MUDAX

Prompt

6.2.1.48

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

AI Generated Sequence

246 AAs
MIDALGGDRFQRMWDDLVQGHPKTALICESEGERVRFSYLELEQEINRTANLFYALGIRKGDKVAVHVDNCPEYIFCCFGLAKIGAMMVNIAARLLREESAWIVQNAQAPCLITSEAFLPMIDQIQLQDCTQLDNRCLLIDHLAADEGVPHFSLQNRQQGLTCVYTPPLTDDETARILFSGTTGRPKGVCISHYNLFRFAGYVSGWQIALRDDNVYMTVPEAFTIDCQTAAMPHAFSGATFVLREK

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

PLDDT80.5
NLMSIM70.0
AACOMP94.4
Seqdif (SeqID)34.0 (HCR8539294.1)
Structdif (F-Target)19.6 (8gym 2)

ProtNLM

NameScore
Crotonobetaine/carnitine-CoA ligase0.243
6.2.1.270.156
AMP-binding domain-containing protein0.088
6.2.1.30.067
Long-chain-fatty-acid--CoA ligase0.038
Acyl-CoA synthetase0.036
Designed by MP, using an AMD MI250 GPU