MH9XK

Prompt

1.13.12.16

Oxidoreductases. Acting on single donors with incorporation of molecular oxygen (oxygenases). The oxygen incorporated need not be derived from O2. With incorporation of one atom of oxygen (internal monooxygenases or internal mixed function oxidases). nitronate monooxygenase.

AI Generated Sequence

499 AAs
MTTPLTERLGLPLIVAGPMFWGSDPALAAAVSKAGGLGFIPSGLQMPDDLRAEIAETRALTDRRPFGVNLFVHRPPYDADVVAIVLEHRPEVEFSFGNPRPYVDAVHAWGGIVVAPVTNVRHAHRLKAAGADAVVAQGFEAGGHLREETSMLVLPQVRDAVDIPVIAAGGIADGRGIAAALALGAEGVQMGTAFLATQEASVHPEYKAAFLAARDDVVRTRPFLTGKPARLLRNSFRERFDLLEALVPEPYAQLDLTGRARRAAVDGRLDGDDDILWAGQSGLHRIRDRVMGMLFGGVHETTASTVRHELLALARHPELQAAVRAEIDGVLGVHGELTLEGLRDVPYLDAVIRETLRLAAPIAFSRHRVARDVCFADGFVLRAGGRVGMHAWALHNDEAIFDDPARFDPERWLAARGRDGTRLMHLPFGAGRVACAKGDLAGIEIAVLLARLLAEFDWEQVGPGSRMDHRMEGLGISPREIAAVRAAVAAFGAAAAAAA

Ligand/Cofactor

FAD

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O

Validation Metrics

PLDDT75.8
NLMSIM70.0
AACOMP88.6
Seqdif (SeqID)53.1 (MDK2784860.1)
Structdif (F-Target)22.5 (7l00 A)

ProtNLM

NameScore
2-nitropropane dioxygenase0.266
Nitronate monooxygenase0.145
Monooxygenase0.044
Enoyl-[acyl-carrier-protein] reductase [FMN]0.044
1.13.12.160.034
Enoyl-CoA hydratase0.033
Designed by MP, using an AMD MI250 GPU