MD2QK

Prompt

6.2.1.17

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

AI Generated Sequence

623 AAs
MSDYREAYRHSWEDPEAFWAEQAERIHWTKPWDRVLDDSSPPFYKWFGDGVLNTCYNALDRHVLGGRGDQAAIYHESPMTGVTRTYTYAELHAEVNRCAGVLKSLGVKKGDRVVIYMPMIPEAVIAMLACARIGAVHSVVFGGFAAHELATRIDDAKPKLIVTASCGLEGGRVIEYKPLLDEALKLSTHKPEHCIVWQRDGQDVPMLNGRDLDWHELMAKAGAEPCPVEVKASEDPLYILYTSGTTGKPKGVVRHGGYAVALAWTMERIYDQQPGDVFWTASDVGWVVGHSYIVYGPLLAGATTVLYEGKPVGTPDAGAFWRIVEEHKVNTLFTAPTAIRAIKKHDPEGLVKKYDLSSLRFLFLAGERLDPATYHWVKDILKVPVIDHWWQTETGWPIAATNIGLEETPLKPGSPTKPVPGYDVQILDENGEELPGEQNGLLILKLPLPPGCMRTIWGDDERFVQSYFSKFPGYYLTGDYGIRDEDGYIWVMGRTDDVINVAGHRLSTGAMEEVLSEHPAVAECAVVGIHDELKGQVPCGFVVLKGGVETSEELKKELIQHVRSEIGPIAKPKAFQVVGQLPKTRSGKILRRTLKQIAEGEELGLPSTIDDPAVIELLKEGLK

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

PLDDT85.0
NLMSIM60.0
AACOMP93.8
Seqdif (SeqID)33.7 (RMG94050.1)
Structdif (F-Target)5.5 (1ry2 A)

ProtNLM

NameScore
Propionyl-CoA synthetase0.605
6.2.1.170.144
Acetyl-coenzyme A synthetase0.067
Propionate--CoA ligase0.061
6.2.1.10.044
Acetyl-CoA synthetase0.024
Designed by MP, using an AMD MI250 GPU