M9HBZ

Prompt

6.2.1.17

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

AI Generated Sequence

625 AAs
MSEYERVYRESLAEDPEAFWAEQARDLHWHRPFDRVLDSDAPPFYRWFVDGRTNLCYNAVDRHVAARGDQRALIYESPVTGTERRFTYAELHAEVARMAGVLRGLGVRKGDRVVIYMPMVPEAFAAMLACARIGAVHSVVFGGFAAESLAARIDDAGPKLVITASQGERGGRKVPYKPLLDEALALSTHKPRVLIVHDRGGQDAPWAPGRDVDWHALVAEAAPAPVACEPVEATDPLYILYTSGTTGKPKGVVRDHGGYAVALASTMKHVFDIRPGDVFWCASDVGWVVGHSYIVYGPLLAGITTVLYEGKPGVRPDAGAWWRIVDEHRVTTMFTAPTAIRAIRQDGPEVVARHDLSSLRTLFLAGEPLDEPTLRWVHEGIGVPVIDNYWQTETGWPIMATPIGAAELPMKPGSAGVPVPGYDARVLDENGRECPAGEAGMLVLRMPLPGCMRTLWGDDERFVRTYWSRFPGAYYATGDGCRDEDGYFWIMGRTDDVINVAGHRLGTAEIESAVSEHPAVAEAAVVGIPDPLKGQCPYAFVVLKGGVEHGEALRAEINAHVRSQIGPIAAPRNVQFVPGLPKTRSGKILRRTLRAIADGERYGDPSTIDDPAVIDAIRAAIEARG

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

PLDDT86.1
NLMSIM70.0
AACOMP91.2
Seqdif (SeqID)38.5 (WP_191059050.1)
Structdif (F-Target)6.5 (1ry2 A)

ProtNLM

NameScore
Propionyl-CoA synthetase0.521
6.2.1.170.156
Propionate--CoA ligase0.115
Acetyl-coenzyme A synthetase0.068
6.2.1.10.046
Acetyl-CoA synthetase0.030
Designed by MP, using an AMD MI250 GPU