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- PDB-6r9z: 3D NMR solution structure of ligand peptide (Ac)EVNPPVP of Pro-Pr... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6r9z | ||||||
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Title | 3D NMR solution structure of ligand peptide (Ac)EVNPPVP of Pro-Pro endopeptidase-1 | ||||||
![]() | ACE-GLU-VAL-ASN-PRO-PRO-VAL-PRO-NH2 | ||||||
![]() | HYDROLASE / synthetic model peptide / Pro-Pro endopeptidase-1 | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Diaz, D. | ||||||
![]() | ![]() Title: Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1. Authors: Pichlo, C. / Juetten, L. / Wojtalla, F. / Schacherl, M. / Diaz, D. / Baumann, U. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 49 KB | Display | ![]() |
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PDB format | ![]() | 38.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 354.6 KB | Display | ![]() |
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Full document | ![]() | 411.5 KB | Display | |
Data in XML | ![]() | 4.2 KB | Display | |
Data in CIF | ![]() | 6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6r4wC ![]() 6r4xC ![]() 6r4yC ![]() 6r4zC ![]() 6r50C ![]() 6r51C ![]() 6r52C ![]() 6r53C ![]() 6r54C ![]() 6r55C ![]() 6r56C ![]() 6r57C ![]() 6r58C ![]() 6r59C ![]() 6r5aC ![]() 6r5bC ![]() 6r5cC C: citing same article ( |
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Other databases |
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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/peptide | Mass: 774.883 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution / Contents: 2 mM peptide, 90% H2O/10% D2O / Label: 1H_sample / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 2 mM / Component: peptide / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: 0.175 M / Label: conditions_1 / pH: 7 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE II / Manufacturer: Bruker / Model: AVANCE II / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 2 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |