MGEFY

Prompt

1.13.11.16

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. 3-carboxyethylcatechol 2,3-dioxygenase.

AI Generated Sequence

313 AAs
MTAILCPVSHSPLSGYVDPAHELIDEVDGALAAAREFVADFDPELVVLFPSDHYNGFFYDFMPPFCGMKAATAGDYGSHAGPLRVPVELAADCAAHVWDEGIDLCVSYSMQVDHGFCQPLEQLCGGLADRPVVPVIFNSVAEALGLAQRARALAGAIGRFADTLGKRVLFLGSGGLSHHPPVPPLAAPDARLGAHLIGSGDLTLPAERQRQGSRVIAAAGEFVADRPHLPPLNPWNDQFLEVLTHDGRFQSVDRVTNAVTAHGDNSSAHITNAWVAFAALSALGEWQAENARYRPIPEWIAGFMLSARVEPTR

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

PLDDT74.9
NLMSIM70.0
AACOMP91.2
Seqdif (SeqID)41.1 (HBC9838185.1)
Structdif (F-Target)21.1 (1bou D)

ProtNLM

NameScore
2,3-dihydroxyphenylpropionate/2,3-dihydroxicinnamic acid 1,2-dioxygenase0.360
3-carboxyethylcatechol 2,3-dioxygenase0.324
1.13.11.160.279
2,3-dihydroxyphenylpropionate 1,2-dioxygenase0.006
LigB domain-containing protein0.004
Extradiol dioxygenase0.002
Designed by MP, using an AMD MI250 GPU