M40CC

Prompt

6.2.1.16

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

AI Generated Sequence

649 AAs
MSEKLYPVPAEAAARAHIDNATYQAWYARSVADPAGFWAEQGKRIDWFKPFTKVKNTSFDGKVSIKWFEDGLTNVSYNCIDRHLATRGDQVAIIWEGDNPSYSKHITYRELHAEVCRMANVLKKHGVKKGDRVTIYLPMIPEAAYAMLACARIGAIHSVVFGGFSPDALAGRIVDCQSTFVITADEGVRGGKAVPLKANTDKAIDIAGKQYPSVKTVLVVKRTGGKVAWVDGRDVWYHQETATVQPDCPPEPMKAEDPLFILYTSGSTGKPKGVLHTTGGYLVYTSMTHQYVFDYHDGDVYWCTADVGWVTGHSYIVYGPLANGATTLMFEGVPNYPTQSRFWEIIDKHKVNIFYTAPTALRALMGAGDAFVTKTSRKSLRLLGSVGEPINPEAWEWYYHVVGDSRCPIVDTWWQTETGGILITPLPGATDLKPGSATRPFFGVQPVLVDNEGNVLEGAADGNLCITDSWPGQMRTVYGDHQRFIQTYFSTYKGKYFTGDGCRRDADGYYWITGRVDDVLNVSGHRLGTAEVESALVSHASVSEAAVVGYPHDIKGQGIYCYVTLMAGHEGTDALRKELVKHVRKEIGPIATPDLIQFAPGLPKTRSGKIMRRILRKIAENDFGALGDTSTLADPAVVDDLIANRQNRG

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

PLDDT88.2
NLMSIM70.0
AACOMP93.3
Seqdif (SeqID)14.0 (WP_310067861.1)
Structdif (F-Target)3.7 (8g0v C)

ProtNLM

NameScore
Acs0.297
6.2.1.10.166
Acetyl-coenzyme A synthetase0.160
Acetate--CoA ligase0.147
AcCoA synthetase0.113
Acyl-activating enzyme0.111
Designed by MP, using an AMD MI250 GPU