6RP3

Truncated Norcoclaurine synthase with reaction intermediate mimic


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.81 Å
  • R-Value Free: 0.244 
  • R-Value Work: 0.194 

wwPDB Validation 3D Report Full Report


This is version 1.0 of the entry. See complete history

Literature

Acceptance and Kinetic Resolution of alpha-Methyl-Substituted Aldehydes by Norcoclaurine Synthases

Roddan, R.Gygli, G.Sula, A.Lichman, B.R.Pleiss, J.Ward, J.M.Keep, N.H.Hailes, H.C.

(2019) Acs Catalysis --: --


Macromolecules

Find similar proteins by: Sequence  |  Structure

Entity ID: 1
MoleculeChainsSequence LengthOrganismDetails
S-norcoclaurine synthase
A
165Thalictrum flavum subsp. glaucumMutation(s): 0 
EC: 4.2.1.78
Find proteins for Q67A25 (Thalictrum flavum subsp. glaucum)
Go to UniProtKB:  Q67A25
Small Molecules
Ligands 2 Unique
IDChainsName / Formula / InChI Key2D Diagram3D Interactions
EDO
Query on EDO

Download SDF File 
Download CCD File 
A
1,2-ETHANEDIOL
ETHYLENE GLYCOL
C2 H6 O2
LYCAIKOWRPUZTN-UHFFFAOYSA-N
 Ligand Interaction
KCZ
Query on KCZ

Download SDF File 
Download CCD File 
A
4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol
C17 H21 N O2
NXTJHSKVIAFFNX-ZDUSSCGKSA-N
 Ligand Interaction
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.81 Å
  • R-Value Free: 0.244 
  • R-Value Work: 0.194 
  • Space Group: P 32 2 1
Unit Cell:
Length (Å)Angle (°)
a = 62.256α = 90.00
b = 62.256β = 90.00
c = 73.579γ = 120.00
Software Package:
Software NamePurpose
DIALSdata reduction
Aimlessdata scaling
REFMACrefinement
PDB_EXTRACTdata extraction
PHASERphasing

Structure Validation

View Full Validation Report or Ramachandran Plots



Entry History 

Deposition Data

Revision History 

  • Version 1.0: 2019-10-09
    Type: Initial release