SAXSdb — 1bkt

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

BMKTX

Mesobuthus martensii

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 23–59	Non-standard monomer：Yes (specific site not provided by mmCIF)	No other associated polymer	SOLUTION NMR NMR measurement conditions：pH 3；300 K NMR sample composition：WATER	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 1BKT	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2K4U Solution structure of the SCORPION TOXIN ADWX-1 Deposited 2008-06-18	Different mutation/modification Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–59（37 aa）	Mutation：G11R,I28T,D33H	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；300 K；Pressure ambient NMR sample composition 1mM protein, 25mM sodium phosphate, 0.05% sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2MLA Solution structure of BmKTX-D19K Deposited 2014-02-21	Different mutation/modification Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–59（37 aa）	Mutation：D19K	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；298 K；Ionic strength (raw mmCIF value) 0.025；Pressure ambient NMR sample composition 2 mM entity-1, 10 % D2O-2, 25 mM sodium phosphate-3, 90 % H2O-4, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2MLD Solution structure of BmKTX-D19K/K6D Deposited 2014-02-24	Different construct Different mutation/modification Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–59（37 aa） Fragment：UNP residues 23-59	Mutation：K6D, D19K	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；298 K；Ionic strength (raw mmCIF value) 0.025；Pressure ambient NMR sample composition 2 mM entity-1, 10 % [U-99% 2H] D2O-2, 90 % H2O-3, 25 mM potassium phosphate-4, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided

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

View Construct and Data Evidence

UniProt name	SCKT_MESMA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–37； UniProt 23–59

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	1bkt
Deposition date deposition_date	1998-07-03
Structure title title	BMKTX TOXIN FROM SCORPION BUTHUS MARTENSII KARSCH, NMR, 25 STRUCTURES
Keywords keywords	SCORPION, NEUROTOXIN, LARGE CONDUCTANCE POTASSIUM CHANNEL, VOLTAGE GATED POTASSIUM CHANNEL, BUTHUS MARTENSII; NEUROTOXIN
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	7.97 Å
Radius of gyration Rg (electron density) rg_electron	8.63 Å
Forward intensity I(0) i0	160445000.00
Molecular weight molecular_weight	99346.0 kDa
Excluded volume excluded_volume	121940 Å³
Envelope volume envelope_volume	7132 Å³
Hydration-shell volume shell_volume	6542 Å³
Envelope diameter envelope_diameter	35.0 Å
Shell Rg shell_rg	14.80 Å
Envelope Rg envelope_rg	10.32 Å
Shape Rg shape_rg	8.65 Å
Total Rg total_rg	8.69 Å
Total atoms total_atoms	13825
Residues n_residues	925
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	29.0 Å
Rg (real space) rg_real	7.97 Å
Rg uncertainty (real space) rg_real_error	0.42 Å
I(0) (real space) i0_real	1.6040e+08
I(0) uncertainty (real space) i0_real_error	1.7310e+06
Rg (reciprocal space) rg_reciprocal	7.97 Å
I(0) (reciprocal space) i0_reciprocal	160400000.0000
Solution quality estimate total_estimate	0.8215
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	0.314
Kurtosis Kurtosis kurtosis	-0.233
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	10970.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.649; Stabil: 0.994; Sysdev: 1.000; Positv: 1.000; Valcen: 0.910; Smooth: 0.837

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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	d1bkta_
Class class	g — Small proteins
Fold Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamily	g.3.7 — Scorpion toxin-like
Family Family family	g.3.7.2 — Short-chain scorpion toxins

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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	1

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

Description description	BMKTX
Molecular weight formula_weight	3975.8 kDa
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	13825

来源生物 organism	Mesobuthus martensii
通用名 common_name	Chinese scorpion
NCBI Class编号 ncbi_taxonomy_id	34649

BMKTX TOXIN FROM SCORPION BUTHUS MARTENSII KARSCH, NMR, 25 STRUCTURES

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

BMKTX

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

SCOP 2.08 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/bk/1bkt/1bkt.fit
pddf	/app/data/pr_computation/bk/1bkt/1bkt.pr.out
profile	/app/data/saxs_computation/bk/1bkt/1bkt.dat