Detail Information

P450 Protein:

P450 SymbolgcoA
Protein NameAromatic O-demethylase, cytochrome P450 subunit
Uniprot IDP0DPQ7
EC Number1.14.14.-
SpeciesAmycolatopsis sp. (strain ATCC 39116 / 75iv2)
Txid 385957
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Subcellular Location/
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C8H10O2 + C27H33N9O15P2-2 + O2 → C6H6O2 + 75-07-0 + C27H30N9O15P2-3 + H2O + H+
Reaction TypeDecomposition
Chemical BondC-O
RheaID 57436

Guaethol

+

FADH2

+

O2

gcoA

Catechol

+

Acetaldehyde

+

FAD

+

H2O

+

H+

Substrate Information:

Substrate Name Guaethol
Substrate Chemical FormulaC8H10O2
Substrate PubChem CID66755
Substrate SmilesCCOC1=CC=CC=C1O
Substrate Structure
Substrate Name FADH2
Substrate Chemical FormulaC27H33N9O15P2-2
Substrate PubChem CID46931118
Substrate SmilesCC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O
Substrate Structure
Substrate Name O2
Substrate Chemical FormulaO2
Substrate PubChem CID977
Substrate CAS Number7782-44-7
Substrate SmilesO=O
Substrate Structure

Product Information:

Product Name Catechol
Product Chemical FormulaC6H6O2
Product PubChem CID289
Product SmilesC1=CC=C(C(=C1)O)O
Product Structure
Product Name Acetaldehyde
Product Chemical Formula75-07-0
Product PubChem CID177
Product SmilesCC=O
Product Structure
Product Name FAD
Product Chemical FormulaC27H30N9O15P2-3
Product PubChem CID46906035
Product SmilesCC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])C[C@@H]([C@@H]([C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O
Product Structure
Product Name H2O
Product Chemical FormulaH2O
Product PubChem CID962
Product CAS Number7732-18-5
Product SmilesO
Product Structure
Product Name H+
Product Chemical FormulaH+
Product PubChem CID1038
Product CAS Number12408-02-5
Product Smiles[H+]
Product Structure

References:

Title: A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
PMID: 29950589
Journal: Nature communications
Year: 2018/6/27

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
© Department of Bioinformatics