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Open data
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Basic information
Entry | Database: PDB / ID: 2kf4 | ||||||
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Title | Barnase high pressure structure | ||||||
![]() | Ribonuclease | ||||||
![]() | HYDROLASE / barnase / ribonuclease / pressure / Endonuclease / Nuclease / Secreted / SIGNALING PROTEIN | ||||||
Function / homology | ![]() Hydrolases; Acting on ester bonds; Endoribonucleases producing 3'-phosphomonoesters / RNA endonuclease activity / RNA binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR / molecular dynamics | ||||||
Model details | all equally good, model 1 | ||||||
![]() | Williamson, M.P. / Wilton, D.J. | ||||||
![]() | ![]() Title: Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations. Authors: Wilton, D.J. / Kitahara, R. / Akasaka, K. / Pandya, M.J. / Williamson, M.P. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 338.2 KB | Display | ![]() |
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PDB format | ![]() | 280.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 383.5 KB | Display | ![]() |
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Full document | ![]() | 451.6 KB | Display | |
Data in XML | ![]() | 32.5 KB | Display | |
Data in CIF | ![]() | 41.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2kf3C ![]() 2kf5C ![]() 2kf6C C: citing same article ( |
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Similar structure data | |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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NMR ensembles |
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Components
#1: Protein | Mass: 12331.651 Da / Num. of mol.: 1 / Mutation: H102A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P00648, Hydrolases; Acting on ester bonds; Endoribonucleases producing 3'-phosphomonoesters |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR Details: For comparison to low pressure structure (pdb 2kf3) | ||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 1.1 mM [U-100% 13C; U-100% 15N] barnase, 30 mM sodium phosphate, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | pH: 6.7 / Pressure: 200 0 / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 800 MHz |
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Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 Details: Shifts restrained to starting values plus changes to high pressure | |||||||||
NMR representative | Selection criteria: all equally good | |||||||||
NMR ensemble | Conformer selection criteria: 10 randomly selected / Conformers calculated total number: 50 / Conformers submitted total number: 10 |