SAXSdb — 7nt7

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

Toll-like receptor 1

Homo sapiens

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 625–786	Not recorded	No other associated polymer	SOLUTION NMR NMR measurement conditions：pH 6.3；308 K；Ionic strength (raw mmCIF value) 50；Pressure AMBIENT NMR sample composition：0.8 mM [U-100% 13C; U-100% 15N] TLR1-TIR, 20 mM PIPES, 25 mM sodium chloride, 3 mM TCEP, 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 7NT7	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1FYV CRYSTAL STRUCTURE OF THE TIR DOMAIN OF HUMAN TLR1 Deposited 2000-10-03	Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 625–785（161 aa） Fragment：TIR DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；100 mM Tris, 1.2M NaH2PO4/K2HPO4 5 mM DTT, 20% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 21K	Resolution 2.90 Å R-free 0.296
2Z7X Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide Deposited 2007-08-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain B 25–476（452 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PLM PALMITIC ACID × 1 Z41 (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；0.2M sodium citrate, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 2.10 Å R-free 0.270
6NIH Crystal structure of human TLR1 Deposited 2018-12-27	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–475（475 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium citrate tribasic pH7.0, 0.1 M imidazole pH7.5 and 18% PEG1900 MME	Resolution 2.30 Å R-free 0.274
6NIH Crystal structure of human TLR1 Deposited 2018-12-27	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–475（475 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium citrate tribasic pH7.0, 0.1 M imidazole pH7.5 and 18% PEG1900 MME	Resolution 2.30 Å R-free 0.274
7NUW Crystal structure of the TIR domain of human TLR1 (crystallised with Zn2+ ions) Deposited 2021-03-15	Different construct Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 625–785（161 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；277 K；170 mM Ammonium acetate, 85 mM Sodium citrate tribasic dihydrate pH 5.6, 25.5% w/v Polyethylene glycol 4,000, 15% v/v glycerol (#9 from HR2-122 Hampton) + Zinc chloride(molar ratio zinc chloride:protein 1:1). Growth at +4 for 3-4 months.	Resolution 1.90 Å R-free 0.245
7NUX Crystal structure of the TIR domain of human TLR1 (crystallised without ZN2+ ions) Deposited 2021-03-15	Different construct Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 625–785（161 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；277 K；170 mM Ammonium acetate, 85 mM Sodium citrate tribasic dihydrate pH 5.6, 25.5% w/v Polyethylene glycol 4,000, 15% v/v glycerol (#9 from HR2-122 Hampton) Growth at +4 for 3-4 months.	Resolution 2.47 Å R-free 0.279

5 other PDB entries and 6 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	TLR1_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–163； UniProt 625–786

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	7nt7
Deposition date deposition_date	2021-03-09
Structure title title	Solution structure of toll like receptor 1 (TLR1) TIR domain
Keywords keywords	PROTEIN, TLR, toll like receptor, TIR domain, TLR1, SIGNALING PROTEIN; SIGNALING PROTEIN
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	18.02 Å
Radius of gyration Rg (electron density) rg_electron	17.61 Å
Forward intensity I(0) i0	1842160000.00
Molecular weight molecular_weight	383260.0 kDa
Excluded volume excluded_volume	486790 Å³
Envelope volume envelope_volume	65424 Å³
Hydration-shell volume shell_volume	24537 Å³
Envelope diameter envelope_diameter	77.1 Å
Shell Rg shell_rg	29.61 Å
Envelope Rg envelope_rg	23.84 Å
Shape Rg shape_rg	17.57 Å
Total Rg total_rg	18.00 Å
Total atoms total_atoms	54200
Residues n_residues	3260
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	70.9 Å
Rg (real space) rg_real	18.07 Å
Rg uncertainty (real space) rg_real_error	0.77 Å
I(0) (real space) i0_real	1.8420e+09
I(0) uncertainty (real space) i0_real_error	2.8860e+07
Rg (reciprocal space) rg_reciprocal	18.06 Å
I(0) (reciprocal space) i0_reciprocal	1842000000.0000
Solution quality estimate total_estimate	0.7614
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.0 Å
Skewness Skewness skewness	0.546
Kurtosis Kurtosis kurtosis	0.486
Angular range angular_range	— – 0.4400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1189000.0000
Real-space data points n_real_points	75
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.339; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.883; Smooth: 0.994

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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) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	7nt7A01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	10140 — Toll/interleukin-1 receptor homology (TIR) domain

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8. Citations (1)

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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	—

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

Description description	Toll-like receptor 1
Molecular weight formula_weight	19204.1 kDa
EC 编号 ec_number	3.2.2.6
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	54200

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Solution structure of toll like receptor 1 (TLR1) TIR domain

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

Toll-like receptor 1

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) 1 domains

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/nt/7nt7/7nt7.fit
pddf	/app/data/pr_computation/nt/7nt7/7nt7.pr.out
profile	/app/data/saxs_computation/nt/7nt7/7nt7.dat