5RKU

PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z32367954


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.40 Å
  • R-Value Free: 0.219 
  • R-Value Work: 0.188 
  • R-Value Observed: 0.189 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.1 of the entry. See complete history


Literature

PanDDA analysis group deposition of ground-state model

Grosjean, H.Aimon, A.Krojer, T.Talon, R.Douangamath, A.Koekemoer, L.Arrowsmith, C.H.Edwards, A.Bountra, C.von Delft, F.Biggin, P.C.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
PH-interacting protein149Homo sapiensMutation(s): 0 
Gene Names: PHIPDCAF14WDR11
UniProt & NIH Common Fund Data Resources
Find proteins for Q8WWQ0 (Homo sapiens)
Explore Q8WWQ0 
Go to UniProtKB:  Q8WWQ0
PHAROS:  Q8WWQ0
GTEx:  ENSG00000146247 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8WWQ0
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
UXA (Subject of Investigation/LOI)
Query on UXA

Download Ideal Coordinates CCD File 
B [auth A]~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
C11 H11 N O3
OUGQMSXIPFSZBI-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.40 Å
  • R-Value Free: 0.219 
  • R-Value Work: 0.188 
  • R-Value Observed: 0.189 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 81.77α = 90
b = 27.29β = 100.13
c = 55.81γ = 90
Software Package:
Software NamePurpose
BUSTERrefinement
Aimlessdata scaling
PDB_EXTRACTdata extraction
XDSdata reduction
REFMACphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History 

Revision History  (Full details and data files)

  • Version 1.0: 2020-06-17
    Type: Initial release
  • Version 1.1: 2024-03-06
    Changes: Data collection, Database references