PDBsum entry 6r3f

Lyase

PDB id: 6r3f

Contents

Protein chain

500 a.a.

Ligands

JQK

Metals

_MN

__K ×2

Waters ×441

PDB id:

6r3f

Name:

Lyase

Title:

Aspergillus niger ferulic acid decarboxylase (fdc) e282q variant in complex with the covalent adduct formed between prfmn cofactor and cinnamic acid (int2)

Structure:

Ferulic acid decarboxylase 1. Chain: a. Synonym: phenacrylate decarboxylase. Engineered: yes. Mutation: yes

Source:

Aspergillus niger. Organism_taxid: 5061. Gene: fdc1, an03g06590. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.25Å R-factor: 0.137 R-free: 0.170

Authors:

S.S.Bailey,D.Leys

Key ref:

S.S.Bailey et al. Atomic description of an enzyme reaction dependent on reversible 1,3-Dipolar cycloaddition. To be published, .

Date:

20-Mar-19 Release date: 28-Aug-19

Protein chain

A2QHE5  (FDC1_ASPNC) -  Ferulic acid decarboxylase 1 from Aspergillus niger (strain ATCC MYA-4892 / CBS 513.88 / FGSC A1513)

Seq: 500 a.a.

Struc: 500 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.4.1.1.102 - phenacrylate decarboxylase.
• Reaction:
  1. (E)-4-coumarate + H⁺ = 4-vinylphenol + CO2
  2. (E)-cinnamate + H⁺ = styrene + CO2
  3. (E)-ferulate + H⁺ = 2-methoxy-4-vinylphenol + CO2
• Cofactor: Prenyl-FMNH(2)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site