3IED

Crystal structure of N-terminal domain of Plasmodium falciparum Hsp90 (PF14_0417) in complex with AMPPN

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.01 Å
  • R-Value Free: 0.273 
  • R-Value Work: 0.232 
  • R-Value Observed: 0.234 

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This is version 1.3 of the entry. See complete history. 


Literature

Crystal structure of N-terminal domain of Plasmodium falciparum Hsp90 (PF14_0417) in complex with AMPPN

Pizarro, J.C., Wernimont, A.K., Lew, J., Hutchinson, A., Artz, J.D., Amaya, M.F., Plotnikova, O., Vedadi, M., Kozieradzki, I., Weigelt, J., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Botchkarev, A., Hui, R., Hills, T., Structural Genomics Consortium (SGC)

To be published.

Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Heat shock protein272Plasmodium falciparum 3D7Mutation(s): 0 
Gene Names: PF14_0417
UniProt
Find proteins for Q8IL32 (Plasmodium falciparum (isolate 3D7))
Explore Q8IL32 
Go to UniProtKB:  Q8IL32
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8IL32
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
AN2
Query on AN2
Download Ideal Coordinates CCD File 
B [auth A]AMP PHOSPHORAMIDATE
C10 H16 N6 O9 P2
FQMDCEJHLOLKLI-KQYNXXCUSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.01 Å
  • R-Value Free: 0.273 
  • R-Value Work: 0.232 
  • R-Value Observed: 0.234 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 64.236α = 90
b = 69.462β = 90
c = 71.382γ = 90
Software Package:
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
PHASERphasing
REFMACrefinement
PDB_EXTRACTdata extraction

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2009-08-25
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Advisory, Refinement description, Source and taxonomy, Version format compliance
  • Version 1.2: 2017-11-01
    Changes: Refinement description
  • Version 1.3: 2023-09-06
    Changes: Data collection, Database references, Derived calculations, Refinement description