MI0XT

Prompt

6.2.1.16

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

AI Generated Sequence

500 AAs
MSEKIYPVPEEFAKRAHIDNEKYLEMYEQSVENPEKFWGEQGKRIDWFKPYTKVKNTSFDKDVSIKWFEDGKTNVSYNCIDRHLKTRGDQTAIIWEGDNPSVEKHITYNELHEHVCRMANVLKKNGVKKGDRVTIYMPMIPEAAYAMLACARIGAIHSVVFGGFSPDALAGRIEDCESKFVITADEGLRGGKPVPLKENTDKALDIAKKHNVEKVVVVKRTGGKVGMVEGRDVWYHEEVEKVSDHCEPEPMNAEDPLFILYTSGSTGKPKGVLHTTGGYLVYASMTHQYVFDYHDGDVYWCTADVGWVTGHSYIVYGPLANGATTLMFEGVPTYPSASRFWQVCDKHKVNIFYTAPTAIRALMGEGDEPVKKTSRKSLRLLGSVGEPINPEAWEWYYNVVGDKRCPIVDTWWQTETGGILITPLPGATDLKPGSATRPFFGVKPALVDEEGKELEGATEGNLCIKDSWPGQMRTVYGDHQRFIQTYFSTYKGKYFTGDGC

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

PLDDT91.5
NLMSIM70.0
AACOMP91.3
Seqdif (SeqID)16.5 (TCS27048.1)
Structdif (F-Target)3.0 (7kdn C)

ProtNLM

NameScore
Acs0.293
6.2.1.10.168
Acetyl-coenzyme A synthetase0.160
Acetate--CoA ligase0.147
AcCoA synthetase0.115
Acyl-activating enzyme0.112
Designed by MP, using an AMD MI250 GPU