MA88U

Prompt

6.2.1.17

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

AI Generated Sequence

624 AAs
MSYFEFYRRSIEDPEAFWAEQAQAIDWHKPFTQILDHSRPPFARWFVGGKTNLCHNAVDRHLAERADQAALIAVSTETGVERTYTFSELHQEVNAFAAVLRGLGVGKGDRVLIYMPMIAEAAFAMLACARIGAIHSVVFGGFAAHSLAARIDDAAPKLIVSADAGARGGKVIPYKPLLDEALALATHKPEHVLIVDRGLAEMAWVPGRDVDYAELRAAGVAAHVPVEWLESNEPLCILYTSGTTGKPKGVQRDVGGYAVALATSMKHIFDGKPGEVFFTASDIGWVVGHSYIVYAPLLAGMATVLYEGLPIRPDAGVWWRIVEKYRVNTMFSAPTAIRVLKKQPAELVQKHDLSSLKALYLAGEPLDEPTAHWISEGLGVPVIDNYWQTETGWPIAALPRGIEELPIKFGSPGFPVMGYNVKLVDETGEELCPNEKGVLAIEGPLPPGCMQTIWGDDDRFVKTYWSQFKGKLVEYSTFDWGIRDEDGYFTILGRTDDVINIAGHRLGTREIEESIASHPSVAEVAVIGVADALKGQVAVAFVTLKQAAEELGEELTRAEIMKRVDEQLGAIARPARVHFVSALPKTRSGKLLRRTIQAIAEGRDPGDLSTIDDPAALDEIRAAL

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

PLDDT86.9
NLMSIM95.0
AACOMP94.4
Seqdif (SeqID)28.2 (WP_146330266.1)
Structdif (F-Target)6.1 (1ry2 A)

ProtNLM

NameScore
Propionate--CoA ligase0.475
Propionyl-CoA synthetase0.219
6.2.1.170.212
Acetyl-coenzyme A synthetase0.023
6.2.1.10.014
Acetyl-CoA synthetase0.009
Designed by MP, using an AMD MI250 GPU