3DKO

Complex between the kinase domain of human ephrin type-a receptor 7 (epha7) and inhibitor alw-ii-49-7


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.232 
  • R-Value Work: 0.189 
  • R-Value Observed: 0.191 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.3 of the entry. See complete history


Literature

Kinase domain of human ephrin type-a receptor 7 (epha7) in complex with ALW-II-49-7

Walker, J.R.Syeda, F.Gray, N.Butler-Cole, C.Bountra, C.Wolkstrom, M.Arrowsmith, C.H.Edwards, A.M.Bochkarev, A.Dhe-Paganon, S.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Ephrin type-A receptor 7318Homo sapiensMutation(s): 0 
Gene Names: EPHA7EHK3HEK11
EC: 2.7.10.1
UniProt & NIH Common Fund Data Resources
Find proteins for Q15375 (Homo sapiens)
Explore Q15375 
Go to UniProtKB:  Q15375
PHAROS:  Q15375
GTEx:  ENSG00000135333 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ15375
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
IHZ
Query on IHZ

Download Ideal Coordinates CCD File 
B [auth A]5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
C21 H17 F3 N4 O2
SAAYRHKJHDIDPH-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.232 
  • R-Value Work: 0.189 
  • R-Value Observed: 0.191 
  • Space Group: P 65
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 52.658α = 90
b = 52.658β = 90
c = 217.059γ = 120
Software Package:
Software NamePurpose
PHASERphasing
REFMACrefinement
SBC-Collectdata collection
HKL-2000data reduction
HKL-2000data scaling

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History 

Revision History  (Full details and data files)

  • Version 1.0: 2008-08-19
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Version format compliance
  • Version 1.2: 2017-10-25
    Changes: Refinement description
  • Version 1.3: 2023-08-30
    Changes: Data collection, Database references, Derived calculations, Refinement description