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- PDB-2mmw: LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2mmw | ||||||
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Title | LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGD SUBSTITUTION of GLY12-ILE13-GLY14 | ||||||
![]() | Microcin J25 | ||||||
![]() | ANTIBIOTIC / LASSO PEPTIDE / MICROCIN J25 / EPITOPE GRAFTING / PEPTIDE SCAFFOLD / INTEGRIN INHIBITOR / ANGIOGENESIS / ANTIMICROBIAL PROTEIN / CELL ADHESION INHIBITOR | ||||||
Function / homology | killing of cells of another organism / defense response to bacterium / extracellular region / Microcin J25![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model 1 | ||||||
![]() | Knappe, T.A. / Linne, U. / Xie, X. / Marahiel, M.A. | ||||||
![]() | ![]() Title: Introducing lasso peptides as molecular scaffolds for drug design: engineering of an integrin antagonist. Authors: Knappe, T.A. / Manzenrieder, F. / Mas-Moruno, C. / Linne, U. / Sasse, F. / Kessler, H. / Xie, X. / Marahiel, M.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 122.6 KB | Display | ![]() |
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PDB format | ![]() | 96.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 371.6 KB | Display | ![]() |
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Full document | ![]() | 432.1 KB | Display | |
Data in XML | ![]() | 8.6 KB | Display | |
Data in CIF | ![]() | 13.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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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: 2228.420 Da / Num. of mol.: 1 / Mutation: G12R, I13G, G14D Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 11.6 mM MCCJ25(RGD), methanol / Solvent system: methanol |
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Sample | Conc.: 11.6 mM / Component: MCCJ25(RGD)-1 |
Sample conditions | Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: BRUKER AVANCE / Manufacturer: Bruker / Model: Avance / Field strength: 600 MHz |
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Processing
NMR software | Name: ![]() |
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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: 200 / Conformers submitted total number: 20 |