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- PDB-4z0e: Crystal structure of FVO strain Plasmodium falciparum AMA1 in com... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4z0e | ||||||
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Title | Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038TRN] peptide | ||||||
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![]() | CELL INVASION / inhibitor / AMA1 / malaria | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wang, G. / McGowan, S. / Norton, R.S. / Scanlon, M.J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction. Authors: Wang, G. / Drinkwater, N. / Drew, D.R. / MacRaild, C.A. / Chalmers, D.K. / Mohanty, B. / Lim, S.S. / Anders, R.F. / Beeson, J.G. / Thompson, P.E. / McGowan, S. / Simpson, J.S. / Norton, R.S. / Scanlon, M.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 | ![]() | 138 KB | Display | ![]() |
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PDB format | ![]() | 103.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 434.9 KB | Display | ![]() |
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Full document | ![]() | 436.5 KB | Display | |
Data in XML | ![]() | 14.7 KB | Display | |
Data in CIF | ![]() | 21.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4z09C ![]() 4z0dC ![]() 4z0fC ![]() 4r1aS C: citing same article ( S: Starting model for refinement |
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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: 38333.805 Da / Num. of mol.: 1 / Fragment: UNP residues 108-438 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: FVO / Gene: PFFVO_05649 / Production host: ![]() ![]() |
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#2: Protein/peptide | Mass: 1552.819 Da / Num. of mol.: 1 / Fragment: UNP residues 1217-1229 / Mutation: Phe2038TRN / Source method: obtained synthetically Source: (synth.) ![]() ![]() References: UniProt: Q8IKV6*PLUS |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2 Å3/Da / Density % sol: 38.48 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop Details: 15-20% PEG400, 0.1M Tris-HCl, pH 8.6, 0.1 M sodium acetate and 20% isopropanol |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | |||||||||||||||||||||||||||
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Dec 2, 2014 | |||||||||||||||||||||||||||
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9537 Å / Relative weight: 1 | |||||||||||||||||||||||||||
Reflection | Resolution: 1.9→36.01 Å / Num. obs: 24645 / % possible obs: 96.2 % / Redundancy: 6.9 % / Biso Wilson estimate: 15.65 Å2 / CC1/2: 0.994 / Rmerge(I) obs: 0.178 / Rpim(I) all: 0.072 / Net I/σ(I): 8 / Num. measured all: 169637 / Scaling rejects: 179 | |||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / Rejects: _
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4R1A Resolution: 1.9→33.588 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.2 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 63.06 Å2 / Biso mean: 21.0237 Å2 / Biso min: 6.88 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.9→33.588 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 9
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Refinement TLS params. | Method: refined / Origin x: -8.7723 Å / Origin y: 2.7634 Å / Origin z: -6.9127 Å
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Refinement TLS group |
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