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- PDB-5t5u: Crystal structure of Aspergillus fumigatus N-myristoyl transferas... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5t5u | |||||||||
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Title | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a methylpyridyl-dipihenyl-pyridine ligand | |||||||||
![]() | Glycylpeptide N-tetradecanoyltransferase![]() | |||||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Robinson, D.A. / Wyatt, P.G. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. Authors: Bayliss, T. / Robinson, D.A. / Smith, V.C. / Brand, S. / McElroy, S.P. / Torrie, L.S. / Mpamhanga, C. / Norval, S. / Stojanovski, L. / Brenk, R. / Frearson, J.A. / Read, K.D. / Gilbert, I.H. / Wyatt, P.G. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 109.9 KB | Display | ![]() |
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PDB format | ![]() | 79.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5t6cC ![]() 5t6eC ![]() 5t6hC ![]() 4caxS 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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Unit cell |
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Components
#1: Protein | ![]() Mass: 47443.250 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Strain: ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100 / Gene: nmt1, AFUA_4G08070 / Plasmid: PGEX-6P1 Production host: ![]() ![]() ![]() Strain (production host): BL21 (DE3) / Variant (production host): pLysS References: UniProt: Q9UVX3, ![]() |
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#2: Chemical | ChemComp-MYA / |
#3: Chemical | ChemComp-75T / |
#4: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.52 Å3/Da / Density % sol: 51.1 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, sitting drop / Details: 25%PEG3350,0.2M NACL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4r / Detector: CCD / Date: Feb 2, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.8→42.4 Å / Num. obs: 42412 / % possible obs: 99 % / Redundancy: 2.8 % / Biso Wilson estimate: 13.5 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.051 / Net I/σ(I): 12.9 |
Reflection shell | Resolution: 1.8→1.84 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.262 / Mean I/σ(I) obs: 3.4 / CC1/2: 0.852 / % possible all: 96.2 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 4CAX Resolution: 1.8→42.4 Å / Cor.coef. Fo:Fc: 0.919 / Cor.coef. Fo:Fc free: 0.895 / SU B: 2.99 / SU ML: 0.096 / Cross valid method: THROUGHOUT / ESU R: 0.147 / ESU R Free: 0.133 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.201 Å2
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Refinement step | Cycle: 1 / Resolution: 1.8→42.4 Å
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Refine LS restraints |
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