M40TS

Prompt

6.2.1.13

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

AI Generated Sequence

500 AAs
MSEKIYPVPKEWAENALIDNEKYLEMYEQSVENPEKFWGEHGKRIDWFKPYTKVKNTSFDGKVSIKWFEDGLTNVSYNCIDRHLKTRGDQTAIIWEGDNPSLDKHITYNELHEHVCRMANVLKKHGVKKGDRVTIYMPMIPEAAYAMLACARIGAVHSVVFGGFSPDALAGRIVDCESTVVITADEGVRGGKPVPLKENTDKAIDIAGKYNVSNVVVVKRTGGKVGMVDGRDVWYHEEAEAVSDDCPPEKMNAEDPLFILYTSGSTGKPKGVLHTTGGYLVYASMTHQYVFDYHDGDVYWCTADVGWVTGHSYIVYGPLANGATTLMFEGVPNYPDASRFWEVIDKHQVNIFYTAPTAIRALMGEGDEPVKKTSRKSLRVLGSVGEPINPEAWEWYYNVVGDSRCPIVDTWWQTETGGILITPLPGATDLKPGSATRPFFGVQPELVDAEGKVIEGAAEGNLCIKDSWPGQMRTVYGDHQRFEQTYFSTYKGKYFTGDGC

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

PLDDT90.1
NLMSIM70.0
AACOMP91.5
Seqdif (SeqID)14.7 (WP_227344625.1)
Structdif (F-Target)3.2 (7kdn C)

ProtNLM

NameScore
Acs0.292
6.2.1.10.170
Acetyl-coenzyme A synthetase0.158
Acetate--CoA ligase0.147
AcCoA synthetase0.117
Acyl-activating enzyme0.111
Designed by MP, using an AMD MI250 GPU