M2BHG

Prompt

6.2.1.10

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. acid--CoA ligase (GDP-forming).

AI Generated Sequence

275 AAs
MSERHIPVPPEWAKETALIDEKTYKEMYQQSITDPEGFWGEQGKILDWIKPFKIVKNTSFDPGHVDIRWFEDGTLNASYNCLDRHLAERGDERAIIWFGDDPSEQKKITYRELHKEVCRFANVLRKQGVKKGDVTTIYMPMVPEAVVAMLACARIGAVHSVIFGGFSPEAIAARIIDSDSKVVITADEGPRGGRKIPLKANIDEALTNPDTSVEKCVIVYRATGGDIPWVEGRDIWYHDLMGQASGHCPPEPMGAEDPLFILYTSGSTGKPKGVL

Ligand/Cofactor

GTP

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N

Validation Metrics

PLDDT94.1
NLMSIM70.0
AACOMP92.3
Seqdif (SeqID)26.5 (MBP3364695.1)
Structdif (F-Target)15.4 (8g0u C)

ProtNLM

NameScore
Acetyl-coenzyme A synthetase0.499
6.2.1.10.353
Acetyl-CoA synthetase0.069
AMP-binding protein0.017
Propionyl-CoA synthetase0.011
Acetate--CoA ligase0.009
Designed by MP, using an AMD MI250 GPU