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Open data
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Basic information
Entry | Database: PDB / ID: 1qng | ||||||
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Title | Plasmodium falciparum Cyclophilin complexed with Cyclosporin A | ||||||
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![]() | ISOMERASE/IMMUNOSUPPRESSANT / ISOMERASE-IMMUNOSUPPRESSANT COMPLEX / CYCLOPHILIN-CYCLOSPORIN COMPLEX / CYCLOSPORIN A / IMMUNOSUPPRESSANT / CYCLOPHILIN | ||||||
Function / homology | ![]() peptidylprolyl isomerase / peptidyl-prolyl cis-trans isomerase activity / protein folding / intracellular membrane-bounded organelle / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Peterson, M.R. / Hall, D.R. / Hunter, W.N. | ||||||
![]() | ![]() Title: The Three-Dimensional Structure of a Plasmodium Falciparum Cyclophilin in Complex with the Potent Anti-Malarial Cyclosporin A Authors: Peterson, M.R. / Hall, D.R. / Berriman, M. / Leonard, G.A. / Fairlamb, A.H. / Hunter, W.N. #1: Journal: Biochem.J. / Year: 1998 Title: Detailed Characterization of a Cyclophilin from the Human Malaria Parasite Plasmodium Falciparum Authors: Berriman, M. / Fairlamb, A.H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 55.5 KB | Display | ![]() |
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PDB format | ![]() | 38.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 434.2 KB | Display | ![]() |
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Full document | ![]() | 436.6 KB | Display | |
Data in XML | ![]() | 11.4 KB | Display | |
Data in CIF | ![]() | 15.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1qnhSC 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: 18845.375 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Production host: ![]() ![]() |
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#2: Protein/peptide | ![]() Details: CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. CYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI. Source: (natural) ![]() |
#3: Water | ChemComp-HOH / |
Compound details | CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. HERE, CYCLOSPORIN A IS REPRESENTED BY THE SEQUENCE (SEQRES) ...CYCLOSPORI |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.05 Å3/Da / Density % sol: 40 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.5 / Details: pH 7.50 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: R-AXIS IV / Detector: IMAGE PLATE / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→32.8 Å / Num. obs: 8101 / % possible obs: 92.3 % / Redundancy: 3 % / Biso Wilson estimate: 26.5 Å2 / Rmerge(I) obs: 0.035 / Net I/σ(I): 26.3 |
Reflection shell | Resolution: 2.1→2.15 Å / Redundancy: 3 % / Rmerge(I) obs: 0.061 / Mean I/σ(I) obs: 15 / % possible all: 89.5 |
Reflection | *PLUS Num. measured all: 61405 |
Reflection shell | *PLUS % possible obs: 89.5 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1QNH Resolution: 2.1→32.8 Å / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: REFINEMENT AT EARLY STAGES UTILISED REFMAC. THE SIDE CHAIN OF ARG49 IS DISORDERED
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Displacement parameters | Biso mean: 21.8 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→32.8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.2 Å / Total num. of bins used: 8
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Xplor file |
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Refine LS restraints | *PLUS Type: c_angle_deg / Dev ideal: 1.275 |