5S9C

PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.14 Å
  • R-Value Free: 0.212 
  • R-Value Work: 0.183 
  • R-Value Observed: 0.184 

wwPDB Validation   3D Report Full Report



Literature

Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures

Grosjean, H.Aimon, A.Hart , S.Krojer, T.Talon, R.Douangamath, A.Koekemoer, L.Biggin, P.C.Spencer, J.von Delft, F.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  Structure
Entity ID: 1
MoleculeChainsSequence LengthOrganismDetailsImage
PH-interacting protein A149Homo sapiensMutation(s): 0 
Gene Names: PHIPDCAF14WDR11
Find proteins for Q8WWQ0 (Homo sapiens)
Explore Q8WWQ0 
Go to UniProtKB:  Q8WWQ0
NIH Common Fund Data Resources
PHAROS:  Q8WWQ0
Protein Feature View
Expand
  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChainsName / Formula / InChI Key2D Diagram3D Interactions
Y0D
Query on Y0D

Download Ideal Coordinates CCD File 
A
N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
C14 H19 N3 O2 S
JVDHYYWAYKTYDN-UHFFFAOYSA-N
 Ligand Interaction
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.14 Å
  • R-Value Free: 0.212 
  • R-Value Work: 0.183 
  • R-Value Observed: 0.184 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 81.534α = 90
b = 27.235β = 100.18
c = 55.707γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
Aimlessdata scaling
PDB_EXTRACTdata extraction
XDSdata reduction
REFMACphasing

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History 

  • Version 1.0: 2021-02-17
    Type: Initial release