MCY64

Prompt

6.2.1.48

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

AI Generated Sequence

518 AAs
MDIIGGQNLRQMWDDLADVYGHKTALIFESSGGVVRNYSYLELNQEIRNTANLFYTLGIRKHDKVAVHLDNCPEFIFCWFGLAKIGAIMVPINARLLREESAWILQNSQACLLVTSAQFYPMYQQIQQEDSTQLRHICLIGDALPADDGVSSFTQLQNRQPATLCYAPPLSTDDTAEILFTSGTTSRPKGVVITHYNLRFAGYYSAWQCALRDDDVYLTVMPAFHIDCQCTAAMAAFSAGATFVLVEKYSARAFWGQARKYRATITECIPMMIRTLMVQPPSANDRQHRLREVMFYLNLSAQEKDAFCERFGVRLLTDYGMTETIVGIIGDRPGDKRRWPSIGRAGFCYEAEIRDDQHRPLPAGEIGEICIKGVPGKNIFKEYFMQPKATAKVLEADGWLHTGDSGYRDEEGFFYFVDRRCNMIKRGGENVSCVELENIIASHPKIQDIVVVGIKDSIRDEAIKAFIVLNEGETLSEEEFFRFCEQNMAKFKVPSYMEIRQDLPRNCSGKIIRKNLSK

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

PLDDT92.2
NLMSIM70.0
AACOMP94.9
Seqdif (SeqID)5.2 (HAX6889597.1)
Structdif (F-Target)6.3 (3day A)

ProtNLM

NameScore
6.2.1.480.580
Crotonobetaine/carnitine--CoA ligase0.393
Crotonobetaine/carnitine-CoA ligase0.014
Long-chain-fatty-acid--CoA ligase0.002
ATP-dependent acyl-CoA ligase0.001
AMP-binding protein0.001
Designed by MP, using an AMD MI250 GPU