← Back to search
1ccq

NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MINOR FORM).

Method: SOLUTION NMR Dmax: 46.2 Å Quality: REASONABLE
▼

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

PROTEIN (CYTOTOXIN 2)

OrganismNot specified

UniProt P01441

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 1–60 Not recorded No other associated polymer SOLUTION NMR NMR measurement conditions：pH 5.5；303 K NMR sample composition：90% WATER/10% D2O, 100% 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 1CCQ Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1CB9 NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MAJOR FORM). Deposited 1999-03-01 Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–60（60 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.5；303 K
NMR sample composition 90% WATER/10% D2O; 100% D2O
Resolution not provided
1FFJ NMR STRUCTURE OF CARDIOTOXIN IN DPC-MICELLE Deposited 2000-07-25 Different construct Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–60（60 aa） Fragment：1
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.5；318 K；Ionic strength (raw mmCIF value) 0M NaCl；Pressure ambient
NMR measurement conditions pH 5.5；303 K；Ionic strength (raw mmCIF value) 0M NaCl；Pressure ambient
NMR sample composition 3mM Cardiotoxin (cytotoxin II); 120 mM perdeuterated dodecylphosphocholine | 90% H2O/10% D2O
NMR sample composition 3mM Cardiotoxin (cytotoxin II); 120 mM perdeuterated dodecylphosphocholine | 100% D2O
Resolution not provided

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

View Construct and Data Evidence
UniProt name CX2_NAJOX
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–60； UniProt 1–60

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 1ccq

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1ccq
Download Download
▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id1ccq
Deposition date deposition_date1999-03-02
Structure title titleNMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MINOR FORM).
Keywords keywordsCYTOTOXIN (CARDIOTOXIN), MEMBRANE PERTURBATION, CIS/TRANS ISOMERIZATION, BOUND WATER, TOXIN; TOXIN
Experimental Method methodSOLUTION NMR
▼

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier10.44 Å
Radius of gyration Rg (electron density) rg_electron11.45 Å
Forward intensity I(0) i0223539000.00
Molecular weight molecular_weight132570.0 kDa
Excluded volume excluded_volume169100 ų
Envelope volume envelope_volume13263 ų
Hydration-shell volume shell_volume9357 ų
Envelope diameter envelope_diameter40.4 Å
Shell Rg shell_rg17.77 Å
Envelope Rg envelope_rg12.71 Å
Shape Rg shape_rg11.46 Å
Total Rg total_rg11.55 Å
Total atoms total_atoms18860
Residues n_residues1200
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
▼

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax46.2 Å
Rg (real space) rg_real10.41 Å
Rg uncertainty (real space) rg_real_error0.49 Å
I(0) (real space) i0_real2.2350e+08
I(0) uncertainty (real space) i0_real_error2.4230e+06
Rg (reciprocal space) rg_reciprocal10.41 Å
I(0) (reciprocal space) i0_reciprocal223500000.0000
Solution quality estimate total_estimate0.6511
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary12.3 Å
Skewness Skewness skewness0.137
Kurtosis Kurtosis kurtosis-0.772
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha42800.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.386; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.304; Smooth: 0.000
▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (2)

▼

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1ccqa_
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_id1ccqA00
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology60 — CD59
Homologous superfamily homologous superfamily10 — CD59
▶

8. Citations (2)

▶

9. Files and Curves (10)