SAXSdb — 1e0r

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

THERMOSOME

THERMOPLASMA ACIDOPHILUM

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 214–367	Fragment：SUBSTRATE-BINDING DOMAIN Mutation：YES	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 9.1；pH 9.10	Resolution 2.80 Å R-free 0.318

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 1E0R	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A6D THERMOSOME FROM T. ACIDOPHILUM Deposited 1998-02-24	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain B 1–543（543 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；pH 5.6	Resolution 2.60 Å R-free 0.298
1A6D THERMOSOME FROM T. ACIDOPHILUM Deposited 1998-02-24	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain B 1–543（543 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；pH 5.6	Resolution 2.60 Å R-free 0.298
1A6E THERMOSOME-MG-ADP-ALF3 COMPLEX Deposited 1998-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain B 1–543（543 aa）	Not recorded	MG MAGNESIUM ION × 16 ADP ADENOSINE-5'-DIPHOSPHATE × 16 AF3 ALUMINUM FLUORIDE × 16	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；pH 5.6	Resolution 3.20 Å R-free 0.285
1A6E THERMOSOME-MG-ADP-ALF3 COMPLEX Deposited 1998-02-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain B 1–543（543 aa）	Not recorded	MG MAGNESIUM ION × 8 ADP ADENOSINE-5'-DIPHOSPHATE × 8 AF3 ALUMINUM FLUORIDE × 8	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；pH 5.6	Resolution 3.20 Å R-free 0.285

2 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	THSB_THEAC
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain B； PDBConstruct 1–154； UniProt 214–367

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	1e0r
Deposition date deposition_date	2000-04-06
Structure title title	Beta-apical domain of thermosome
Keywords keywords	CHAPERONIN, HSP60, THERMOSOME, TCP1, GROEL, THERMOPLASMA ACIDOPHILUM; CHAPERONIN
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	18.11 Å
Radius of gyration Rg (electron density) rg_electron	17.16 Å
Forward intensity I(0) i0	5334940.00
Molecular weight molecular_weight	16595.0 kDa
Excluded volume excluded_volume	20787 Å³
Envelope volume envelope_volume	24619 Å³
Hydration-shell volume shell_volume	13190 Å³
Envelope diameter envelope_diameter	72.6 Å
Shell Rg shell_rg	22.13 Å
Envelope Rg envelope_rg	17.92 Å
Shape Rg shape_rg	17.19 Å
Total Rg total_rg	17.97 Å
Total atoms total_atoms	1160
Residues n_residues	154
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	71.0 Å
Rg (real space) rg_real	18.30 Å
Rg uncertainty (real space) rg_real_error	0.64 Å
I(0) (real space) i0_real	5.3350e+06
I(0) uncertainty (real space) i0_real_error	7.6610e+04
Rg (reciprocal space) rg_reciprocal	18.28 Å
I(0) (reciprocal space) i0_reciprocal	5335000.0000
Solution quality estimate total_estimate	0.7573
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	20.2 Å
Skewness Skewness skewness	0.698
Kurtosis Kurtosis kurtosis	0.400
Angular range angular_range	— – 0.4400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1017000.0000
Real-space data points n_real_points	75
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.381; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.709; 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	d1e0rb_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
Superfamily Superfamily superfamily	c.8.5 — GroEL apical domain-like
Family Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

CATH v4.4 (1 domains)

Domain ID domain_id	1e0rB00
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

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8. Citations (3)

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Unit-cell length a length_a	57.320 Å
Unit-cell length b length_b	57.320 Å
Unit-cell length c length_c	106.140 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 32 2 1
Space-group number int_tables_number	154
Crystal system crystal_system	—

Resolution resolution	2.800 Å
Low-resolution limit resolution_low	15.000 Å
R factor r_factor	0.2610
R_work r_work	0.2610
R_free r_free	0.3180

Description description	THERMOSOME
Molecular weight formula_weight	17763.4 kDa
Mutation mutation	YES
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	B
Atom count atom_count	1160

Beta-apical domain of thermosome

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

THERMOSOME

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 (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 (3)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	THERMOPLASMA ACIDOPHILUM
NCBI Class编号 ncbi_taxonomy_id	2303
宿主生物 host_organism	ESCHERICHIA COLI

fit	/app/data/saxs_computation/e0/1e0r/1e0r.fit
pddf	/app/data/pr_computation/e0/1e0r/1e0r.pr.out
profile	/app/data/saxs_computation/e0/1e0r/1e0r.dat