MXH99

Prompt

6.2.1.47

Ligases. Forming carbon-sulfur bonds. Acid--thiol ligases. medium-chain-fatty-acid--[acyl-carrier-protein] ligase.

AI Generated Sequence

536 AAs
MTTTLAQLLLDRAGDHDVALLFEGRTWTWREHVAEGAARAAALLAERDPRRPLHVGVLLDNTPEMLTLLAGAGLSGYVVCGINTGRRGEALARDIRHADCQLLVTDEAHRELLDGLDLPGVRVVDTSPEWAAELARHAEAVPAREVAPDDTFMLIFTSGTSGEPKAVRCTHGKIAWAGMTAAQRFGLTPDDVCYTSMPLFHSNAVMAGWAVALAAGATIALRPKFSASRFLPDVRRYGATYTNYVGKPLAYILATPERPDDADNPLRVAFGNEASREDIERFRERFGCRVVDGFGSTEGGAIVTRTPDTPAGSIGRGLDGVAIYNPETRTECPPAVFDEHGRLVNADEAVGELVNTGSGPGFTGYYKNPEATAERMRDGMYWSGDLAYRDADGWIYLAGRLADWMRVDGENLATAPIERVLLRHPDITRVAVYAVPDPRVGDQVMAAIVLREDAEFDPAAFARFLAQQPDLGPKAWPRFVRITADLPVTATNKVLKRELVRQGWECDEDPVYWRRGRDVSYRRFDEQTRALLERRG

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

PLDDT89.3
NLMSIM65.0
AACOMP90.9
Seqdif (SeqID)32.8 (WP_270720098.1)
Structdif (F-Target)10.8 (3dlp 2)

ProtNLM

NameScore
Acyl-CoA synthetase0.483
Fatty-acyl-CoA synthase0.106
6.2.1.30.101
AMP-binding protein0.099
Long-chain-fatty-acid--CoA ligase FadD170.076
AMP-dependent synthetase and ligase0.010
Designed by MP, using an AMD MI250 GPU