M9D7I

Prompt

6.2.1.13

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. acetate--CoA ligase (ADP-forming).

AI Generated Sequence

289 AAs
MSEKIYPVPAEWAKNAHIDKAAYEAMYAESVKDPDGFWGEHGKRIDWFTKPYTKVKNSFDGKDFDIKWFEGGLTNCSYNCVDRHLKTRGDQTAIIWEGDNPTDEKHITYGELHENVCRFANVLKEQGVKKGDRVTIYMPMIPEAAYAMLACARIGAVHSVVFGGFSPEALSGRIIDCESKVVITADEGPRGKKPIPLKANTDEALAIAPGVTVSETVLVFRRTGKAVDWQAGRDVWYHDEMAAVSPDCEPEPMNAEDPLFILYTSGSTGTPKGVLHTTGGYMVYASMTH

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

PLDDT90.0
NLMSIM90.0
AACOMP91.9
Seqdif (SeqID)27.6 (WP_278499867.1)
Structdif (F-Target)13.8 (8g0u C)

ProtNLM

NameScore
Acetyl-coenzyme A synthetase0.501
6.2.1.10.381
Acetyl-CoA synthetase0.052
Acetate--CoA ligase0.023
AMP-binding protein0.011
AMP-binding enzyme0.004
Designed by MP, using an AMD MI250 GPU