Detail Information

P450 Protein:

P450 SymboljuvD
Protein NameCytochrome P450 epoxidase
Uniprot IDA0A1Z1MZ59
SpeciesMicromonospora chalcea subsp. izumensis
Txid 2008351
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 C31H51NO8 → C31H51NO9
Reaction TypeOxidation
Chemical BondCH
SolventsDimethyl sulfoxide;Water
Conditionsovernight, pH 7.3, 30°C
TransformationsHydroxylation at an Aliphatic Carbon

Cirramycin A1, 12,13-deepoxy-12,13-didehydro-4-deoxy-, (12E)- (9CI, ACI)

juvD

Tylosin, 23-O-de(6-deoxy-2,3-di-O-methyl-.beta.-D-allopyranosyl)-4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo- (ACI)

Substrate Information:

Substrate Name Cirramycin A1, 12,13-deepoxy-12,13-didehydro-4-deoxy-, (12E)- (9CI, ACI)
Substrate Chemical FormulaC31H51NO8
Substrate PubChem CID41968
Substrate SmilesO=CCC1CC(C(=O)C=CC(=CC(C)C(OC(=O)CC(O)C(C)C1OC2OC(C)CC(N(C)C)C2O)CC)C)C
Substrate Structure

Product Information:

Product Name Tylosin, 23-O-de(6-deoxy-2,3-di-O-methyl-.beta.-D-allopyranosyl)-4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo- (ACI)
Product Chemical FormulaC31H51NO9
Product PubChem CID78410181
Product CAS Number80240-61-5
Product SmilesO=CCC1CC(C(=O)C=CC(=CC(CO)C(OC(=O)CC(O)C(C)C1OC2OC(C)CC(N(C)C)C2O)CC)C)C
Product Structure

References:

Title: Chemoenzymatic Total Synthesis and Structural Diversification of Tylactone-Based Macrolide Antibiotics through Late-Stage Polyketide Assembly, Tailoring, and C-H Functionalization.
PMID: 28525276
Journal: Journal of the American Chemical Society
Year: 2017/6/5

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