MHNQ3

Prompt

6.2.1.16

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. acetoacetate--CoA ligase.

AI Generated Sequence

283 AAs
MSERIYPVPPEWAKNALIDNKTYEKMYEQSINDPDGFWGEMGKRIDWFKPYTKVKNTSFDGGNVSIKWFEDGTLNASYNCIDRHLKTRGDQTAIIWEGDNPSESKKITYKELHEHVCRFANVLKKQGVKKGDVVTIYMPMIPEAAYAMLACARIGAIHSVVFGGFSPEAIAGRIIDCDCKVVITADEGPRGGKPIPLKANVDKALAIAPTVKEVIVVTRTGGKVDWVEGRDIWYHEVVGQVSDCCPPEPMNAEDPLFILYTSGSTGKPKGVLHTTGGYLVAAA

Ligand/Cofactor

ATP

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

Validation Metrics

PLDDT94.5
NLMSIM60.0
AACOMP91.1
Seqdif (SeqID)24.4 (WP_144706312.1)
Structdif (F-Target)13.7 (8g0u C)

ProtNLM

NameScore
Acetyl-coenzyme A synthetase0.514
6.2.1.10.375
Acetyl-CoA synthetase0.050
Acetate--CoA ligase0.015
AMP-binding protein0.010
Propionyl-CoA synthetase0.004
Designed by MP, using an AMD MI250 GPU