5QSO

PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z466628048


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.70 Å
  • R-Value Free: 0.295 
  • R-Value Work: 0.228 
  • R-Value Observed: 0.232 

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

Newman, J.A.Katis, V.L.Gavard, A.E.von Delft, F.Arrowsmith, C.H.Edwards, A.Bountra, C.Gileadi, O.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Cohesin subunit SA-1
A, B
459Homo sapiensMutation(s): 0 
Gene Names: STAG1SA1SCC3
UniProt & NIH Common Fund Data Resources
Find proteins for Q8WVM7 (Homo sapiens)
Explore Q8WVM7 
Go to UniProtKB:  Q8WVM7
PHAROS:  Q8WVM7
GTEx:  ENSG00000118007 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8WVM7
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
O2M (Subject of Investigation/LOI)
Query on O2M

Download Ideal Coordinates CCD File 
C [auth A]N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
C9 H10 N4 O S
URRZFISTFWQMHO-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.70 Å
  • R-Value Free: 0.295 
  • R-Value Work: 0.228 
  • R-Value Observed: 0.232 
  • Space Group: P 21 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 155.547α = 90
b = 167.538β = 90
c = 48.007γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
Aimlessdata scaling
PDB_EXTRACTdata extraction
XDSdata reduction
REFMACphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2019-08-21
    Type: Initial release
  • Version 1.1: 2024-03-06
    Changes: Data collection, Database references