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- PDB-4b14: Plasmodium vivax N-myristoyltransferase with a bound benzofuran i... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4b14 | ||||||
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Title | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26) | ||||||
![]() | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE![]() | ||||||
![]() | ![]() ![]() ![]() | ||||||
Function / homology | ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Yu, Z. / Brannigan, J.A. / Moss, D.K. / Brzozowski, A.M. / Wilkinson, A.J. / Holder, A.A. / Tate, E.W. / Leatherbarrow, R.J. | ||||||
![]() | ![]() Title: Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. Authors: Yu, Z. / Brannigan, J.A. / Moss, D.K. / Brzozowski, A.M. / Wilkinson, A.J. / Holder, A.A. / Tate, E.W. / Leatherbarrow, R.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 280.7 KB | Display | ![]() |
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PDB format | ![]() | 225.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4b10SC ![]() 4b11C ![]() 4b12C ![]() 4b13C S: Starting model for refinement 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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2 | ![]()
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3 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 3 molecules ABC
#1: Protein | ![]() Mass: 45077.594 Da / Num. of mol.: 3 / Fragment: RESIDUES 27-410 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Description: SYNTHETIC GENE / Plasmid: PET28 DERIVATIVE / Production host: ![]() ![]() ![]() References: UniProt: A5K1A2, ![]() |
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-Non-polymers , 7 types, 1148 molecules ![](data/chem/img/DMS.gif)
![](data/chem/img/4XB.gif)
![](data/chem/img/NHW.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/4XB.gif)
![](data/chem/img/NHW.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ![]() #3: Chemical | #4: Chemical | #5: Chemical | ![]() #6: Chemical | #7: Chemical | ChemComp-SO4 / | ![]() #8: Water | ChemComp-HOH / | ![]() |
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-Details
Sequence details | MET26 EQUIVALENT |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.5 % / Description: NONE |
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Crystal grow![]() | pH: 6.5 Details: 0.2M AMMONIUM SULPHATE, 24-26% PEG 3350, 0.1M BISTRIS PH 6.0 - 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS / Detector: PIXEL / Date: Jan 28, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.5→33 Å / Num. obs: 194832 / % possible obs: 99.6 % / Observed criterion σ(I): 2 / Redundancy: 7.9 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 14.6 |
Reflection shell | Resolution: 1.5→1.54 Å / Redundancy: 7.9 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 3.4 / % possible all: 99.6 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 4B10 Resolution: 1.5→32.64 Å / Cor.coef. Fo:Fc: 0.904 / Cor.coef. Fo:Fc free: 0.863 / SU B: 2.423 / SU ML: 0.093 / Cross valid method: THROUGHOUT / ESU R: 0.108 / ESU R Free: 0.113 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. U VALUES REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.063 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→32.64 Å
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Refine LS restraints |
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