MGKFI

Prompt

1.13.11.2

Oxidoreductases. Acting on single donors with incorporation of molecular oxygen (oxygenases). The oxygen incorporated need not be derived from O2. With incorporation of two atoms of oxygen. catechol 2,3-dioxygenase.

AI Generated Sequence

307 AAs
MTGIMRLGHVQLRVLDMAAAREHYVDVLGMIEERDDEDGRVYLRAWTEDKHFSVILREKDDPGAYMCGFKVASEDGLAKQVDDLAAYGCRVEQLPAGEENVCGDRMRFAQPSGHHFELYAEKEYTGKGWVGNEPNPAWPRDLRGMGVVRFDHCILHADDLDRVYELFTEVLGFRYTEQQIVDPDGKIAAYFHLCSSKAHDVAFIHHPRSGRFHHVSFWLETWNDVLRAADIISMTDTSIDIGPTRHGITRQTIYFYFDPSGNRIECFGGGEYVYDHKPHVWTLADLGHKAIFHDRTNLRESFMSVVD

Ligand/Cofactor

NAD(+)

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

Validation Metrics

PLDDT81.5
NLMSIM90.0
AACOMP91.8
Seqdif (SeqID)35.6 (WP_019752929.1)
Structdif (F-Target)6.7 (1mpy D)

ProtNLM

NameScore
1.13.11.20.366
Catechol 2,3-dioxygenase0.261
CatO2ase0.177
Metapyrocatechase0.175
3,4-dihydroxyphenylacetate 2,3-dioxygenase0.002
Manganese-dependent 2,3-dihydroxybiphenyl 1,2-dioxygenase0.001
Designed by MP, using an AMD MI250 GPU