MUOAE

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
MPAIHLCLSHSPLFGYLDPAQELVDAVDGAFAAAREFVADFDPHLVVIFAPDHYNGFFYDVLPPQFAMKAAATGKDYGSWAGYLPVPVELANACARSVWKEGIDVAWSYDMQVDHGCTQPLNQLWGGLDRFRPVVPIFNSVATALGLARRARALGEALGAFAATLGKRVLFLGSGGLSHQPPVPPTAPDPARVGERLHDGGILTPAAREQRQSGVIRAADGWVAGDPRHLPNLPVWNDQFLELWAAGRFQAVDHAVNAAISAAGASSAHEFFAWVAFAAALAALPAYRAYNRYYRPIAEWFAGYMSLRARTLN

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

PLDDT79.0
NLMSIM95.0
AACOMP88.6
Seqdif (SeqID)45.8 (WP_106631540.1)
Structdif (F-Target)19.1 (1bou D)

ProtNLM

NameScore
1.13.11.160.371
3-carboxyethylcatechol 2,3-dioxygenase0.359
2,3-dihydroxyphenylpropionate/2,3-dihydroxicinnamic acid 1,2-dioxygenase0.229
2,3-dihydroxyphenylpropionate 1,2-dioxygenase0.007
LigB domain-containing protein0.004
Dioxygenase0.002
Designed by MP, using an AMD MI250 GPU