M1T0Z

Prompt

6.2.1.48

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

AI Generated Sequence

499 AAs
MDIIGGQHLRQMWDLVADVYGDHTALIFESGGVVRNYSYSYLNQEINRTANLFYTLGIRKGDKVALHLDNCPEFIFTWFGLAKIGAIMVPINARLLGEESAWILQNSQVCLLVTSAQFLPMYRQIQREDSTPLRHICITVDQLPADDGVSHFTQLKNRQPATLCYTPPLSTDDTAEILFTSGTTSRPKGVVITHYNLRFAGYYSAWQIALRDDDVYLTVMPAFHIDCQCTAAMPAFSAGSTFVLLEKYSARAFWGQVTKYRATITECIPMMIRTLMVQPPSANDRQHHLREVMFYLNLSAQEKDAFCERFGVRLLTSYGMTETIVGIIGDRPGDKRRWPSIGRAGFSYEAEIRDDQNRPLPAGEIGEICIKGIPGKTIFKEYFMNPKATAKALEADGWLHTGDTGYRDEEGFFYFVDRRCNMIKRGGENVSCVELENIIATHPKIQDIVVIGIKDSIRDEAIKAFIVLRNGETLSEEEFFRFCENNMAKFKVPSYELIR

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

PLDDT92.1
NLMSIM70.0
AACOMP94.8
Seqdif (SeqID)8.6 (WP_097422761.1)
Structdif (F-Target)6.7 (3day A)

ProtNLM

NameScore
Crotonobetaine/carnitine--CoA ligase0.491
6.2.1.480.463
Crotonobetaine/carnitine-CoA ligase0.028
ATP-dependent acyl-CoA ligase0.002
Long-chain-fatty-acid--CoA ligase0.002
AMP-binding protein0.001
Designed by MP, using an AMD MI250 GPU