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2mla

Solution structure of BmKTX-D19K

Method: SOLUTION NMR Dmax: 29.3 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Potassium channel toxin alpha-KTx 3.6

Mesobuthus martensii

UniProt Q9NII7

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 Mutation：D19K No other associated polymer 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

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 2MLA Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BKT BMKTX TOXIN FROM SCORPION BUTHUS MARTENSII KARSCH, NMR, 25 STRUCTURES Deposited 1998-07-03 Different mutation/modification Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 23–59（37 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 3；300 K
NMR sample composition WATER
Resolution not provided
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
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 KAX36_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.

SAXS scattering curve SAXS Profile

SAXS profile for 2mla

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2mla
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2mla
Deposition date deposition_date2014-02-21
Structure title titleSolution structure of BmKTX-D19K
Keywords keywordsTOXIN; 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_guinier8.24 Å
Radius of gyration Rg (electron density) rg_electron8.80 Å
Forward intensity I(0) i0100085000.00
Molecular weight molecular_weight79799.0 kDa
Excluded volume excluded_volume98827 ų
Envelope volume envelope_volume8050 ų
Hydration-shell volume shell_volume7102 ų
Envelope diameter envelope_diameter33.2 Å
Shell Rg shell_rg15.15 Å
Envelope Rg envelope_rg10.39 Å
Shape Rg shape_rg8.81 Å
Total Rg total_rg8.97 Å
Total atoms total_atoms11240
Residues n_residues740
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 dmax29.3 Å
Rg (real space) rg_real8.23 Å
Rg uncertainty (real space) rg_real_error0.33 Å
I(0) (real space) i0_real1.0010e+08
I(0) uncertainty (real space) i0_real_error1.0460e+06
Rg (reciprocal space) rg_reciprocal8.24 Å
I(0) (reciprocal space) i0_reciprocal100100000.0000
Solution quality estimate total_estimate0.6374
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary10.0 Å
Skewness Skewness skewness0.293
Kurtosis Kurtosis kurtosis-0.224
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13120.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.749; Stabil: 0.999; Sysdev: 0.368; Positv: 1.000; Valcen: 0.932; Smooth: 0.000
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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_idd2mlaa_
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 (1)

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9. Files and Curves (10)