 Å
Skewness Skewness skewness	0.377
Kurtosis Kurtosis kurtosis	-0.331
Angular range angular_range	— – 0.4650 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1096000.0000
Real-space data points n_real_points	77
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.784; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	PROTEIN (SINR PROTEIN)
Molecular weight formula_weight	13009.6 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1234

MIGQRIKQYRKEKGYSLSELAEKAGVAKSYLSSIERNLQTNPSIQFLEKVSAVLDVSVHTLLDEKHETEYDGQLDSEWEKLVRDAMTSGVSKKQFREFLDYQKWRKSQKEE

来源 Source

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)

Entity 2 Entity 2 polymer

Description description	PROTEIN (SINI PROTEIN)
Molecular weight formula_weight	6612.5 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MKNAKQEHFELDQEWVELMVEAKEANISPEEIRKYLLLNKKSAHPGPAARSHTVNPF

来源 Source

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)

Entity 3 Entity 3 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	117

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d1b0na1
Class class	a — All alpha proteins
Fold Fold fold	a.34 — Dimerisation interlock
Superfamily Superfamily superfamily	a.34.1 — SinR repressor dimerisation domain-like
Family Family family	a.34.1.1 — SinR repressor dimerisation domain-like

Domain ID domain_id	d1b0na2
Class class	a — All alpha proteins
Fold Fold fold	a.35 — lambda repressor-like DNA-binding domains
Superfamily Superfamily superfamily	a.35.1 — lambda repressor-like DNA-binding domains
Family Family family	a.35.1.3 — SinR domain-like

Domain ID domain_id	d1b0nb_
Class class	a — All alpha proteins
Fold Fold fold	a.34 — Dimerisation interlock
Superfamily Superfamily superfamily	a.34.1 — SinR repressor dimerisation domain-like
Family Family family	a.34.1.1 — SinR repressor dimerisation domain-like

CATH v4.4 (1 domains)

Domain ID domain_id	1b0nA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	260 — 434 Repressor (Amino-terminal Domain)
Homologous superfamily homologous superfamily	40 — lambda repressor-like DNA-binding domains

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8. Citations (1)

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Unit-cell length a length_a	60.900 Å
Unit-cell length b length_b	60.900 Å
Unit-cell length c length_c	87.740 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	6

Space group space_group	P 31 2 1
Space-group number int_tables_number	152
Crystal system crystal_system	—

Resolution resolution	1.900 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	—
R_work r_work	0.1990
R_free r_free	0.2450

fit	/app/data/saxs_computation/b0/1b0n/1b0n.fit
pddf	/app/data/pr_computation/b0/1b0n/1b0n.pr.out
profile	/app/data/saxs_computation/b0/1b0n/1b0n.dat

SINR PROTEIN/SINI PROTEIN COMPLEX

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

PROTEIN (SINR PROTEIN)

State in the Current Structure

Other States of the Same Protein in the Database

PROTEIN (SINI PROTEIN)

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

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (3 domains)

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)