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1ikc

NMR Structure of alpha-Bungarotoxin

Method: SOLUTION NMR Dmax: 36.8 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

long neurotoxin 1

OrganismNot specified

UniProt P60615

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 1–74 Not recorded No other associated polymer SOLUTION NMR NMR measurement conditions：pH 5.67；303 K NMR sample composition：0.5mM alpha-bungarotoxin; 90% H2O, 10% D2O | 90% H2O/10% 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 1IKC Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1ABT NMR SOLUTION STRUCTURE OF AN ALPHA-BUNGAROTOXIN(SLASH)NICOTINIC RECEPTOR PEPTIDE COMPLEX Deposited 1993-11-17 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1BXP SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH A LIBRARY DERIVED PEPTIDE, 20 STRUCTURES Deposited 1998-08-23 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.8；303 K
Resolution not provided
1HC9 alpha-bungarotoxin complexed with high affinity peptide Deposited 2001-05-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 22–95（74 aa）
Not recorded IOD IODIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；40% PEG 3350, 0.1M PIPES BUFFER PH 7.5
Resolution 1.80 Å R-free 0.235
1HOY NMR STRUCTURE OF THE COMPLEX BETWEEN A-BUNGAROTOXIN AND A MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR Deposited 2000-12-12 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.67；303 K；Pressure ambient
NMR sample composition 0.5mM a-bungarotoxin;0.5mM peptide; 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
1IDG THE NMR SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE Deposited 2001-04-04 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4；308 K；Pressure ambient
NMR sample composition 2.1 mM alpha-Bungarotoxin/alpha18mer complex, alpha18mer is 15N labeled, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% sodium azide | 95% H2O/5% D2O
Resolution not provided
1IDH THE NMR SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE Deposited 2001-04-04 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4；308 K；Pressure ambient
NMR sample composition 2.1 mM alpha-Bungarotoxin/alpha18mer complex, alpha18mer is 15N labeled, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% sodium azide | 95% H2O/5% D2O
Resolution not provided
1IDI THE NMR SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN Deposited 2001-04-04 Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4；308 K；Pressure ambient
NMR sample composition 2.0 mM free alpha-Bungarotoxin, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% SODIUM azide | 95% H2O/5% D2O
Resolution not provided
1IDL THE NMR SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN Deposited 2001-04-04 Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4；308 K；Ionic strength (raw mmCIF value) 29 mM；Pressure ambient
NMR sample composition 2.0 mM free alpha-Bungarotoxin, 50 mM perdeuterated potassium acetate buffer (pH 4.0) with 5% D2O and 0.05% sodium azide | 95% H2O/5% D2O
Resolution not provided
1IK8 NMR structure of Alpha-Bungarotoxin Deposited 2001-05-03 Parsed fields agree Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.67；303 K
NMR sample composition 0.5mM alpha-bungarotoxin; 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
1JBD NMR Structure of the Complex Between alpha-bungarotoxin and a Mimotope of the Nicotinic Acetylcholine Receptor Deposited 2001-06-04 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.67；300 K；Pressure ambient
NMR sample composition 0.5MM ALPHA-BUNGAROTOXIN; 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
1KC4 NMR Structural Analysis of the Complex Formed Between alpha-Bungarotoxin and the Principal alpha-Neurotoxin Binding Sequence on the alpha7 Subunit of a Neuronal Nicotinic Acetylcholine Receptor Deposited 2001-11-07 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Pressure ambient
NMR sample composition 1.6 mM alpha-bungarotoxin/[U-15N]-alpha 7 19mer complex 30 mM sodium phosphate, pH 5.5 50 micromolar sodium azide 50 micromolar TMSP | 95% H2O/5% D2O
NMR sample composition 1.6 mM alpha-bungarotoxin/[U-15N]-alpha 7 19mer complex 30 mM sodium phosphate, pH 5.5 50 micromolar sodium azide 50 micromolar TMSP | 99.9% D2O
Resolution not provided
1KFH Solution Structure of alpha-Bungarotoxin by NMR Spectroscopy Deposited 2001-11-20 Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.79；298 K；Ionic strength (raw mmCIF value) no buffers, pH adjusted w/HCl and NaOH；Pressure ambient
NMR measurement conditions pH 5.79；308 K；Ionic strength (raw mmCIF value) no buffers, pH adjusted w/DCl and NaOD；Pressure ambient
NMR sample composition 4mM alpha-Bungarotoxin pH 5.79 at 288, 298, and 308 degrees K | 95% H2O/5% D2O
NMR sample composition 4mM alpha-Bungarotoxin pH 5.79 | 99.9% D2O
Resolution not provided
1KL8 NMR STRUCTURAL ANALYSIS OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND THE PRINCIPAL ALPHA-NEUROTOXIN BINDING SEQUENCE ON THE ALPHA7 SUBUNIT OF A NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR Deposited 2001-12-11 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Pressure AMBIENT
NMR sample composition 1.6 MM ALPHA-BUNGAROTOXIN 15N]-ALPHA 7 19MER COMPLEX MM SODIUM PHOSPHATE, PH 5. MICROMOLAR SODIUM AZIDE 50 MICROMOLAR TMSP | 95% H2O/5% D2O
Resolution not provided
1L4W NMR structure of an AChR-peptide (Torpedo Californica, alpha-subunit residues 182-202) in complex with alpha-Bungarotoxin Deposited 2002-03-06 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4；303 K；Ionic strength (raw mmCIF value) 50 mM Ac；Pressure ambient
NMR sample composition 1.8 mM alpha-Bungarotoxin/AChR-peptide, buffer,pH 4 | 90% H2O/10% D2O
NMR sample composition 1.8 mM alpha-Bungarotoxin/AChR-peptide, buffer,pH 4 | 100% D2O
Resolution not provided
1LJZ NMR structure of an AChR-peptide (Torpedo Californica, alpha-subunit residues 182-202) in complex with alpha-Bungarotoxin Deposited 2002-04-23 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4；298 K；Ionic strength (raw mmCIF value) 50 mM NH4Ac；Pressure ambient
NMR measurement conditions pH 4；298 K；Ionic strength (raw mmCIF value) 50 mM NH4Ac；Pressure ambient
NMR sample composition acetylcholine receptor peptide/alpha-bungarotoxin | 90% H2O/10% D2O
NMR sample composition acetylcholine receptor peptide/alpha-bungarotoxin | 100% D2O
Resolution not provided
1RGJ NMR STRUCTURE OF THE COMPLEX BETWEEN ALPHA-BUNGAROTOXIN AND MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR WITH ENHANCED ACTIVITY Deposited 2003-11-12 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.6；303 K；Pressure AMBIENT
NMR sample composition 2MM ALPHA-BUNGAROTOXIN, 2MM PEPTIDE | 90% H2O/10% D2O
Resolution not provided
2ABX THE CRYSTAL STRUCTURE OF ALPHA-BUNGAROTOXIN AT 2.5 ANGSTROMS RESOLUTION. RELATION TO SOLUTION STRUCTURE AND BINDING TO ACETYLCHOLINE RECEPTOR Deposited 1986-02-19 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Chain B 1–74（74 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
2BTX SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH A LIBRARY DERIVED PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1998-08-23 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–74（74 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.8；303 K
Resolution not provided
6UWZ Cryo-EM structure of Torpedo acetylcholine receptor in complex with alpha-bungarotoxin Deposited 2019-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: heptameric
Chain F 22–95（74 aa）
Chain G 22–95（74 aa）
Not recorded POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 OCT N-OCTANE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.69 Å
8DA1 Crystal structure of Krait alpha-neurotoxin in complex with Centi-LNX-D09 antibody Deposited 2022-06-12 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 22–95（74 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；40% PEG 400, 5% PEG 3350, 0.1M sodium acetate pH 5.5
Resolution 2.67 Å R-free 0.253
9FYS D11 mAbs bound to alpha-Bungarotoxin Deposited 2024-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain X 1–95（95 aa）
Chain Z 1–95（95 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES: NaOH, 12 % PEG 20000, pH 6.5
Resolution 1.32 Å R-free 0.192
9GU0 Human adult muscle nAChR in resting state in detergent with alpha-bungarotoxin Deposited 2024-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 11 PDB declaration: 11-meric
Chain I 22–95（74 aa）
Chain J 22–95（74 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20 mM HEPES pH 7.5, 150 mM NaCl, 0.013% DDM, 0.0013% CHS
cryo-EM vitrification conditions Cryogen ETHANE；blot time 2s, blot force -10
Resolution 2.96 Å
9GU1 Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin Deposited 2024-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 11 PDB declaration: 11-meric
Chain I 22–95（74 aa）
Chain J 22–95（74 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CU COPPER (II) ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；20 mM HEPES pH 7.5, 150 mM NaCl
cryo-EM vitrification conditions Cryogen ETHANE；2.5 uL of sample was frozen; blot time 4.5 s, blot force -10
Resolution 2.48 Å
9HUB D11 mAbs bound to alpha-Bungarotoxin at pH 7.5 Deposited 2024-12-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain X 1–95（95 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5, 70% (v/v) MPD)
Resolution 1.33 Å R-free 0.195
9HUB D11 mAbs bound to alpha-Bungarotoxin at pH 7.5 Deposited 2024-12-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain Z 1–95（95 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5, 70% (v/v) MPD)
Resolution 1.33 Å R-free 0.195

24 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NXL1A_BUNMU
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–74； UniProt 1–74

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 1ikc

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1ikc
Deposition date deposition_date2001-05-03
Structure title titleNMR Structure of alpha-Bungarotoxin
Keywords keywordsalpha-bungarotoxin, toxin, nicotinic-acetilcholine receptor; TOXIN
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier11.39 Å
Radius of gyration Rg (electron density) rg_electron11.79 Å
Forward intensity I(0) i0921344000.00
Molecular weight molecular_weight239920.0 kDa
Excluded volume excluded_volume292980 ų
Envelope volume envelope_volume13862 ų
Hydration-shell volume shell_volume9538 ų
Envelope diameter envelope_diameter43.0 Å
Shell Rg shell_rg18.09 Å
Envelope Rg envelope_rg13.24 Å
Shape Rg shape_rg11.80 Å
Total Rg total_rg11.83 Å
Total atoms total_atoms20820
Residues n_residues2220
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 dmax36.8 Å
Rg (real space) rg_real11.40 Å
Rg uncertainty (real space) rg_real_error0.30 Å
I(0) (real space) i0_real9.2130e+08
I(0) uncertainty (real space) i0_real_error9.7920e+06
Rg (reciprocal space) rg_reciprocal11.40 Å
I(0) (reciprocal space) i0_reciprocal921300000.0000
Solution quality estimate total_estimate0.8988
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary12.1 Å
Skewness Skewness skewness0.325
Kurtosis Kurtosis kurtosis-0.438
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha126700.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.963; Smooth: 0.977
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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_idd1ikca_
Class classg — Small proteins
Fold Fold foldg.7 — Snake toxin-like
Superfamily Superfamily superfamilyg.7.1 — Snake toxin-like
Family Family familyg.7.1.1 — Snake venom toxins

CATH v4.4 (1 domains)

Domain ID domain_id1ikcA00
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology60 — CD59
Homologous superfamily homologous superfamily10 — CD59
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8. Citations (2)

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9. Files and Curves (10)