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1cre

CARDIOTOXIN II FROM TAIWAN COBRA VENOM, NAJA NAJA ATRA: STRUCTURE IN SOLUTION AND COMPARISION AMONG HOMOLOGOUS CARDIOTOXINS

Method: SOLUTION NMR Dmax: 42.2 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

CARDIOTOXIN II

Naja atra

UniProt P01442

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 22–81 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 1CRE Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1CRF CARDIOTOXIN II FROM TAIWAN COBRA VENOM, NAJA NAJA ATRA: STRUCTURE IN SOLUTION AND COMPARISION AMONG HOMOLOGOUS CARDIOTOXINS Deposited 1994-03-12 Parsed fields agree Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 22–81（60 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
4OM4 Crystal structure of CTX A2 from Taiwan Cobra (Naja naja atra) Deposited 2014-01-26 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 22–81（60 aa） Fragment：UNP residues 22-81
Chain B 22–81（60 aa） Fragment：UNP residues 22-81
Chain C 22–81（60 aa） Fragment：UNP residues 22-81
Chain D 22–81（60 aa） Fragment：UNP residues 22-81
Chain E 22–81（60 aa） Fragment：UNP residues 22-81
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；291 K；5.5 M ammonium nitrate, 0.1 M Bis-Tris, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.74 Å R-free 0.260

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CTX2_NAJAT
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–60； UniProt 22–81

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 1cre

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1cre
Deposition date deposition_date1994-03-12
Structure title titleCARDIOTOXIN II FROM TAIWAN COBRA VENOM, NAJA NAJA ATRA: STRUCTURE IN SOLUTION AND COMPARISION AMONG HOMOLOGOUS CARDIOTOXINS
Keywords keywordsCARDIOTOXIN; CARDIOTOXIN
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier12.44 Å
Radius of gyration Rg (electron density) rg_electron11.59 Å
Forward intensity I(0) i01064390.00
Molecular weight molecular_weight6758.0 kDa
Excluded volume excluded_volume8531 ų
Envelope volume envelope_volume9866 ų
Hydration-shell volume shell_volume7647 ų
Envelope diameter envelope_diameter39.3 Å
Shell Rg shell_rg16.58 Å
Envelope Rg envelope_rg12.04 Å
Shape Rg shape_rg11.58 Å
Total Rg total_rg13.04 Å
Total atoms total_atoms951
Residues n_residues60
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 dmax42.2 Å
Rg (real space) rg_real12.45 Å
Rg uncertainty (real space) rg_real_error0.27 Å
I(0) (real space) i0_real1.0640e+06
I(0) uncertainty (real space) i0_real_error1.1490e+04
Rg (reciprocal space) rg_reciprocal12.45 Å
I(0) (reciprocal space) i0_reciprocal1064000.0000
Solution quality estimate total_estimate0.8878
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary13.9 Å
Skewness Skewness skewness0.322
Kurtosis Kurtosis kurtosis-0.356
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha166500.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.877; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.914; Smooth: 0.993
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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_idd1crea_
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_id1creA00
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology60 — CD59
Homologous superfamily homologous superfamily10 — CD59
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8. Citations (1)

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9. Files and Curves (10)