MJWF4

Prompt

6.2.1.17

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

AI Generated Sequence

500 AAs
MTHAEFYRRSIDDPEAFWAEQADRIDWTKPFDRVLDWSRPPFARWFVGGRTNLCYNAVDRWVAERGDQVALIAVSSTETGVERFTFAELHAEVNRVAAMVRELGVRKGDRVVIYLPMIAEAVFAMLACARIGAIHSVVFGGFAAHSLATRIDDAAPAVVVSADCGLRGGKVIPYKPLLDEAIAMSTHKPPRVLLVDRGLARMAWTEGRDVDWEALRAAVPAQVPCVWLESNEPLYILHYSGTTGKPKGVQRDVGGYAVALATSMKHIFDGEPGEVFFTTSDIGWVVGHSYIVYGPLLAGMTTVLYEGTPVRPDAGAWWRIVEEHRVTAMFTAPTAIRVLKKFDPALVAKYDLSSLRTLFLAGEPLDEPTADWVTRTLGVPVIDNYWQTETGWPIMAVPRGLEELPPKPGSPGKPVYGYDVRLLDETGEECPAGEKGIIAVELPLPPGCMTTIWKDHERFVTSYWSQFPGKVYETFDWGIRDEGYVYILGRTDDVINVAGH

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

PLDDT88.1
NLMSIM80.0
AACOMP92.7
Seqdif (SeqID)28.9 (TWG86710.1)
Structdif (F-Target)5.2 (7kdn C)

ProtNLM

NameScore
Propionate--CoA ligase0.426
6.2.1.170.272
Propionyl-CoA synthetase0.176
Acetyl-coenzyme A synthetase0.043
6.2.1.10.020
Acetate--CoA ligase0.012
Designed by MP, using an AMD MI250 GPU