MPSJ1

Prompt

6.2.1.3

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. long-chain-fatty-acid--CoA ligase.

AI Generated Sequence

534 AAs
MTTLTELLRRRAERTDRVALLEDGTLWTYREHVAESAARAAALLAELGVPRPRHVGVLLDNTPEMVLLLAGAGLSGVLVVGINTRLRGPALAHDIRHADCQLIVTDAEHRALLDGLDVPGVRLVDTSAYAAELARRPGELPRFREVAPDDAFMLYFTSGTTGEPKAVRVSHGKLAKGCMTLAQRFGLGPDDVCYLSMPLFHSNAVVAGWVPALAAGASIALRRFSASRFLPEVRRYGATYFNYVGKPLAILLATPERPDDDENLRLAFGNTEAPRDIDAEFRRRFGCEVVEGFGSTEGGAITRTPGDTPAGSLGPLGGVALIDPETTERCPAVDFDDAGALVNPGEAVGELVNTGRGGNFQGYYRNPEATAERMRDRWYHSGDLGYRDADGWLYLAGRTADWMRVDGENLATAPIERVLLRHPDIRRVAVYGVPDPRHGDQVMAAVVLREDAEFDPAAFAEFLAAQPDLGPKAWPLYVRVTTEMPTAGTHKLLKRELVREGVRCDDDDVRWVRGRDVSYRLFDEQRRGLLEGGR

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

PLDDT85.4
NLMSIM70.0
AACOMP90.2
Seqdif (SeqID)40.2 (WP_324389407.1)
Structdif (F-Target)10.0 (3dlp 2)

ProtNLM

NameScore
Acyl-CoA synthetase0.355
AMP-binding protein0.129
Fatty-acyl-CoA synthase0.102
6.2.1.30.101
Long-chain-fatty-acid--CoA ligase FadD170.079
Long-chain fatty acid--CoA ligase0.039
Designed by MP, using an AMD MI250 GPU