1jlo

Solution Structure of the Noncompetitive Skeletal Muscle Nicotinic Acetylcholine Receptor Antagonist Psi-conotoxin PIIIE

Method: SOLUTION NMR D_max: 28.9 Å Quality: GOOD

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

PSI-CONOTOXIN PIIIE

OrganismNot specified

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 3–26	Non-standard monomer：Yes (specific site not provided by mmCIF)	No other associated polymer	SOLUTION NMR NMR measurement conditions：pH 3.48；277 K；Ionic strength (raw mmCIF value) 16 mM; hexa-TFA salt；Pressure ambient NMR measurement conditions：pH 3.48；295 K；Ionic strength (raw mmCIF value) 16 mM; hexa-TFA salt；Pressure ambient NMR sample composition：16 mM psi-conotoxin PIIIE [4,21] 3-13C-Cys; TFA added to pH 3.5 \| 90% H2O/10% D2O NMR sample composition：16 mM psi-conotoxin PIIIE [4,21] 3-13C-Cys \| 100% 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 1JLO	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1AS5 SOLUTION STRUCTURE OF CONOTOXIN Y-PIIIE FROM CONUS PURPURASCENS, NMR, 14 STRUCTURES Deposited 1997-08-13	Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 3–26（24 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 3.5；277 K；Ionic strength (raw mmCIF value) 6 mM；Pressure 1 NMR sample composition H2O/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	CXP3E_CONPU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–24； UniProt 3–26

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	1jlo
Deposition date deposition_date	2001-07-16
Structure title title	Solution Structure of the Noncompetitive Skeletal Muscle Nicotinic Acetylcholine Receptor Antagonist Psi-conotoxin PIIIE
Keywords keywords	MULTIPLE DISULFIDE BONDS, AMIDATED C-TERMINUS, TOXIN; TOXIN
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	7.67 Å
Radius of gyration Rg (electron density) rg_electron	8.07 Å
Forward intensity I(0) i0	26277800.00
Molecular weight molecular_weight	35493.0 kDa
Excluded volume excluded_volume	41725 Å³
Envelope volume envelope_volume	5347 Å³
Hydration-shell volume shell_volume	5413 Å³
Envelope diameter envelope_diameter	30.9 Å
Shell Rg shell_rg	13.84 Å
Envelope Rg envelope_rg	9.75 Å
Shape Rg shape_rg	8.14 Å
Total Rg total_rg	8.15 Å
Total atoms total_atoms	4641
Residues n_residues	273
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	28.9 Å
Rg (real space) rg_real	7.69 Å
Rg uncertainty (real space) rg_real_error	0.26 Å
I(0) (real space) i0_real	2.6280e+07
I(0) uncertainty (real space) i0_real_error	2.6140e+05
Rg (reciprocal space) rg_reciprocal	7.69 Å
I(0) (reciprocal space) i0_reciprocal	26280000.0000
Solution quality estimate total_estimate	0.8225
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	9.5 Å
Skewness Skewness skewness	0.414
Kurtosis Kurtosis kurtosis	0.103
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	8209.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.652; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.804; Smooth: 0.927

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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

SCOP 2.08 (1 domains)

Domain ID domain_id	d1jloa_
Class class	j — Peptides
Fold Fold fold	j.30 — Conotoxins
Superfamily Superfamily superfamily	j.30.1 — Conotoxins
Family Family family	j.30.1.4 — psi-conotoxin

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8. Citations (3)

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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	PSI-CONOTOXIN PIIIE
Molecular weight formula_weight	2727.2 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	4641

fit	/app/data/saxs_computation/jl/1jlo/1jlo.fit
pddf	/app/data/pr_computation/jl/1jlo/1jlo.pr.out
profile	/app/data/saxs_computation/jl/1jlo/1jlo.dat

Solution Structure of the Noncompetitive Skeletal Muscle Nicotinic Acetylcholine Receptor Antagonist Psi-conotoxin PIIIE

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

PSI-CONOTOXIN PIIIE

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

7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

8. Citations (3)

9. Files and Curves (10)

Files (7)

Curves (3)