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1chl

NMR SEQUENTIAL ASSIGNMENTS AND SOLUTION STRUCTURE OF CHLOROTOXIN, A SMALL SCORPION TOXIN THAT BLOCKS CHLORIDE CHANNELS

Method: SOLUTION NMR Dmax: 34.3 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

CHLOROTOXIN

Leiurus quinquestriatus

UniProt P45639

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 1–36 Not recorded No other associated polymer SOLUTION NMR mmCIF provides none of the parsed experimental conditions 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 1CHL Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
5L1C Heteronuclear Solution Structure of Chlorotoxin Deposited 2016-07-28 Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–36（36 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.8；298 K；Ionic strength (raw mmCIF value) 20；Pressure 1
NMR sample composition 370 uM [U-13C; U-15N] Chlorotoxin, 20 mM sodium phosphate, 5 % D2O, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
6ATW Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox Deposited 2017-08-29 Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–36（36 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；1.1 M Na malonate pH 7.0, 0.1 M HEPES pH 7.0, 0.5 % Jeffamine ED-2001 pH 7.0
Resolution 1.53 Å R-free 0.178
7SOH Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox Deposited 2021-10-30 Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–36（36 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M tri-Potassium Citrate, 20% (w/v) PEG3350
Resolution 1.81 Å R-free 0.212
7X41 Crystal structure of chlorotoxin, a glioma specific scorpion toxin Deposited 2022-03-01 Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–36（36 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1 M monosodium phosphate and 0.75 M sodium citrate
Resolution 1.15 Å R-free 0.157
7X43 Crystal structure of chlorotoxin mutant - M1R Deposited 2022-03-01 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 1–36（36 aa）
Mutation：M1R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1 M monosodium phosphate and 0.75 M sodium citrate
Resolution 1.04 Å R-free 0.146
7X44 Crystal structure of chlorotoxin mutant - Q11N Deposited 2022-03-01 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 1–36（36 aa）
Mutation：Q11N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1 M monosodium phosphate and 0.75 M sodium citrate
Resolution 1.04 Å R-free 0.133
7X4D Crystal structure of chlorotoxin mutant - Y29K Deposited 2022-03-02 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 1–36（36 aa）
Mutation：Y29K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1 M monosodium phosphate and 0.75 M sodium citrate
Resolution 1.55 Å R-free 0.187
8C5G Structure of human Neuropilin-1 b1b2 domains in complex with Chlorotoxin (Leiurus quinquestriatus) Deposited 2023-01-09 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–36（36 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.04M Potassium phosphate monobasic 16 % w/v PEG 8000 20 % v/v Glycerol (JCSG Plus: D12)
Resolution 2.70 Å R-free 0.314
8C5G Structure of human Neuropilin-1 b1b2 domains in complex with Chlorotoxin (Leiurus quinquestriatus) Deposited 2023-01-09 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–36（36 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.04M Potassium phosphate monobasic 16 % w/v PEG 8000 20 % v/v Glycerol (JCSG Plus: D12)
Resolution 2.70 Å R-free 0.314

8 other PDB entries and 9 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SCXL_LEIQU
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–36； UniProt 1–36

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

SAXS profile for 1chl

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1chl
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1chl
Deposition date deposition_date1994-11-09
Structure title titleNMR SEQUENTIAL ASSIGNMENTS AND SOLUTION STRUCTURE OF CHLOROTOXIN, A SMALL SCORPION TOXIN THAT BLOCKS CHLORIDE CHANNELS
Keywords keywordsNEUROTOXIN; NEUROTOXIN
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier9.12 Å
Radius of gyration Rg (electron density) rg_electron9.17 Å
Forward intensity I(0) i016970600.00
Molecular weight molecular_weight28055.0 kDa
Excluded volume excluded_volume32998 ų
Envelope volume envelope_volume8593 ų
Hydration-shell volume shell_volume7333 ų
Envelope diameter envelope_diameter34.2 Å
Shell Rg shell_rg15.64 Å
Envelope Rg envelope_rg10.80 Å
Shape Rg shape_rg9.23 Å
Total Rg total_rg9.48 Å
Total atoms total_atoms3640
Residues n_residues252
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax34.3 Å
Rg (real space) rg_real9.14 Å
Rg uncertainty (real space) rg_real_error0.50 Å
I(0) (real space) i0_real1.6970e+07
I(0) uncertainty (real space) i0_real_error1.9470e+05
Rg (reciprocal space) rg_reciprocal9.14 Å
I(0) (reciprocal space) i0_reciprocal16970000.0000
Solution quality estimate total_estimate0.8133
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary10.0 Å
Skewness Skewness skewness0.406
Kurtosis Kurtosis kurtosis-0.155
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha27200.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.643; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.696; Smooth: 0.946
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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_idd1chla_
Class classg — Small proteins
Fold Fold foldg.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamilyg.3.7 — Scorpion toxin-like
Family Family familyg.3.7.2 — Short-chain scorpion toxins
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8. Citations (2)

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9. Files and Curves (10)