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Open data
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Basic information
Entry | Database: PDB / ID: 1ffj | ||||||
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Title | NMR STRUCTURE OF CARDIOTOXIN IN DPC-MICELLE | ||||||
![]() | CYTOTOXIN 2 | ||||||
![]() | TOXIN / all-beta sheet protein / membrane perturbation | ||||||
Function / homology | ![]() other organism cell membrane / toxin activity / killing of cells of another organism / extracellular region / membrane Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
![]() | Dubovskii, P.V. / Dementieva, D.V. / Bocharov, E.V. / Utkin, Y.N. / Arseniev, A.S. | ||||||
![]() | ![]() Title: Membrane binding motif of the P-type cardiotoxin. Authors: Dubovskii, P.V. / Dementieva, D.V. / Bocharov, E.V. / Utkin, Y.N. / Arseniev, A.S. #1: ![]() Title: Two forms of Cytotoxin II (cardiotoxin) from Naja naja oxiana in Aqueous Solution. Spatial Structures with Tightly Bound Water Molecules Authors: Dementieva, D.V. / Bocharov, E.V. / Arseniev, A.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 349.7 KB | Display | ![]() |
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PDB format | ![]() | 303.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 338.5 KB | Display | ![]() |
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Full document | ![]() | 456.8 KB | Display | |
Data in XML | ![]() | 20.2 KB | Display | |
Data in CIF | ![]() | 32.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 6648.238 Da / Num. of mol.: 1 / Fragment: 1 / Source method: isolated from a natural source / Source: (natural) ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: This structure was determined using standard 2D homonuclear techniques. Sites of tightly bound water molecules were determined as in Dementieva et al., Eur.J.Biochem.1999,263,152-162. |
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Sample preparation
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Sample conditions |
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Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 Details: structures are based on a total of 368 NOE-derived constraints, 154 dihedral angle restraints, 248 distance restraints from hydrogen bonds and disulfides | ||||||||||||||||||||
NMR representative | Selection criteria: fewest violations | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 220 / Conformers submitted total number: 20 |