6SDC

Crystal structure of D1228V cMET bound by foretinib


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.67 Å
  • R-Value Free: 0.242 
  • R-Value Work: 0.201 

wwPDB Validation 3D Report Full Report


This is version 1.0 of the entry. See complete history

Literature

Structural and molecular insight into resistance mechanisms of first generation cMET inhibitors

Collie, G.W.Koh, C.M.O'Neill, D.J.Stubbs, C.J.Khurana, P.Eddershaw, A.Snijder, A.Mauritzson, F.Barlind, L.Dale, I.L.Shaw, J.Phillips, C.Hennessy, E.J.Cheung, T.Narvaez, A.J.

(2019) Acs Med.Chem.Lett. --: --


Macromolecules

Find similar proteins by: Sequence  |  Structure

Entity ID: 1
MoleculeChainsSequence LengthOrganismDetails
Hepatocyte growth factor receptor
A
309Homo sapiensMutation(s): 1 
Gene Names: MET
EC: 2.7.10.1
Find proteins for P08581 (Homo sapiens)
Go to Gene View: MET
Go to UniProtKB:  P08581
Small Molecules
Ligands 1 Unique
IDChainsName / Formula / InChI Key2D Diagram3D Interactions
88Z
Query on 88Z

Download SDF File 
Download CCD File 
A
N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
C34 H34 F2 N4 O6
CXQHYVUVSFXTMY-UHFFFAOYSA-N
 Ligand Interaction
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.67 Å
  • R-Value Free: 0.242 
  • R-Value Work: 0.201 
  • Space Group: P 21 21 21
Unit Cell:
Length (Å)Angle (°)
a = 42.574α = 90.00
b = 80.396β = 90.00
c = 91.306γ = 90.00
Software Package:
Software NamePurpose
BUSTERrefinement
PHASERphasing
DIALSdata scaling
PDB_EXTRACTdata extraction
DIALSdata reduction

Structure Validation

View Full Validation Report or Ramachandran Plots



Entry History 

Deposition Data

Revision History 

  • Version 1.0: 2019-08-14
    Type: Initial release