MMYTH

Prompt

6.2.1.48

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

AI Generated Sequence

518 AAs
MDIIGGQHLNQMWDDLVADYGHKTALIFESGGVVRNFSYSELNQEINRTANLFYTLGIRKGDKVALHLDNCPEFIFTWFGLAKIGAIMVPINARLLGEESAWILQNSQVCLLVTSAQFLPMYQQIRQEDSTPLRHICITVDMLPADDGVSHFTQLKNQQPATLCYTPPLSTDDTAEILFTSGTTGSRPKGVVITHNLRFAGYYSAWQIALRDDDVYLTVMPAFHIDCQCTAAMPAFSAGSTFVLLEKYSARAFWGQVTKYRATITECIPMMIRTLMVQPPSANERQHHLREVMFYLNLSAQEKDAFCTERFGVRLLTSYGMTETIVGIIGDRPGDKRRWPSIGRAGFSYEAEIRDDQNRPLPAGEIGEIICKGIPGKTIFKEYYFNPKATAKALEADGWLHTGDTGYRDEEGFFYFVDRRCNMIKRGGENVSCVELENIIAAHPKIQDIVVVGIKDSIRDEAIKAFIVLRNGETLSEEEFFRFCENNMAKFKVPSYLEIRKDLPRNCSGKIIRKNLKK

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

PLDDT90.6
NLMSIM60.0
AACOMP95.0
Seqdif (SeqID)8.9 (WP_097422761.1)
Structdif (F-Target)6.6 (3day A)

ProtNLM

NameScore
Crotonobetaine/carnitine--CoA ligase0.476
6.2.1.480.474
Crotonobetaine/carnitine-CoA ligase0.029
ATP-dependent acyl-CoA ligase0.003
Long-chain-fatty-acid--CoA ligase0.003
AMP-binding protein0.001
Designed by MP, using an AMD MI250 GPU