M3B6R

Prompt

6.2.1.16

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

AI Generated Sequence

644 AAs
MSEKLYPVPEEVAKNALIDNETYQKMYQESIKNPDGFWAEQGKRIDWIKPFTKVKNTSFDGNVSIKWFEDGLTNVSYNCIDRHLKTRGDQVAIIWEGDNPSDSKKITYRELHEQVCRMANVLKTRGVKKGDRVTIYMPMIPEAAYAMLACARIGAVHSVVFGGFSPDALAGRIVDCESKVVITADEGLRGGKKIPLKANVDKALDKIPNVKTVIVVKRTGGDVPMVEGRDVWYHEETAQVSDYCPAEPMDAEDPLFILYTSGSTGKPKGVLHTTGGYLVYASMTFKYVFDYHEGDVYWCTADVGWVTGHSYIVYGPLANGATTLMFEGVPNYPDSGRFWQVVDKHKVNIFYTAPTAIRALMGQGDEPVKKTSRKSLRLLGSVGEPINPEAWEWYYNVVGESRCPIVDTWWQTETGGIMITPLPGATDLKPGSATRPFFGVQPVLVDEEGNELEGAASGNLVIKASWPGQMRTVYGDHQRFIQTYFSTYPGMYFTGDGCRRDEDGYYWITGRVDDVINVSGHRMGTAEVESALVLHDKVAEAAVVGYPHDIKGQGIYAYVTLMNGEEPTDELRKELVGWVRKEIGPIASPDLIQWAPGLPKTRSGKIMRRILRKIACNELDSLGDTSTLADPSVVDDLIENRMNR

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

PLDDT87.3
NLMSIM70.0
AACOMP93.0
Seqdif (SeqID)17.7 (WP_073014892.1)
Structdif (F-Target)3.0 (8g0t B)

ProtNLM

NameScore
Acs0.293
6.2.1.10.167
Acetyl-coenzyme A synthetase0.160
Acetate--CoA ligase0.146
AcCoA synthetase0.117
Acyl-activating enzyme0.111
Designed by MP, using an AMD MI250 GPU