6CJO

Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation.


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.4 Å
  • R-Value Free: 0.253 
  • R-Value Work: 0.231 

wwPDB Validation 3D Report Full Report


This is version 1.0 of the entry. See complete history

Literature

Dynamics and Bifunctional Substrate Activation by an Arginine Drive Catalysis in Plant Chalcone Isomerases

Burke, J.R.La Clair, J.J.Philippe, R.N.Pabis, A.Jez, J.M.Cortina, G.Kaltenbach, M.Bowman, M.E.Woods, K.B.Nelson, A.T.Tawfik, D.S.Kamerlin, S.C.L.Noel, J.P.

To be published.

Macromolecules

Find similar proteins by: Sequence  |  Structure

Entity ID: 1
MoleculeChainsSequence LengthOrganismDetails
Chalcone--flavonone isomerase 1
A, B
225Medicago sativaMutation(s): 1 
Gene Names: CHI1 (CHI-1)
EC: 5.5.1.6
Find proteins for P28012 (Medicago sativa)
Go to UniProtKB:  P28012
Small Molecules
Ligands 1 Unique
IDChainsName / Formula / InChI Key2D Diagram3D Interactions
SO4
Query on SO4

Download SDF File 
Download CCD File 
A, B
SULFATE ION
O4 S
QAOWNCQODCNURD-UHFFFAOYSA-L
 Ligand Interaction
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.4 Å
  • R-Value Free: 0.253 
  • R-Value Work: 0.231 
  • Space Group: P 65 2 2
Unit Cell:
Length (Å)Angle (°)
a = 90.395α = 90.00
b = 90.395β = 90.00
c = 351.775γ = 120.00
Software Package:
Software NamePurpose
XDSdata reduction
PHASERphasing
SCALAdata scaling
PHENIXrefinement

Structure Validation

View Full Validation Report or Ramachandran Plots



Entry History 

Deposition Data

Revision History 

  • Version 1.0: 2019-03-13
    Type: Initial release