Detail Information

P450 Protein:

P450 Symbol	CyaH
Protein Name	CyaH
Uniprot ID	A0A6M3FXR1
Species	Actinoalloteichus cyanogriseus
Txid	2893586
P450 Protein Structure	Go to AlphaFold Website Model Confidence (pLDDT) Very high (>90) High (90 > 70) Low (70 > 50) Very low (<50) Powered by PDBe Molstar & AlphaFold
Subcellular Location
Protein Sequence	GO

Reaction Scheme:

(12S)-12-methoxy-8,12-dimethyl-13-[(E)-2-phenylethenyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaene-10,14-dione

CyaH

(3R,3′S)-3′-methoxy-1,3′-dimethyl-2′-[(E)-2-phenylethenyl]spiro[indole-3,6′-pyrrolo[1,2-c]imidazole]-1′,2,5′-trione

Substrate Information:

Substrate Name	(12S)-12-methoxy-8,12-dimethyl-13-[(E)-2-phenylethenyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaene-10,14-dione
Substrate Chemical Formula	C24H21N3O3
Substrate PubChem CID	156580848
Substrate Smiles	C[C@@]1(N(C(=O)C2=CC3=C(C(=O)N21)N(C4=CC=CC=C43)C)/C=C/C5=CC=CC=C5)OC
Substrate Structure	Download SDF

Product Information:

Product Name	(3R,3′S)-3′-methoxy-1,3′-dimethyl-2′-[(E)-2-phenylethenyl]spiro[indole-3,6′-pyrrolo[1,2-c]imidazole]-1′,2,5′-trione
Product Chemical Formula	C24H21N3O4
Product PubChem CID	102143687
Product CAS Number	1615226-09-9
Product Smiles	C[C@@]1(N(C(=O)C2=C[C@]3(C4=CC=CC=C4N(C3=O)C)C(=O)N21)/C=C/C5=CC=CC=C5)OC
Product Structure	Download SDF

References:

Title:	Theoretical Investigation on the Elusive Reaction Mechanism of Spirooxindole Formation Mediated by Cytochrome P450s: A Nascent Feasible Charge-Shift C-O Bond Makes a Difference.
PMID:	34313131
Journal:	Journal of Physical Chemistry B
Year:	2021/7/27