SAXSdb — 1asx

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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 A； UniProt 214–365	Fragment：ALPHA SUBUNIT, APICAL DOMAIN, SUBSTRATE-BINDING DOMAIN	PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：pH 3.5；pH 3.5	Resolution 2.80 Å R-free 0.272

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 1ASX	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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain A 1–545（545 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–545（545 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric	Chain A 1–545（545 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–545（545 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
1ASS APICAL DOMAIN OF THE CHAPERONIN FROM THERMOPLASMA ACIDOPHILUM Deposited 1997-08-11	Different construct Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 214–365（152 aa） Fragment：ALPHA-SUBUNIT, APICAL DOMAIN, SUBSTRATE-BINDING DOMAIN	Not recorded	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 3.5；pH 3.5	Resolution 2.30 Å R-free 0.251

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

View Construct and Data Evidence

UniProt name	THSA_THEAC
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–153； UniProt 214–365

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	1asx
Deposition date deposition_date	1997-08-11
Structure title title	APICAL DOMAIN OF THE CHAPERONIN FROM THERMOPLASMA ACIDOPHILUM
Keywords keywords	CHAPERONIN, HSP60, THERMOSOME, TCP1, GROEL, THERMOPLASMA ACIDOPHILUM, ATP-BINDING; 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	17.66 Å
Radius of gyration Rg (electron density) rg_electron	16.73 Å
Forward intensity I(0) i0	5547330.00
Molecular weight molecular_weight	16931.0 kDa
Excluded volume excluded_volume	21288 Å³
Envelope volume envelope_volume	25128 Å³
Hydration-shell volume shell_volume	13491 Å³
Envelope diameter envelope_diameter	63.5 Å
Shell Rg shell_rg	21.84 Å
Envelope Rg envelope_rg	17.34 Å
Shape Rg shape_rg	16.72 Å
Total Rg total_rg	17.71 Å
Total atoms total_atoms	1180
Residues n_residues	152
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	48.6 Å
Rg (real space) rg_real	16.85 Å
Rg uncertainty (real space) rg_real_error	0.08 Å
I(0) (real space) i0_real	5.3000e+06
I(0) uncertainty (real space) i0_real_error	5.0920e+04
Rg (reciprocal space) rg_reciprocal	17.74 Å
I(0) (reciprocal space) i0_reciprocal	5547000.0000
Solution quality estimate total_estimate	0.6753
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	20.1 Å
Skewness Skewness skewness	0.371
Kurtosis Kurtosis kurtosis	-0.200
Angular range angular_range	— – 0.4500 Å⁻¹
Current regularization parameter α current_alpha	4.2140
Highest regularization parameter α highest_alpha	762500.0000
Real-space data points n_real_points	76
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 0.980; Sysdev: 0.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	THERMOSOME
Molecular weight formula_weight	17822.6 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	1186

MSGIVIDKEKVHSKMPDVVKNAKIALIDSALEIKKTEIEAKVQISDPSKIQDFLNQETNTFKQMVEKIKKSGANVVLCQKGIDDVAQHYLAKEGIYAVRRVKKSDMEKLAKATGAKIVTDLDDLTPSVLGEAETVEERKIGDDRMTFVMGCKNHHHHHH

来源 Source

来源生物 organism	Thermoplasma acidophilum
NCBI Class编号 ncbi_taxonomy_id	2303
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	6

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1asxa_
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	1asxA00
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 (1)

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Unit-cell length a length_a	79.910 Å
Unit-cell length b length_b	79.910 Å
Unit-cell length c length_c	70.250 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	2.800 Å
Low-resolution limit resolution_low	10.000 Å
R factor r_factor	0.2220
R_work r_work	0.2220
R_free r_free	0.2720

fit	/app/data/saxs_computation/as/1asx/1asx.fit
pddf	/app/data/pr_computation/as/1asx/1asx.pr.out
profile	/app/data/saxs_computation/as/1asx/1asx.dat

APICAL DOMAIN OF THE CHAPERONIN FROM THERMOPLASMA ACIDOPHILUM

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