5CVJ

Monolignol 4-O-methyltransferase 5 - coniferyl alcohol


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.80 Å
  • R-Value Free: 0.180 
  • R-Value Work: 0.151 
  • R-Value Observed: 0.152 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.2 of the entry. See complete history


Literature

Structure of coniferyl alcohol bound monolignol 4-O-methyltransferase at 1.68 Angstroms resolution

Cai, Y.Liu, C.-J.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
(Iso)eugenol O-methyltransferaseA [auth D],
B [auth A],
C [auth B],
D [auth C]
368Clarkia breweriMutation(s): 5 
Gene Names: IEMT1
EC: 2.1.1.146
UniProt
Find proteins for O04385 (Clarkia breweri)
Explore O04385 
Go to UniProtKB:  O04385
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupO04385
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
SAH
Query on SAH

Download Ideal Coordinates CCD File 
E [auth D],
J [auth A],
O [auth B],
Y [auth C]
S-ADENOSYL-L-HOMOCYSTEINE
C14 H20 N6 O5 S
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
N7I
Query on N7I

Download Ideal Coordinates CCD File 
F [auth D],
K [auth A],
P [auth B],
Z [auth C]
4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
C10 H12 O3
JMFRWRFFLBVWSI-NSCUHMNNSA-N
NO3
Query on NO3

Download Ideal Coordinates CCD File 
AA [auth C]
BA [auth C]
CA [auth C]
DA [auth C]
G [auth D]
AA [auth C],
BA [auth C],
CA [auth C],
DA [auth C],
G [auth D],
H [auth D],
I [auth D],
L [auth A],
M [auth A],
N [auth A],
Q [auth B],
R [auth B],
S [auth B],
T [auth B],
U [auth B],
V [auth B],
W [auth B],
X [auth B]
NITRATE ION
N O3
NHNBFGGVMKEFGY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.80 Å
  • R-Value Free: 0.180 
  • R-Value Work: 0.151 
  • R-Value Observed: 0.152 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 66.07α = 90
b = 150.36β = 93.19
c = 67.93γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
SCALAdata scaling
MOSFLMdata reduction
MOLREPphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Department of Energy (DOE, United States)United StatesDEAC0298CH10886

Revision History  (Full details and data files)

  • Version 1.0: 2015-09-16
    Type: Initial release
  • Version 1.1: 2019-12-04
    Changes: Author supporting evidence, Derived calculations
  • Version 1.2: 2024-03-06
    Changes: Data collection, Database references