MP52D

Prompt

6.2.1.1

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

AI Generated Sequence

297 AAs
MSEKIYPVPAEWAKNAHIDNEAYQKMYEESVKDPEGFWGEHGKRIDWFKPYTKVKNTSFDGDFDIKWFEGGLTNCSYNCLDRHLKTRGDQVAIIWEGDNPSDEKHITYGELHENVCRMANVLKEQGVKKGDRVTIYMPMIPEAAYAMLACARIGAVHSIVFGGFSPESLRGRIVDCESKTVITADEGVRGKKPITLKQNTDEALDIAPGVTSVVVFRHTGQGVDWMEGRDIWYHEAMAQVSPYCEPEPMNAEDPLFILYTSGSTGTPKGVLHTTAGYLVYASMTHQYVFDYQPGTYG

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

PLDDT93.6
NLMSIM70.0
AACOMP92.0
Seqdif (SeqID)25.5 (WP_247642558.1)
Structdif (F-Target)12.6 (8g0u C)

ProtNLM

NameScore
Acetyl-coenzyme A synthetase0.514
6.2.1.10.376
Acetyl-CoA synthetase0.054
Acetate--CoA ligase0.022
AMP-binding protein0.007
AMP-binding enzyme0.002
Designed by MP, using an AMD MI250 GPU