6YCL

Crystal structure of GcoA T296G bound to p-vanillin


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.70 Å
  • R-Value Free: 0.184 
  • R-Value Work: 0.165 
  • R-Value Observed: 0.166 

wwPDB Validation   3D Report Full Report



Literature

Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes

Ellis, E.S.Hinchen, D.J.Bleem, A.Bu, L.Mallinson, S.J.B.Allen, M.D.Streit, B.R.Machovina, M.M.Doolin, Q.V.Michener, W.E.Johnson, C.W.Knott, B.C.Beckham, G.T.McGeehan, J.E.DuBois, J.L.

(2021) Jacs Au 


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  Structure
Entity ID: 1
MoleculeChainsSequence LengthOrganismDetailsImage
Aromatic O-demethylase, cytochrome P450 subunit A409Amycolatopsis sp. ATCC 39116Mutation(s): 1 
Gene Names: gcoA
EC: 1.14.14
Find proteins for P0DPQ7 (Amycolatopsis sp. (strain ATCC 39116 / 75iv2))
Explore P0DPQ7 
Go to UniProtKB:  P0DPQ7
Protein Feature View
Expand
  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChainsName / Formula / InChI Key2D Diagram3D Interactions
HEM
Query on HEM

Download Ideal Coordinates CCD File 
A
PROTOPORPHYRIN IX CONTAINING FE
C34 H32 Fe N4 O4
KABFMIBPWCXCRK-RGGAHWMASA-L
 Ligand Interaction
V55
Query on V55

Download Ideal Coordinates CCD File 
A
4-hydroxy-3-methoxybenzaldehyde
C8 H8 O3
MWOOGOJBHIARFG-UHFFFAOYSA-N
 Ligand Interaction
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.70 Å
  • R-Value Free: 0.184 
  • R-Value Work: 0.165 
  • R-Value Observed: 0.166 
  • Space Group: P 43 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 104.021α = 90
b = 104.021β = 90
c = 116.87γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
XDSdata reduction
XDSdata scaling
PHASERphasing

Structure Validation

View Full Validation Report



Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Biotechnology and Biological Sciences Research Council (BBSRC)United KingdomBB/P011918/1
Department of Energy (DOE, United States)United StatesDE-AC36-08GO28308

Revision History 

  • Version 1.0: 2021-02-17
    Type: Initial release