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Yorodumi- PDB-2n3e: Amino-terminal domain of Latrodectus hesperus MaSp1 with neutrali... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2n3e | ||||||
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Title | Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster | ||||||
Components | Major ampullate spidroin 1 | ||||||
Keywords | STRUCTURAL PROTEIN / five-helix bundle | ||||||
Function / homology | Function and homology information Spidroin, C-terminal / Major ampullate spidroin 1 and 2 / Spidroin, C-terminal domain superfamily / Spidroin, N-terminal domain / Spidroin, N-terminal / Major ampullate spidroin 1, spider silk protein 1, N-term / Spidroin, N-terminal domain superfamily / Enzyme I; Chain A, domain 2 / Orthogonal Bundle / Mainly Alpha Similarity search - Domain/homology | ||||||
Biological species | Latrodectus hesperus (western black widow) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Schaal, D. / Bauer, J. / Schweimer, K. / Scheibel, T. / Roesch, P. / Schwarzinger, S. | ||||||
Citation | Journal: To be Published Title: High resolution structure of an engineered amino-terminal ampullate spider silk with neutralized charge cluster Authors: Schaal, D. / Bauer, J. / Schweimer, K. / Scheibel, T. / Roesch, P. / Schwarzinger, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2n3e.cif.gz | 740.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2n3e.ent.gz | 625.5 KB | Display | PDB format |
PDBx/mmJSON format | 2n3e.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2n3e_validation.pdf.gz | 544.3 KB | Display | wwPDB validaton report |
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Full document | 2n3e_full_validation.pdf.gz | 974.5 KB | Display | |
Data in XML | 2n3e_validation.xml.gz | 124.8 KB | Display | |
Data in CIF | 2n3e_validation.cif.gz | 130.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/n3/2n3e ftp://data.pdbj.org/pub/pdb/validation_reports/n3/2n3e | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 14011.478 Da / Num. of mol.: 1 / Fragment: N-terminal domain (UNP residues 25-157) / Mutation: D39N, E76Q, E81Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Latrodectus hesperus (western black widow) Gene: MaSp1 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A6YIY1 |
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Sequence details | AUTHORS STATE THAT THIS IS A CLONING OVERLAP |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 600 uM [U-95% 13C; U-90% 15N] protein, 20 mM sodium phosphate, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 20 / pH: 7.2 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 120 / Conformers submitted total number: 20 |